#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz4 h LEU 72 N 0.00 0.21 -0.74 1.08 3.38 -2.03 -3.15 115.31 114.06 3kz4 h LEU 72 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kz4 h LEU 72 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kz4 h LEU 72 CO 0.00 0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.94 3kz4 n LEU 73 N -4.92 0.04 0.00 1.67 4.77 -1.26 -1.71 117.00 115.59 3kz4 n LEU 73 Ca -0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3kz4 n LEU 73 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kz4 n LEU 73 CO 0.34 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.62 3kz4 n GLU 74 N 0.22 0.00 0.00 3.23 2.13 -1.19 -4.71 120.64 120.32 3kz4 n GLU 74 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3kz4 n GLU 74 Cb 0.01 -0.10 0.08 0.00 0.27 0.00 0.00 31.44 31.70 3kz4 n GLU 74 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kz4 n VAL 75 N 0.00 0.00 -2.32 6.31 0.31 -0.69 -4.20 118.33 117.73 3kz4 n VAL 75 Ca 0.00 -0.46 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 3kz4 n VAL 75 Cb 0.07 1.44 0.04 0.00 -0.91 0.00 0.00 33.84 34.48 3kz4 n VAL 75 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kz4 n LEU 76 N 1.05 3.30 0.00 7.52 4.77 -1.08 -3.73 117.00 128.83 3kz4 n LEU 76 Ca 0.13 -3.89 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 3kz4 n LEU 76 Cb 0.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3kz4 n LEU 76 CO 0.17 1.57 0.14 1.17 -1.33 0.00 0.00 177.39 179.11 3kz4 n LYS 77 N -0.63 0.00 0.00 3.23 4.81 -1.26 -4.58 118.16 119.72 3kz4 n LYS 77 Ca 0.26 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3kz4 n LYS 77 Cb 0.90 -0.37 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3kz4 n LYS 77 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3kz4 n THR 78 N 0.00 0.00 1.27 3.15 -1.04 -1.26 -4.44 114.28 111.97 3kz4 n THR 78 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3kz4 n THR 78 Cb 0.45 -0.65 0.33 0.00 -1.82 0.00 0.00 70.33 68.64 3kz4 n THR 78 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kz4 n LYS 79 N -1.56 1.92 -2.28 -2.82 4.81 -1.24 -3.85 118.16 113.14 3kz4 n LYS 79 Ca 0.00 -1.36 -0.11 0.00 -0.87 0.00 0.00 58.31 55.97 3kz4 n LYS 79 Cb 0.34 -1.47 0.04 0.00 0.02 0.00 0.00 35.03 33.96 3kz4 n LYS 79 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3kz4 n GLU 80 N 0.65 2.58 -1.91 1.64 1.02 -1.26 -4.14 120.64 119.21 3kz4 n GLU 80 Ca 0.17 -3.76 -0.04 0.00 -0.02 0.00 0.00 57.16 53.50 3kz4 n GLU 80 Cb 0.46 -1.87 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 3kz4 n GLU 80 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kz4 n GLU 81 N -0.63 0.74 0.14 3.49 1.02 -1.25 -4.42 120.64 119.73 3kz4 n GLU 81 Ca 0.26 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 3kz4 n GLU 81 Cb 0.89 0.38 0.00 0.00 -0.02 0.00 0.00 31.44 32.69 3kz4 n GLU 81 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3kz4 n HIS 82 N -0.78 -2.43 0.28 -0.32 -0.00 -1.26 -4.44 115.22 106.28 3kz4 n HIS 82 Ca -0.21 0.46 -0.16 0.00 0.46 0.00 0.00 57.72 58.26 3kz4 n HIS 82 Cb 0.81 0.71 -0.08 0.00 -0.12 0.00 0.00 29.99 31.31 3kz4 n HIS 82 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 3kz4 h GLN 83 N 0.00 -0.71 -0.73 1.57 4.20 -1.87 0.24 115.11 117.82 3kz4 h GLN 83 Ca 0.00 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.84 3kz4 h GLN 83 Cb 0.00 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 3kz4 h GLN 83 CO 0.00 -0.47 0.39 -0.22 -0.67 0.00 0.00 178.83 177.86 3kz4 h LYS 84 N -0.73 0.66 0.00 1.46 3.64 -1.88 -2.84 116.57 116.89 3kz4 h LYS 84 Ca -0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3kz4 h LYS 84 Cb 0.60 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3kz4 h LYS 84 CO 0.06 0.44 0.00 0.39 -2.27 0.00 0.00 179.45 178.07 3kz4 n GLU 85 N -4.80 0.00 -0.15 1.90 -0.58 -0.75 -1.07 120.64 115.18 3kz4 n GLU 85 Ca 0.11 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.91 3kz4 n GLU 85 Cb 0.24 -0.93 0.12 0.00 -0.57 0.00 0.00 31.44 30.30 3kz4 n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3kz4 n ILE 86 N -0.48 -0.19 -0.00 -3.67 5.41 0.78 0.48 119.36 121.69 3kz4 n ILE 86 Ca 0.00 0.98 -0.12 0.00 1.00 0.00 0.00 62.75 64.61 3kz4 n ILE 86 Cb 0.00 -1.43 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 3kz4 n ILE 86 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3kz4 h GLN 87 N 0.00 -0.07 0.00 0.38 4.20 -1.55 0.19 115.11 118.26 3kz4 h GLN 87 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3kz4 h GLN 87 Cb 0.52 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kz4 h GLN 87 CO -0.42 0.51 0.40 1.88 -0.67 0.00 0.00 178.83 180.52 3kz4 h TYR 88 N -0.72 0.00 0.03 2.96 -1.99 0.17 0.31 116.97 117.73 3kz4 h TYR 88 Ca -0.01 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 3kz4 h TYR 88 Cb 0.61 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.28 3kz4 h TYR 88 CO 0.13 0.00 -2.30 -1.91 -0.00 0.00 0.00 178.16 174.08 3kz4 n GLU 89 N -2.39 0.66 0.17 4.88 2.13 -0.50 -3.53 120.64 122.06 3kz4 n GLU 89 Ca -0.01 0.22 0.06 0.00 0.66 0.00 0.00 57.16 58.10 3kz4 n GLU 89 Cb 0.42 -1.57 0.35 0.00 0.27 0.00 0.00 31.44 30.90 3kz4 n GLU 89 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3kz4 h ILE 90 N -0.22 0.00 0.03 6.31 2.04 0.28 1.07 117.51 127.02 3kz4 h ILE 90 Ca -0.55 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.04 3kz4 h ILE 90 Cb 1.84 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3kz4 h ILE 90 CO -0.11 0.00 -1.46 -0.11 0.00 0.00 0.00 178.15 176.46 3kz4 n LEU 91 N -2.06 2.05 0.05 1.44 7.94 -0.92 -4.04 117.00 121.46 3kz4 n LEU 91 Ca -0.01 0.37 0.03 0.00 -1.11 0.00 0.00 56.01 55.29 3kz4 n LEU 91 Cb 0.35 -1.00 0.15 0.00 0.53 0.00 0.00 43.42 43.45 3kz4 n LEU 91 CO 0.06 0.42 0.60 1.67 -1.11 0.00 0.00 177.39 179.03 3kz4 n GLN 92 N -4.20 0.04 0.00 1.96 -0.06 0.36 0.17 117.38 115.65 3kz4 n GLN 92 Ca -0.33 0.45 0.14 0.00 -2.00 0.00 0.00 57.00 55.27 3kz4 n GLN 92 Cb 0.77 -1.75 0.54 0.00 -4.06 0.00 0.00 30.24 25.74 3kz4 n GLN 92 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3kz4 n LYS 93 N -1.62 1.47 -0.24 3.69 5.02 -0.80 -2.98 118.16 122.70 3kz4 n LYS 93 Ca -0.00 -0.81 0.06 0.00 -2.02 0.00 0.00 58.31 55.54 3kz4 n LYS 93 Cb 0.15 -1.48 0.18 0.00 -0.02 0.00 0.00 35.03 33.85 3kz4 n LYS 93 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kz4 n THR 94 N -0.05 1.34 -3.75 -0.18 -1.04 0.45 -4.54 114.28 106.51 3kz4 n THR 94 Ca 0.18 -1.24 -0.30 0.00 -2.04 0.00 0.00 64.05 60.66 3kz4 n THR 94 Cb 0.34 0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 69.00 3kz4 n THR 94 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kz4 s ILE 95 N -1.49 1.17 -0.29 12.58 1.01 -1.16 -4.56 121.20 128.45 3kz4 s ILE 95 Ca 0.27 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.00 3kz4 s ILE 95 Cb 0.18 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.70 3kz4 s ILE 95 CO 0.13 -0.74 1.45 -2.65 0.00 0.00 0.00 174.94 173.13 3kz4 n PRO 96 N 4.39 0.65 -3.88 2.79 -0.02 -1.25 -4.79 135.00 132.89 3kz4 n PRO 96 Ca 0.02 -0.93 -0.35 0.00 -2.02 0.00 0.00 63.50 60.21 3kz4 n PRO 96 Cb 0.40 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 3kz4 n PRO 96 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kz4 s THR 97 N 4.93 3.54 0.26 3.45 2.01 -1.26 -3.68 115.64 124.89 3kz4 s THR 97 Ca 0.26 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 3kz4 s THR 97 Cb 0.06 -2.64 -0.14 0.00 0.01 0.00 0.00 72.50 69.79 3kz4 s THR 97 CO 0.06 0.38 1.08 0.49 -0.69 0.00 0.00 174.62 175.94 3kz4 n PHE 98 N 4.82 1.36 0.00 4.92 3.01 -1.26 -4.90 117.46 125.40 3kz4 n PHE 98 Ca -0.18 0.68 0.00 0.00 1.01 0.00 0.00 57.45 58.96 3kz4 n PHE 98 Cb 0.51 -2.27 0.00 0.00 -0.01 0.00 0.00 39.48 37.70 3kz4 n PHE 98 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3kz4 n GLU 99 N 1.05 0.00 -1.69 -1.08 4.07 -1.26 -4.71 120.64 117.03 3kz4 n GLU 99 Ca 0.11 0.61 -0.39 0.00 -0.06 0.00 0.00 57.16 57.43 3kz4 n GLU 99 Cb 0.30 -1.38 0.04 0.00 -0.06 0.00 0.00 31.44 30.35 3kz4 n GLU 99 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3kz4 n PRO 100 N -2.04 1.37 0.00 5.31 -0.02 -1.26 -4.95 135.00 133.41 3kz4 n PRO 100 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kz4 n PRO 100 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3kz4 n PRO 100 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kz4 n LYS 101 N -0.91 0.00 -0.28 -0.52 5.02 -1.26 -3.86 118.16 116.35 3kz4 n LYS 101 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 3kz4 n LYS 101 Cb 0.45 -0.93 0.16 0.00 -0.02 0.00 0.00 35.03 34.69 3kz4 n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kz4 n GLU 102 N -0.48 -0.07 -0.34 1.97 1.02 -1.26 -1.30 120.64 120.18 3kz4 n GLU 102 Ca 0.00 1.22 0.29 0.00 -0.02 0.00 0.00 57.16 58.65 3kz4 n GLU 102 Cb 0.00 -1.87 0.49 0.00 -0.02 0.00 0.00 31.44 30.04 3kz4 n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kz4 n SER 103 N -5.23 0.16 0.21 1.62 2.88 -1.25 -0.34 113.62 111.67 3kz4 n SER 103 Ca 0.15 1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 3kz4 n SER 103 Cb 0.49 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 3kz4 n SER 103 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3kz4 h ILE 104 N 0.00 0.61 -0.72 2.46 2.04 -1.36 -3.32 117.51 117.21 3kz4 h ILE 104 Ca 0.64 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 66.22 3kz4 h ILE 104 Cb 2.04 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.81 3kz4 h ILE 104 CO -0.36 0.06 -0.43 -0.11 0.00 0.00 0.00 178.15 177.32 3kz4 n LEU 105 N -5.23 -0.77 -0.26 1.44 7.94 0.53 -0.30 117.00 120.36 3kz4 n LEU 105 Ca -0.10 1.36 -0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3kz4 n LEU 105 Cb 0.27 -0.20 0.07 0.00 0.53 0.00 0.00 43.42 44.08 3kz4 n LEU 105 CO 0.33 -1.08 0.68 0.50 -1.11 0.00 0.00 177.39 176.71 3kz4 h LYS 106 N 0.00 -0.04 -0.41 1.96 1.63 -1.69 0.19 116.57 118.21 3kz4 h LYS 106 Ca 0.12 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.04 3kz4 h LYS 106 Cb 0.30 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3kz4 h LYS 106 CO -0.68 -0.03 0.79 0.87 -3.45 0.00 0.00 179.45 176.96 3kz4 h LYS 107 N -0.04 0.00 0.00 1.90 1.79 -0.77 0.12 116.57 119.57 3kz4 h LYS 107 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 3kz4 h LYS 107 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3kz4 h LYS 107 CO -0.77 0.00 -0.74 1.28 -1.08 0.00 0.00 179.45 178.13 3kz4 n LEU 108 N -3.09 1.83 0.22 2.94 7.99 0.64 -3.73 117.00 123.78 3kz4 n LEU 108 Ca 0.08 0.47 0.16 0.00 -0.01 0.00 0.00 56.01 56.72 3kz4 n LEU 108 Cb 0.94 -0.80 0.68 0.00 -0.11 0.00 0.00 43.42 44.13 3kz4 n LEU 108 CO 0.16 -0.37 1.14 -0.33 -1.51 0.00 0.00 177.39 176.48 3kz4 h GLU 109 N -0.97 0.00 0.00 3.23 5.08 -1.29 0.34 114.58 120.97 3kz4 h GLU 109 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3kz4 h GLU 109 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3kz4 h GLU 109 CO 0.00 0.00 -0.32 0.22 -1.00 0.00 0.00 179.01 177.91 3kz4 h ASP 110 N 0.00 0.00 -3.06 1.42 1.82 -0.93 -3.45 116.42 112.22 3kz4 h ASP 110 Ca 0.10 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.18 3kz4 h ASP 110 Cb 1.11 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 3kz4 h ASP 110 CO -0.00 0.32 0.73 -0.63 -1.61 0.00 0.00 179.24 178.05 3kz4 s ILE 111 N -3.11 4.29 -0.33 2.25 1.01 0.12 -4.92 121.20 120.51 3kz4 s ILE 111 Ca 0.05 1.60 0.06 0.00 0.00 0.00 0.00 60.65 62.36 3kz4 s ILE 111 Cb 0.07 -4.03 0.45 0.00 0.01 0.00 0.00 42.46 38.96 3kz4 s ILE 111 CO 0.71 -0.03 1.24 1.17 0.00 0.00 0.00 174.94 178.04 3kz4 n LYS 112 N 5.46 3.53 -0.17 2.79 4.81 -1.26 -4.90 118.16 128.43 3kz4 n LYS 112 Ca 0.11 -4.14 0.04 0.00 -0.87 0.00 0.00 58.31 53.46 3kz4 n LYS 112 Cb 0.46 -2.28 0.09 0.00 0.02 0.00 0.00 35.03 33.32 3kz4 n LYS 112 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3kz4 n PRO 113 N -0.70 -0.04 -1.69 1.64 -0.02 -1.26 -4.29 135.00 128.65 3kz4 n PRO 113 Ca 0.45 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 62.23 3kz4 n PRO 113 Cb 0.91 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 33.26 3kz4 n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kz4 n GLU 114 N -4.69 2.82 -3.81 -0.52 1.02 -1.26 -4.98 120.64 109.22 3kz4 n GLU 114 Ca 0.09 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 58.13 3kz4 n GLU 114 Cb 0.28 -2.93 -0.12 0.00 -0.02 0.00 0.00 31.44 28.65 3kz4 n GLU 114 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3kz4 s GLN 115 N 3.03 0.28 0.25 3.49 -2.07 -1.26 -5.04 119.66 118.33 3kz4 s GLN 115 Ca 0.83 0.17 -0.24 0.00 -1.82 0.00 0.00 55.36 54.30 3kz4 s GLN 115 Cb -0.47 0.13 -0.09 0.00 -1.09 0.00 0.00 33.01 31.49 3kz4 s GLN 115 CO 0.38 -0.04 0.83 0.00 -1.32 0.00 0.00 175.29 175.14 3kz4 s ALA 116 N -0.14 3.34 -0.05 2.60 0.00 -1.26 -5.06 121.76 121.19 3kz4 s ALA 116 Ca -0.02 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3kz4 s ALA 116 Cb -0.02 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.12 3kz4 s ALA 116 CO 0.01 0.26 0.03 0.15 0.00 0.00 0.00 175.76 176.20 3kz4 s LYS 117 N -1.80 0.23 0.00 0.00 -0.14 -1.26 -5.07 119.74 111.70 3kz4 s LYS 117 Ca 0.44 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.29 3kz4 s LYS 117 Cb -0.19 -0.67 0.00 0.00 -1.68 0.00 0.00 37.83 35.29 3kz4 s LYS 117 CO 0.24 -0.29 0.00 1.17 -0.76 0.00 0.00 175.35 175.71 3kz4 n LYS 118 N 5.07 0.29 -3.49 1.68 4.81 -1.26 -3.27 118.16 121.99 3kz4 n LYS 118 Ca -0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.26 3kz4 n LYS 118 Cb 0.50 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 3kz4 n LYS 118 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3kz4 s GLN 119 N -1.71 0.93 0.00 1.64 -2.07 -1.26 -4.85 119.66 112.33 3kz4 s GLN 119 Ca 0.00 -0.26 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3kz4 s GLN 119 Cb 0.00 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 3kz4 s GLN 119 CO 0.00 -0.39 0.00 2.41 -1.32 0.00 0.00 175.29 175.99 3kz4 n THR 120 N -0.11 0.00 -1.43 3.63 -1.04 -1.26 -4.91 114.28 109.16 3kz4 n THR 120 Ca -0.12 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.40 3kz4 n THR 120 Cb 0.62 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.62 3kz4 n THR 120 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3kz4 n LYS 121 N -0.01 0.07 -0.31 -2.82 2.85 -1.26 -4.84 118.16 111.85 3kz4 n LYS 121 Ca 0.00 0.03 0.04 0.00 -1.05 0.00 0.00 58.31 57.33 3kz4 n LYS 121 Cb 0.00 -1.13 0.19 0.00 -0.65 0.00 0.00 35.03 33.43 3kz4 n LYS 121 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3kz4 h LEU 122 N 1.42 0.72 -1.91 -5.58 3.38 -1.98 -3.48 115.31 107.88 3kz4 h LEU 122 Ca -0.33 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kz4 h LEU 122 Cb 1.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3kz4 h LEU 122 CO 0.59 0.40 -0.08 0.33 0.09 0.00 0.00 178.44 179.77 3kz4 n PHE 123 N -4.73 -0.37 -3.50 1.13 7.35 -1.26 -4.83 117.46 111.25 3kz4 n PHE 123 Ca 0.15 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 3kz4 n PHE 123 Cb 0.30 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3kz4 n PHE 123 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3kz4 n ARG 124 N 0.14 0.00 0.00 -4.13 1.85 -1.26 -4.80 116.66 108.46 3kz4 n ARG 124 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kz4 n ARG 124 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kz4 n ARG 124 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3kz4 n ILE 125 N 0.00 0.00 -4.65 8.89 -0.00 -1.26 -5.04 119.36 117.29 3kz4 n ILE 125 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.46 3kz4 n ILE 125 Cb 0.00 -0.90 -0.17 0.00 -0.00 0.00 0.00 39.64 38.57 3kz4 n ILE 125 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 3kz4 s PHE 126 N -1.97 2.08 0.38 1.39 -0.00 -1.26 -1.47 117.98 117.13 3kz4 s PHE 126 Ca 0.00 -0.94 0.02 0.00 -0.00 0.00 0.00 56.93 56.02 3kz4 s PHE 126 Cb 0.00 -1.47 -0.02 0.00 -0.00 0.00 0.00 43.02 41.54 3kz4 s PHE 126 CO 0.00 -0.45 0.56 -1.83 -0.00 0.00 0.00 175.22 173.51 3kz4 s GLU 127 N 0.78 3.23 -0.14 1.99 -1.05 -1.17 -4.86 118.70 117.48 3kz4 s GLU 127 Ca -0.10 -0.58 -0.05 0.00 -0.15 0.00 0.00 54.97 54.08 3kz4 s GLU 127 Cb -0.16 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.82 3kz4 s GLU 127 CO 0.01 -0.01 0.03 -1.25 0.95 0.00 0.00 175.26 174.99 3kz4 s PRO 128 N -4.35 3.60 0.32 -4.83 0.04 -1.26 -2.83 135.00 125.69 3kz4 s PRO 128 Ca 0.44 -0.37 0.09 0.00 0.04 0.00 0.00 61.00 61.19 3kz4 s PRO 128 Cb -0.10 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 3kz4 s PRO 128 CO 0.35 0.44 0.06 1.03 0.04 0.00 0.00 177.00 178.92 3kz4 s ARG 129 N -0.12 2.25 0.79 4.56 0.52 -1.03 -4.96 118.95 120.96 3kz4 s ARG 129 Ca 0.06 -1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 53.56 3kz4 s ARG 129 Cb -0.12 -2.08 0.07 0.00 0.52 0.00 0.00 34.95 33.33 3kz4 s ARG 129 CO 0.02 0.17 1.15 -0.65 0.02 0.00 0.00 175.30 176.01 3kz4 s GLN 130 N -3.76 2.12 -0.12 3.54 -0.21 -1.26 -2.77 119.66 117.19 3kz4 s GLN 130 Ca 0.35 0.27 -0.29 0.00 0.02 0.00 0.00 55.36 55.71 3kz4 s GLN 130 Cb -0.02 -1.95 0.08 0.00 1.00 0.00 0.00 33.01 32.11 3kz4 s GLN 130 CO 0.21 -1.52 0.76 -0.51 -2.12 0.00 0.00 175.29 172.12 3kz4 s LEU 131 N -5.59 -0.61 0.10 2.90 1.43 -1.13 -4.88 118.68 110.91 3kz4 s LEU 131 Ca 0.61 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 3kz4 s LEU 131 Cb -0.12 2.37 -0.06 0.00 0.03 0.00 0.00 46.19 48.41 3kz4 s LEU 131 CO 0.51 -0.47 1.06 -2.16 0.23 0.00 0.00 176.35 175.52 3kz4 s PRO 132 N -0.82 4.58 -0.13 1.29 0.04 -1.26 -3.57 135.00 135.13 3kz4 s PRO 132 Ca -0.07 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.60 3kz4 s PRO 132 Cb -0.01 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3kz4 s PRO 132 CO 0.06 0.02 -0.19 0.42 0.04 0.00 0.00 177.00 177.35 3kz4 s ILE 133 N 0.32 1.82 -0.21 0.56 1.01 -1.26 -4.85 121.20 118.59 3kz4 s ILE 133 Ca 0.51 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3kz4 s ILE 133 Cb -0.26 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3kz4 s ILE 133 CO 0.31 0.50 -0.04 -0.31 0.00 0.00 0.00 174.94 175.40 3kz4 s TYR 134 N 0.90 2.96 1.07 3.97 1.51 -0.70 -1.57 117.35 125.48 3kz4 s TYR 134 Ca -0.07 -0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 55.01 3kz4 s TYR 134 Cb -0.15 -2.08 0.20 0.00 -0.11 0.00 0.00 41.96 39.82 3kz4 s TYR 134 CO -0.02 -0.49 0.88 2.89 -1.11 0.00 0.00 175.55 177.70 3kz4 n ARG 135 N 4.63 -1.52 -1.65 -0.62 0.00 -1.26 -4.31 116.66 111.93 3kz4 n ARG 135 Ca -0.18 -0.40 -0.52 0.00 -0.00 0.00 0.00 57.85 56.75 3kz4 n ARG 135 Cb 0.51 -2.15 -0.06 0.00 -0.00 0.00 0.00 32.46 30.76 3kz4 n ARG 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kz4 n ALA 136 N -4.56 -0.03 -2.76 2.89 0.00 -1.26 0.26 120.51 115.04 3kz4 n ALA 136 Ca 0.06 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 3kz4 n ALA 136 Cb 0.54 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.78 3kz4 n ALA 136 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kz4 n ASN 137 N 4.09 -5.94 -4.80 0.00 2.85 -1.26 -4.95 115.26 105.24 3kz4 n ASN 137 Ca 0.21 -0.18 -0.22 0.00 -0.11 0.00 0.00 54.58 54.27 3kz4 n ASN 137 Cb 0.21 -4.83 -0.05 0.00 1.24 0.00 0.00 39.78 36.34 3kz4 n ASN 137 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3kz4 s GLY 138 N -2.48 2.12 0.21 8.20 0.00 0.72 -4.91 107.32 111.19 3kz4 s GLY 138 Ca 0.18 -1.91 0.03 0.00 0.00 0.00 0.00 44.72 43.02 3kz4 s GLY 138 CO 0.23 -1.76 0.25 1.18 0.00 0.00 0.00 173.10 173.00 3kz4 n GLU 139 N -1.36 0.96 -1.70 2.90 4.71 -1.26 -2.43 120.64 122.46 3kz4 n GLU 139 Ca 0.00 -1.21 -0.25 0.00 -0.01 0.00 0.00 57.16 55.69 3kz4 n GLU 139 Cb 0.62 -0.02 -0.05 0.00 -1.01 0.00 0.00 31.44 30.99 3kz4 n GLU 139 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3kz4 s LYS 140 N -2.94 2.02 0.22 3.49 -0.14 -1.26 -3.94 119.74 117.19 3kz4 s LYS 140 Ca 0.19 0.63 0.01 0.00 -1.36 0.00 0.00 55.97 55.44 3kz4 s LYS 140 Cb -0.02 -4.73 0.04 0.00 -1.68 0.00 0.00 37.83 31.45 3kz4 s LYS 140 CO 0.12 -3.73 0.71 -1.91 -0.76 0.00 0.00 175.35 169.78 3kz4 n GLU 141 N 8.93 0.01 0.00 1.68 2.13 -0.61 -4.62 120.64 128.16 3kz4 n GLU 141 Ca 0.40 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3kz4 n GLU 141 Cb 0.48 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.02 3kz4 n GLU 141 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kz4 n LEU 142 N -1.53 0.00 -4.77 4.31 4.77 -1.26 -5.03 117.00 113.49 3kz4 n LEU 142 Ca -0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3kz4 n LEU 142 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3kz4 n LEU 142 CO 0.00 0.00 0.78 -0.60 -1.33 0.00 0.00 177.39 176.24 3kz4 s ARG 143 N 0.00 3.35 -0.51 3.23 3.52 -1.26 -5.00 118.95 122.28 3kz4 s ARG 143 Ca 0.00 1.60 0.04 0.00 -0.13 0.00 0.00 55.73 57.24 3kz4 s ARG 143 Cb 0.00 -2.01 0.17 0.00 -1.56 0.00 0.00 34.95 31.55 3kz4 s ARG 143 CO 0.00 -0.85 0.39 -0.80 -0.81 0.00 0.00 175.30 173.23 3kz4 s ASN 144 N -1.80 2.53 0.88 -2.12 0.01 -1.26 -3.99 114.94 109.19 3kz4 s ASN 144 Ca 0.72 -3.32 -0.13 0.00 -0.71 0.00 0.00 52.86 49.42 3kz4 s ASN 144 Cb -0.24 -0.82 0.05 0.00 0.41 0.00 0.00 41.25 40.65 3kz4 s ASN 144 CO 0.27 -0.14 0.71 0.54 -1.51 0.00 0.00 177.10 176.97 3kz4 n ARG 145 N 2.56 -0.15 -3.53 -0.60 1.74 -1.23 -4.30 116.66 111.14 3kz4 n ARG 145 Ca 0.27 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.98 3kz4 n ARG 145 Cb 0.44 -2.06 -0.10 0.00 -1.02 0.00 0.00 32.46 29.72 3kz4 n ARG 145 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3kz4 s TRP 146 N -2.32 3.28 0.31 -1.55 0.52 -1.26 -2.82 118.94 115.10 3kz4 s TRP 146 Ca 0.63 0.30 0.10 0.00 0.02 0.00 0.00 56.10 57.15 3kz4 s TRP 146 Cb -0.25 -2.41 -0.06 0.00 -1.15 0.00 0.00 33.47 29.60 3kz4 s TRP 146 CO 0.61 -0.08 -0.13 0.71 0.02 0.00 0.00 176.95 178.08 3kz4 s TYR 147 N 1.54 2.32 0.03 -1.98 1.51 -1.12 -2.25 117.35 117.40 3kz4 s TYR 147 Ca 0.11 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 3kz4 s TYR 147 Cb -0.15 -1.22 -0.06 0.00 -0.11 0.00 0.00 41.96 40.42 3kz4 s TYR 147 CO 0.08 0.60 0.44 -1.58 -1.11 0.00 0.00 175.55 173.99 3kz4 s TRP 148 N -2.61 3.73 0.04 2.71 0.52 -1.04 -2.46 118.94 119.83 3kz4 s TRP 148 Ca 0.31 1.03 -0.05 0.00 0.02 0.00 0.00 56.10 57.42 3kz4 s TRP 148 Cb -0.00 -2.32 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 3kz4 s TRP 148 CO 0.15 0.62 0.07 0.15 0.02 0.00 0.00 176.95 177.97 3kz4 s LYS 149 N -1.18 0.56 -0.17 4.98 -0.14 -1.13 -4.64 119.74 118.02 3kz4 s LYS 149 Ca 0.26 -0.78 -0.25 0.00 -1.36 0.00 0.00 55.97 53.84 3kz4 s LYS 149 Cb -0.17 0.22 -0.01 0.00 -1.68 0.00 0.00 37.83 36.18 3kz4 s LYS 149 CO 0.15 -0.13 0.83 -0.51 -0.76 0.00 0.00 175.35 174.92 3kz4 s LEU 150 N -2.12 4.17 0.36 3.17 1.43 -1.26 -3.02 118.68 121.40 3kz4 s LEU 150 Ca -0.05 1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 53.95 3kz4 s LEU 150 Cb -0.01 -3.22 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 3kz4 s LEU 150 CO -0.05 -0.40 1.02 -0.54 0.23 0.00 0.00 176.35 176.61 3kz4 s LYS 151 N 2.17 4.38 -0.91 1.70 1.02 -0.54 -3.84 119.74 123.71 3kz4 s LYS 151 Ca 0.38 1.49 -0.07 0.00 0.02 0.00 0.00 55.97 57.79 3kz4 s LYS 151 Cb -0.16 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3kz4 s LYS 151 CO 0.12 0.06 0.75 1.63 -0.92 0.00 0.00 175.35 176.99 3kz4 n LYS 152 N 0.32 -1.50 -2.98 1.68 5.02 -1.26 -4.87 118.16 114.57 3kz4 n LYS 152 Ca 0.03 0.99 -0.44 0.00 -2.02 0.00 0.00 58.31 56.87 3kz4 n LYS 152 Cb 0.49 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 3kz4 n LYS 152 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kz4 n ASP 153 N -2.42 5.59 -4.30 4.39 -0.08 -1.25 -4.97 116.55 113.51 3kz4 n ASP 153 Ca -0.09 -3.12 -0.39 0.00 -1.51 0.00 0.00 54.79 49.68 3kz4 n ASP 153 Cb 0.58 -1.42 -0.12 0.00 2.34 0.00 0.00 41.12 42.50 3kz4 n ASP 153 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3kz4 s THR 154 N -0.62 4.03 -0.02 5.18 -4.23 -1.26 -4.85 115.64 113.87 3kz4 s THR 154 Ca 0.36 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3kz4 s THR 154 Cb -0.01 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 3kz4 s THR 154 CO 0.00 -0.22 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.99 3kz4 s LEU 155 N 1.44 1.88 0.93 4.79 1.43 -1.26 -5.11 118.68 122.78 3kz4 s LEU 155 Ca -0.00 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 3kz4 s LEU 155 Cb -0.20 -0.64 0.15 0.00 0.03 0.00 0.00 46.19 45.53 3kz4 s LEU 155 CO 0.04 0.10 1.13 -2.84 0.23 0.00 0.00 176.35 175.01 3kz4 s PRO 156 N 0.02 0.98 -0.38 1.29 0.02 -1.26 -5.01 135.00 130.66 3kz4 s PRO 156 Ca -0.01 0.34 -0.14 0.00 0.02 0.00 0.00 61.00 61.22 3kz4 s PRO 156 Cb -0.08 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.63 3kz4 s PRO 156 CO 0.00 -2.32 0.26 0.16 -0.33 0.00 0.00 177.00 174.78 3kz4 s ASP 157 N -3.90 6.02 0.00 2.53 -4.77 -1.26 -4.72 116.67 110.57 3kz4 s ASP 157 Ca 0.64 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 3kz4 s ASP 157 Cb -0.16 -2.13 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 3kz4 s ASP 157 CO 0.54 -0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.67 3kz4 n GLY 158 N 5.11 3.37 0.20 2.12 0.00 -1.22 -4.73 105.19 110.05 3kz4 n GLY 158 Ca -0.12 -1.12 0.06 0.00 0.00 0.00 0.00 46.02 44.84 3kz4 n GLY 158 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kz4 n ASP 159 N 0.00 -0.14 0.26 1.61 8.00 -1.26 -0.46 116.55 124.57 3kz4 n ASP 159 Ca 0.00 0.97 -0.17 0.00 0.71 0.00 0.00 54.79 56.30 3kz4 n ASP 159 Cb 0.00 -0.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 3kz4 n ASP 159 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kz4 h TYR 160 N 0.00 -1.28 -0.70 1.24 3.20 -1.97 -1.56 116.97 115.90 3kz4 h TYR 160 Ca 0.31 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.38 3kz4 h TYR 160 Cb 0.56 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 3kz4 h TYR 160 CO -0.37 -0.62 0.50 -0.44 -1.64 0.00 0.00 178.16 175.60 3kz4 h ASP 161 N -0.91 0.06 0.95 -2.11 3.32 -1.05 -1.64 116.42 115.04 3kz4 h ASP 161 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3kz4 h ASP 161 Cb 0.81 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.36 3kz4 h ASP 161 CO -0.08 0.03 -0.46 0.58 -1.72 0.00 0.00 179.24 177.59 3kz4 h VAL 162 N 0.06 0.00 -0.77 -1.35 2.07 -0.97 -1.34 116.25 113.95 3kz4 h VAL 162 Ca 0.34 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.99 3kz4 h VAL 162 Cb 1.26 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 3kz4 h VAL 162 CO -0.03 0.00 0.32 0.03 0.02 0.00 0.00 177.57 177.91 3kz4 h ARG 163 N -1.29 0.45 -0.40 1.57 3.08 -0.67 0.01 114.38 117.12 3kz4 h ARG 163 Ca -0.13 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.90 3kz4 h ARG 163 Cb 0.98 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3kz4 h ARG 163 CO 0.21 0.30 0.25 1.49 -1.07 0.00 0.00 179.97 181.15 3kz4 h GLU 164 N 0.46 0.49 -0.33 0.04 4.81 -1.31 -2.73 114.58 116.02 3kz4 h GLU 164 Ca 0.42 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.68 3kz4 h GLU 164 Cb 0.65 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 3kz4 h GLU 164 CO -0.40 0.33 -0.46 -0.92 -0.73 0.00 0.00 179.01 176.82 3kz4 h TYR 165 N 0.51 -1.35 -0.61 0.92 3.20 0.19 -0.94 116.97 118.88 3kz4 h TYR 165 Ca 0.15 0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.22 3kz4 h TYR 165 Cb -0.02 0.64 -0.10 0.00 1.54 0.00 0.00 36.73 38.78 3kz4 h TYR 165 CO -0.06 -0.47 0.02 0.74 -1.64 0.00 0.00 178.16 176.76 3kz4 h PHE 166 N -0.39 0.00 -0.86 -3.82 -1.00 -1.32 -1.11 116.94 108.44 3kz4 h PHE 166 Ca 0.11 0.04 0.19 0.00 2.81 0.00 0.00 57.97 61.12 3kz4 h PHE 166 Cb 0.60 0.09 -0.16 0.00 3.61 0.00 0.00 35.95 40.10 3kz4 h PHE 166 CO -0.61 -0.14 -0.14 1.25 -1.61 0.00 0.00 178.31 177.05 3kz4 h LEU 167 N 0.14 -0.68 -1.75 1.54 5.85 -0.87 1.10 115.31 120.65 3kz4 h LEU 167 Ca 0.32 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.34 3kz4 h LEU 167 Cb 0.52 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3kz4 h LEU 167 CO -0.51 -0.28 0.25 0.78 -0.34 0.00 0.00 178.44 178.34 3kz4 h ASN 168 N 0.02 0.27 -0.62 1.25 -0.26 -0.93 0.68 115.58 115.99 3kz4 h ASN 168 Ca 0.44 -0.00 0.03 0.00 -0.56 0.00 0.00 56.30 56.20 3kz4 h ASN 168 Cb 0.73 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 3kz4 h ASN 168 CO -0.86 0.19 0.39 -0.07 -1.06 0.00 0.00 177.43 176.02 3kz4 h LEU 169 N 0.32 0.63 -0.31 1.61 4.07 0.13 0.18 115.31 121.94 3kz4 h LEU 169 Ca 0.16 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.16 3kz4 h LEU 169 Cb 0.22 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 3kz4 h LEU 169 CO -0.03 0.44 0.06 0.22 -1.08 0.00 0.00 178.44 178.05 3kz4 h TYR 170 N 0.76 0.10 -0.69 1.13 3.20 -0.42 0.70 116.97 121.75 3kz4 h TYR 170 Ca 0.25 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3kz4 h TYR 170 Cb 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3kz4 h TYR 170 CO -0.05 0.02 0.35 0.22 -1.64 0.00 0.00 178.16 177.05 3kz4 h ASP 171 N 0.17 0.89 -0.61 -2.11 1.82 -0.93 -1.29 116.42 114.36 3kz4 h ASP 171 Ca 0.15 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.59 3kz4 h ASP 171 Cb 0.16 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 3kz4 h ASP 171 CO -0.20 0.76 0.07 -0.61 -1.61 0.00 0.00 179.24 177.66 3kz4 h GLN 172 N 0.96 1.02 -0.54 0.28 4.15 0.30 -2.03 115.11 119.25 3kz4 h GLN 172 Ca 0.24 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 59.43 3kz4 h GLN 172 Cb 0.09 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.62 3kz4 h GLN 172 CO -0.03 0.97 0.24 0.28 -1.93 0.00 0.00 178.83 178.36 3kz4 h VAL 173 N 0.92 0.88 -0.45 2.39 2.07 0.10 -1.56 116.25 120.61 3kz4 h VAL 173 Ca 0.18 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3kz4 h VAL 173 Cb 0.46 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3kz4 h VAL 173 CO 0.02 0.08 -0.05 -0.07 0.02 0.00 0.00 177.57 177.57 3kz4 h LEU 174 N 0.46 0.83 -1.60 2.57 3.38 -1.01 -0.51 115.31 119.43 3kz4 h LEU 174 Ca 0.25 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3kz4 h LEU 174 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kz4 h LEU 174 CO -0.21 0.96 -0.20 0.74 0.09 0.00 0.00 178.44 179.82 3kz4 h THR 175 N 0.68 0.75 -0.31 0.22 2.02 -1.08 -1.70 112.91 113.49 3kz4 h THR 175 Ca 0.12 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3kz4 h THR 175 Cb 0.57 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3kz4 h THR 175 CO 0.03 0.20 0.00 -0.62 0.37 0.00 0.00 175.52 175.50 3kz4 n GLU 176 N -3.73 2.41 -1.51 6.66 1.02 -0.61 -4.95 120.64 119.93 3kz4 n GLU 176 Ca -0.01 -2.12 -0.40 0.00 -0.02 0.00 0.00 57.16 54.61 3kz4 n GLU 176 Cb 0.31 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.12 3kz4 n GLU 176 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kz4 n MET 177 N 1.36 0.33 -2.08 3.49 2.81 -0.22 -4.79 117.12 118.01 3kz4 n MET 177 Ca 0.18 0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.73 3kz4 n MET 177 Cb 0.58 -2.09 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 3kz4 n MET 177 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3kz4 s PRO 178 N 8.63 2.65 0.56 0.03 0.02 -1.26 -4.83 135.00 140.80 3kz4 s PRO 178 Ca 1.24 0.21 0.34 0.00 0.02 0.00 0.00 61.00 62.81 3kz4 s PRO 178 Cb -0.94 -4.64 1.48 0.00 0.02 0.00 0.00 34.50 30.42 3kz4 s PRO 178 CO 0.43 -2.91 1.80 -0.44 -0.33 0.00 0.00 177.00 175.55 3kz4 h ASP 179 N 13.33 0.00 -5.12 2.53 3.32 -1.87 -3.44 116.42 125.18 3kz4 h ASP 179 Ca -0.13 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 3kz4 h ASP 179 Cb 1.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3kz4 h ASP 179 CO 1.22 0.00 0.16 -0.72 -1.72 0.00 0.00 179.24 178.19 3kz4 s TYR 180 N -4.85 0.29 -0.02 4.55 -0.85 -1.20 -2.18 117.35 113.08 3kz4 s TYR 180 Ca -0.05 -0.84 -0.29 0.00 -0.52 0.00 0.00 57.07 55.37 3kz4 s TYR 180 Cb 0.21 0.62 0.09 0.00 0.38 0.00 0.00 41.96 43.25 3kz4 s TYR 180 CO 0.72 -1.43 0.76 -0.51 -1.52 0.00 0.00 175.55 173.57 3kz4 s LEU 181 N -3.09 -0.54 0.10 -3.49 1.43 -1.26 -4.57 118.68 107.26 3kz4 s LEU 181 Ca 0.18 0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3kz4 s LEU 181 Cb -0.04 2.35 -0.04 0.00 0.03 0.00 0.00 46.19 48.48 3kz4 s LEU 181 CO 0.13 -0.63 0.01 -0.22 0.23 0.00 0.00 176.35 175.86 3kz4 s LEU 182 N -1.66 2.15 -0.19 1.79 0.20 -1.26 -4.55 118.68 115.16 3kz4 s LEU 182 Ca -0.05 -1.11 0.02 0.00 0.69 0.00 0.00 54.13 53.68 3kz4 s LEU 182 Cb -0.00 0.19 -0.13 0.00 -0.43 0.00 0.00 46.19 45.82 3kz4 s LEU 182 CO 0.01 -0.64 -0.16 0.18 -0.29 0.00 0.00 176.35 175.45 3kz4 n LEU 183 N -0.03 2.92 -0.36 -0.68 4.77 -1.26 -4.49 117.00 117.88 3kz4 n LEU 183 Ca -0.09 -0.10 0.30 0.00 -0.03 0.00 0.00 56.01 56.08 3kz4 n LEU 183 Cb 0.62 -0.64 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 3kz4 n LEU 183 CO 0.30 0.81 1.26 0.50 -1.33 0.00 0.00 177.39 178.93 3kz4 h LYS 184 N 0.00 0.21 -0.06 3.23 3.64 -1.97 1.15 116.57 122.77 3kz4 h LYS 184 Ca -0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3kz4 h LYS 184 Cb 1.66 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3kz4 h LYS 184 CO -0.06 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 3kz4 n ASP 185 N -4.50 0.06 0.00 4.20 8.00 -1.26 -1.06 116.55 121.98 3kz4 n ASP 185 Ca 0.28 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3kz4 n ASP 185 Cb 1.11 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 3kz4 n ASP 185 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kz4 n MET 186 N -0.22 0.00 -1.35 -1.24 2.81 0.39 -4.98 117.12 112.53 3kz4 n MET 186 Ca 0.00 -0.01 -0.39 0.00 -1.81 0.00 0.00 57.70 55.49 3kz4 n MET 186 Cb 0.02 -0.36 0.02 0.00 -0.71 0.00 0.00 33.22 32.18 3kz4 n MET 186 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kz4 n ALA 187 N 0.00 -2.26 -3.50 3.04 0.00 -0.23 -4.19 120.51 113.37 3kz4 n ALA 187 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 3kz4 n ALA 187 Cb 0.25 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.03 3kz4 n ALA 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kz4 s VAL 188 N -1.81 0.00 0.12 0.00 1.01 -0.89 -4.93 120.40 113.91 3kz4 s VAL 188 Ca 0.62 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 3kz4 s VAL 188 Cb -0.51 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 3kz4 s VAL 188 CO 0.61 -0.02 1.26 -1.61 0.00 0.00 0.00 175.10 175.35 3kz4 s GLU 189 N -0.00 4.41 -1.28 2.72 2.02 -1.26 0.04 118.70 125.34 3kz4 s GLU 189 Ca -0.02 1.91 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 3kz4 s GLU 189 Cb -0.04 -3.27 0.12 0.00 0.10 0.00 0.00 34.13 31.04 3kz4 s GLU 189 CO 0.02 -0.26 1.71 -1.71 0.02 0.00 0.00 175.26 175.04 3kz4 n ASN 190 N 3.43 4.93 -0.11 -0.19 5.15 -0.77 -4.78 115.26 122.92 3kz4 n ASN 190 Ca 0.08 -2.97 0.08 0.00 -0.60 0.00 0.00 54.58 51.18 3kz4 n ASN 190 Cb 0.44 -1.62 0.13 0.00 -0.53 0.00 0.00 39.78 38.20 3kz4 n ASN 190 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3kz4 n LYS 191 N 6.25 -0.00 -0.53 1.20 4.76 -1.26 -4.29 118.16 124.28 3kz4 n LYS 191 Ca 0.43 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 3kz4 n LYS 191 Cb 0.42 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 3kz4 n LYS 191 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kz4 n ASN 192 N -2.57 0.63 -1.03 4.39 3.02 -1.26 -5.08 115.26 113.36 3kz4 n ASN 192 Ca 0.07 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 3kz4 n ASN 192 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3kz4 n ASN 192 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kz4 n SER 193 N -0.96 -5.91 0.00 6.41 2.88 -1.26 -4.62 113.62 110.15 3kz4 n SER 193 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 3kz4 n SER 193 Cb 0.00 -2.79 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 3kz4 n SER 193 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kz4 n ARG 194 N -1.03 0.00 0.00 -1.46 5.12 -1.26 -4.31 116.66 113.71 3kz4 n ARG 194 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3kz4 n ARG 194 Cb 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 3kz4 n ARG 194 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3kz4 n ASP 195 N 0.00 0.00 -1.62 0.55 10.43 -1.26 -3.61 116.55 121.04 3kz4 n ASP 195 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3kz4 n ASP 195 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3kz4 n ASP 195 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kz4 n ALA 196 N 0.00 -0.59 -1.60 2.24 0.00 -1.26 -4.69 120.51 114.61 3kz4 n ALA 196 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 3kz4 n ALA 196 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kz4 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kz4 n GLY 197 N -0.64 -0.02 3.24 0.00 0.00 -1.24 -4.90 105.19 101.64 3kz4 n GLY 197 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 3kz4 n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kz4 s LYS 198 N -1.01 1.76 0.32 1.61 1.02 -1.26 -1.84 119.74 120.33 3kz4 s LYS 198 Ca 0.65 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.91 3kz4 s LYS 198 Cb -0.74 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 3kz4 s LYS 198 CO 0.56 0.47 0.00 0.08 -0.92 0.00 0.00 175.35 175.54 3kz4 s VAL 199 N -0.52 1.49 0.00 3.17 1.01 0.11 -3.87 120.40 121.79 3kz4 s VAL 199 Ca 0.08 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3kz4 s VAL 199 Cb -0.08 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3kz4 s VAL 199 CO -0.01 -0.13 0.51 0.52 0.00 0.00 0.00 175.10 175.99 3kz4 n VAL 200 N -0.68 0.00 -3.75 2.92 0.31 -0.81 -2.09 118.33 114.22 3kz4 n VAL 200 Ca -0.04 0.96 -0.02 0.00 -0.01 0.00 0.00 64.34 65.23 3kz4 n VAL 200 Cb 0.65 -1.42 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 3kz4 n VAL 200 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kz4 n ASP 201 N -1.18 -0.13 0.23 4.52 5.75 -1.26 -4.04 116.55 120.44 3kz4 n ASP 201 Ca 0.00 -1.23 -0.16 0.00 -0.01 0.00 0.00 54.79 53.40 3kz4 n ASP 201 Cb 0.00 0.26 -0.09 0.00 -1.03 0.00 0.00 41.12 40.27 3kz4 n ASP 201 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3kz4 h SER 202 N 0.23 -1.24 -0.50 -1.12 0.02 -1.93 -0.93 113.55 108.08 3kz4 h SER 202 Ca -0.03 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3kz4 h SER 202 Cb 0.14 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 62.99 3kz4 h SER 202 CO 0.04 -0.57 -0.16 -0.33 -1.14 0.00 0.00 176.83 174.68 3kz4 h GLU 203 N -0.84 -0.04 -0.44 3.45 4.39 -1.98 0.13 114.58 119.25 3kz4 h GLU 203 Ca -0.05 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.73 3kz4 h GLU 203 Cb 0.75 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 3kz4 h GLU 203 CO -0.08 -0.03 -0.41 1.15 -1.16 0.00 0.00 179.01 178.48 3kz4 h THR 204 N -0.04 0.13 0.02 1.13 2.02 -1.77 -2.23 112.91 112.16 3kz4 h THR 204 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3kz4 h THR 204 Cb 0.41 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3kz4 h THR 204 CO -0.54 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.27 3kz4 h ALA 205 N 0.52 -0.63 -0.80 6.16 0.00 0.59 -3.06 119.26 122.04 3kz4 h ALA 205 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kz4 h ALA 205 Cb 0.57 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kz4 h ALA 205 CO -0.59 -0.65 0.00 0.45 0.00 0.00 0.00 179.25 178.46 3kz4 n SER 206 N -2.91 0.00 -0.20 0.00 2.88 -0.07 -1.03 113.62 112.29 3kz4 n SER 206 Ca -0.01 0.49 -0.03 0.00 -1.33 0.00 0.00 58.87 57.98 3kz4 n SER 206 Cb 0.06 -0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 3kz4 n SER 206 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kz4 n ILE 207 N -1.84 -0.29 0.04 2.46 5.41 -0.87 -0.92 119.36 123.34 3kz4 n ILE 207 Ca 0.00 1.17 -0.05 0.00 1.00 0.00 0.00 62.75 64.87 3kz4 n ILE 207 Cb 0.00 -1.49 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 3kz4 n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kz4 h ASP 209 N -0.22 0.47 0.16 0.00 3.32 -0.92 0.12 116.42 119.35 3kz4 h ASP 209 Ca -0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kz4 h ASP 209 Cb 0.22 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kz4 h ASP 209 CO -0.08 -0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.36 3kz4 h ALA 210 N 1.68 -0.94 -0.56 3.45 0.00 0.23 -3.30 119.26 119.82 3kz4 h ALA 210 Ca 0.67 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.60 3kz4 h ALA 210 Cb 1.67 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 3kz4 h ALA 210 CO -0.41 -0.92 0.26 0.82 0.00 0.00 0.00 179.25 179.00 3kz4 h ILE 211 N -0.23 0.91 -0.57 0.00 2.04 -0.32 -2.09 117.51 117.24 3kz4 h ILE 211 Ca -0.02 -0.17 0.22 0.00 1.00 0.00 0.00 64.86 65.88 3kz4 h ILE 211 Cb 0.16 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 3kz4 h ILE 211 CO 0.04 0.09 0.34 0.33 0.00 0.00 0.00 178.15 178.95 3kz4 n PHE 212 N -4.90 0.45 0.92 1.37 7.35 0.38 0.67 117.46 123.70 3kz4 n PHE 212 Ca 0.06 0.46 0.10 0.00 -0.76 0.00 0.00 57.45 57.31 3kz4 n PHE 212 Cb 0.18 -0.87 -0.12 0.00 0.35 0.00 0.00 39.48 39.02 3kz4 n PHE 212 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3kz4 n GLN 213 N -3.86 0.17 -2.22 -4.13 6.02 -0.79 -4.72 117.38 107.85 3kz4 n GLN 213 Ca 0.19 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.80 3kz4 n GLN 213 Cb 0.69 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 3kz4 n GLN 213 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kz4 n ASP 214 N -1.54 3.93 0.00 1.08 -0.08 0.21 -4.80 116.55 115.36 3kz4 n ASP 214 Ca 0.03 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 3kz4 n ASP 214 Cb 0.34 -1.70 0.00 0.00 2.34 0.00 0.00 41.12 42.10 3kz4 n ASP 214 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3kz4 n GLU 215 N 8.11 0.00 -1.94 -0.67 4.71 -1.26 -2.90 120.64 126.69 3kz4 n GLU 215 Ca 0.47 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 57.22 3kz4 n GLU 215 Cb 0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.88 3kz4 n GLU 215 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3kz4 n GLU 216 N -2.34 3.91 -3.34 3.49 0.28 -1.26 -4.72 120.64 116.66 3kz4 n GLU 216 Ca 0.00 -3.14 -0.14 0.00 -0.16 0.00 0.00 57.16 53.72 3kz4 n GLU 216 Cb 0.00 -2.84 -0.07 0.00 1.43 0.00 0.00 31.44 29.97 3kz4 n GLU 216 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3kz4 s THR 217 N 0.48 -0.42 0.00 3.84 2.01 -1.14 -5.12 115.64 115.29 3kz4 s THR 217 Ca 0.52 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3kz4 s THR 217 Cb 0.15 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.09 3kz4 s THR 217 CO -0.06 -0.50 0.00 -1.84 -0.69 0.00 0.00 174.62 171.53 3kz4 n GLU 218 N 4.25 0.00 0.08 4.92 0.28 -1.26 -4.45 120.64 124.46 3kz4 n GLU 218 Ca 0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.14 3kz4 n GLU 218 Cb 0.47 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.50 3kz4 n GLU 218 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kz4 n GLY 219 N 0.07 -0.42 0.23 -1.84 0.00 -1.26 -0.03 105.19 101.94 3kz4 n GLY 219 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3kz4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz4 h ALA 220 N 1.05 0.53 0.39 4.61 0.00 -2.00 -3.19 119.26 120.65 3kz4 h ALA 220 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kz4 h ALA 220 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3kz4 h ALA 220 CO 0.00 0.69 -0.47 0.28 0.00 0.00 0.00 179.25 179.74 3kz4 h VAL 221 N 0.58 0.07 -0.54 0.00 2.07 -0.67 -0.41 116.25 117.36 3kz4 h VAL 221 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3kz4 h VAL 221 Cb 1.15 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 3kz4 h VAL 221 CO 0.12 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 177.69 3kz4 h ARG 222 N -0.89 0.07 -0.10 1.57 3.08 -1.69 -0.15 114.38 116.26 3kz4 h ARG 222 Ca -0.04 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3kz4 h ARG 222 Cb 0.80 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 3kz4 h ARG 222 CO -0.11 0.04 -0.42 0.00 -1.07 0.00 0.00 179.97 178.41 3kz4 h ARG 223 N 0.07 -0.44 0.22 0.04 2.47 -1.45 0.83 114.38 116.11 3kz4 h ARG 223 Ca 0.27 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 3kz4 h ARG 223 Cb 0.42 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3kz4 h ARG 223 CO -0.50 -0.30 -0.46 0.35 0.56 0.00 0.00 179.97 179.63 3kz4 h PHE 224 N -0.46 -1.31 -0.77 3.04 3.57 -0.44 -1.01 116.94 119.55 3kz4 h PHE 224 Ca 0.02 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.73 3kz4 h PHE 224 Cb 0.53 0.54 -0.13 0.00 2.79 0.00 0.00 35.95 39.68 3kz4 h PHE 224 CO -0.55 -0.55 0.03 0.82 -2.23 0.00 0.00 178.31 175.83 3kz4 h ILE 225 N -0.74 0.33 0.00 1.41 2.04 -0.83 -2.71 117.51 117.01 3kz4 h ILE 225 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3kz4 h ILE 225 Cb 0.70 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3kz4 h ILE 225 CO -0.19 0.02 0.00 0.00 0.00 0.00 0.00 178.15 177.98 3kz4 n ALA 226 N -2.93 0.00 0.17 1.87 0.00 0.29 -3.93 120.51 115.98 3kz4 n ALA 226 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kz4 n ALA 226 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3kz4 n ALA 226 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kz4 n GLU 227 N 0.00 0.02 -2.10 0.00 1.02 -0.92 -4.58 120.64 114.07 3kz4 n GLU 227 Ca 0.00 0.48 -0.43 0.00 -0.02 0.00 0.00 57.16 57.19 3kz4 n GLU 227 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 3kz4 n GLU 227 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kz4 s MET 228 N -2.61 3.39 0.35 3.49 0.23 -1.02 -4.87 119.30 118.26 3kz4 s MET 228 Ca 0.00 1.26 0.08 0.00 -1.03 0.00 0.00 55.69 56.00 3kz4 s MET 228 Cb 0.00 -4.15 -0.04 0.00 -1.53 0.00 0.00 34.83 29.11 3kz4 s MET 228 CO 0.00 -1.80 0.20 -0.98 -2.03 0.00 0.00 175.02 170.41 3kz4 s ARG 229 N 5.48 2.44 0.12 3.16 1.70 -1.26 -4.76 118.95 125.84 3kz4 s ARG 229 Ca 0.74 -1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 54.45 3kz4 s ARG 229 Cb -0.20 -2.23 0.03 0.00 -0.57 0.00 0.00 34.95 31.98 3kz4 s ARG 229 CO 0.33 0.06 0.07 0.00 -1.08 0.00 0.00 175.30 174.68 3kz4 n GLN 230 N -1.24 -2.22 -3.60 3.89 0.00 -1.25 -4.71 117.38 108.25 3kz4 n GLN 230 Ca -0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 57.00 56.60 3kz4 n GLN 230 Cb 0.61 -0.16 -0.17 0.00 0.00 0.00 0.00 30.24 30.53 3kz4 n GLN 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3kz4 s ARG 231 N -3.18 0.07 -0.38 2.61 6.06 -0.15 -4.97 118.95 119.02 3kz4 s ARG 231 Ca 0.06 -0.09 0.03 0.00 -2.50 0.00 0.00 55.73 53.23 3kz4 s ARG 231 Cb -0.01 -1.76 0.11 0.00 0.06 0.00 0.00 34.95 33.35 3kz4 s ARG 231 CO 0.05 -0.69 0.11 0.08 -2.50 0.00 0.00 175.30 172.35 3kz4 s VAL 232 N 2.15 2.14 -0.39 7.11 1.01 -1.26 -2.30 120.40 128.85 3kz4 s VAL 232 Ca 0.03 -2.47 -0.10 0.00 0.00 0.00 0.00 61.98 59.43 3kz4 s VAL 232 Cb -0.16 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3kz4 s VAL 232 CO -0.11 -0.67 0.22 -1.10 0.00 0.00 0.00 175.10 173.44 3kz4 s GLN 233 N 0.68 2.75 0.00 2.72 -0.21 -1.06 -4.99 119.66 119.55 3kz4 s GLN 233 Ca 0.13 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.31 3kz4 s GLN 233 Cb -0.21 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.07 3kz4 s GLN 233 CO -0.08 -0.77 0.94 0.00 -2.12 0.00 0.00 175.29 173.26 3kz4 n ALA 234 N 4.97 -0.37 -1.34 6.09 0.00 -1.26 -3.01 120.51 125.59 3kz4 n ALA 234 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 3kz4 n ALA 234 Cb 0.45 0.07 0.06 0.00 0.00 0.00 0.00 19.45 20.03 3kz4 n ALA 234 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kz4 n ASP 235 N -1.97 -1.18 0.00 0.00 5.75 -1.26 -2.28 116.55 115.61 3kz4 n ASP 235 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 3kz4 n ASP 235 Cb 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 38.90 3kz4 n ASP 235 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kz4 n ARG 236 N -0.42 0.00 -0.79 0.11 1.74 -1.26 -4.18 116.66 111.86 3kz4 n ARG 236 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3kz4 n ARG 236 Cb 0.49 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3kz4 n ARG 236 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kz4 n ASN 237 N 2.16 -0.64 -4.78 0.55 5.03 -0.96 -4.95 115.26 111.67 3kz4 n ASN 237 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 3kz4 n ASN 237 Cb 0.00 -0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 3kz4 n ASN 237 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kz4 s VAL 238 N -2.00 4.45 -0.27 2.41 1.01 -1.16 -1.57 120.40 123.26 3kz4 s VAL 238 Ca 0.00 1.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.61 3kz4 s VAL 238 Cb 0.00 -4.11 0.15 0.00 0.00 0.00 0.00 36.38 32.42 3kz4 s VAL 238 CO 0.00 0.51 0.41 0.68 0.00 0.00 0.00 175.10 176.70 3kz4 s VAL 239 N -1.03 -0.64 -0.44 2.92 -7.23 -1.12 -2.56 120.40 110.30 3kz4 s VAL 239 Ca 0.35 -0.18 -0.07 0.00 -1.81 0.00 0.00 61.98 60.27 3kz4 s VAL 239 Cb -0.22 -0.91 0.11 0.00 0.56 0.00 0.00 36.38 35.91 3kz4 s VAL 239 CO 0.25 -0.20 0.29 0.20 -0.31 0.00 0.00 175.10 175.33 3kz4 s ASN 240 N 2.56 5.55 -0.07 4.85 0.02 -0.97 -2.25 114.94 124.64 3kz4 s ASN 240 Ca 0.12 -1.88 -0.10 0.00 -1.02 0.00 0.00 52.86 49.97 3kz4 s ASN 240 Cb -0.14 -1.95 -0.05 0.00 0.02 0.00 0.00 41.25 39.13 3kz4 s ASN 240 CO -0.23 -0.62 0.25 -0.31 0.02 0.00 0.00 177.10 176.20 3kz4 s TYR 241 N 1.31 3.65 0.14 2.20 1.51 -1.10 -0.97 117.35 124.08 3kz4 s TYR 241 Ca 0.06 0.72 -0.31 0.00 -1.01 0.00 0.00 57.07 56.53 3kz4 s TYR 241 Cb -0.25 -2.08 -0.08 0.00 -0.11 0.00 0.00 41.96 39.44 3kz4 s TYR 241 CO -0.01 0.70 1.34 -2.14 -1.11 0.00 0.00 175.55 174.33 3kz4 s PRO 242 N -1.07 4.35 0.36 -1.71 0.02 -1.26 -2.22 135.00 133.47 3kz4 s PRO 242 Ca 0.19 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.32 3kz4 s PRO 242 Cb -0.14 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 3kz4 s PRO 242 CO 0.08 -0.35 0.24 -1.13 -0.33 0.00 0.00 177.00 175.51 3kz4 n SER 243 N 3.47 -0.11 -3.64 2.53 3.41 -1.02 -1.93 113.62 116.33 3kz4 n SER 243 Ca 0.09 -3.21 -0.05 0.00 -0.26 0.00 0.00 58.87 55.44 3kz4 n SER 243 Cb 0.43 1.49 -0.06 0.00 -0.26 0.00 0.00 64.21 65.80 3kz4 n SER 243 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3kz4 s ILE 244 N -3.29 -0.16 0.00 -1.33 1.10 -1.26 -2.97 121.20 113.29 3kz4 s ILE 244 Ca 0.34 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 3kz4 s ILE 244 Cb 0.02 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.63 3kz4 s ILE 244 CO 0.24 0.00 0.00 0.18 -2.11 0.00 0.00 174.94 173.25 3kz4 n LEU 245 N 4.44 0.00 0.00 8.50 4.77 -1.19 -4.66 117.00 128.86 3kz4 n LEU 245 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3kz4 n LEU 245 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3kz4 n LEU 245 CO -0.02 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.61 3kz4 n HIS 246 N -0.19 0.00 -0.14 -1.77 -0.00 -1.25 -4.91 115.22 106.96 3kz4 n HIS 246 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 3kz4 n HIS 246 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 3kz4 n HIS 246 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kz4 h PRO 247 N 0.00 -0.05 0.00 1.57 0.11 -1.86 0.46 132.00 132.22 3kz4 h PRO 247 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3kz4 h PRO 247 Cb 0.00 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3kz4 h PRO 247 CO 0.00 -0.04 -0.34 0.82 -0.21 0.00 0.00 178.00 178.24 3kz4 h ILE 248 N -0.05 0.85 0.02 4.15 2.04 -1.99 -2.10 117.51 120.43 3kz4 h ILE 248 Ca 0.22 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 3kz4 h ILE 248 Cb 0.39 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3kz4 h ILE 248 CO -0.49 0.33 -0.01 0.44 0.00 0.00 0.00 178.15 178.42 3kz4 h ASP 249 N 0.00 -0.03 -0.78 1.72 3.32 -1.52 -3.00 116.42 116.13 3kz4 h ASP 249 Ca -0.00 -0.69 0.18 0.00 0.02 0.00 0.00 57.03 56.54 3kz4 h ASP 249 Cb 0.83 0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 3kz4 h ASP 249 CO 0.04 0.78 0.14 0.22 -1.72 0.00 0.00 179.24 178.70 3kz4 h TYR 250 N -0.93 0.19 -0.79 4.55 3.20 -0.17 0.21 116.97 123.22 3kz4 h TYR 250 Ca -0.00 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3kz4 h TYR 250 Cb 0.72 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.91 3kz4 h TYR 250 CO 0.19 -0.17 -0.52 0.00 -1.64 0.00 0.00 178.16 176.02 3kz4 h ALA 251 N 1.69 -0.43 -3.00 1.82 0.00 -1.37 0.35 119.26 118.32 3kz4 h ALA 251 Ca 0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3kz4 h ALA 251 Cb 0.82 1.18 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3kz4 h ALA 251 CO -0.60 -0.90 0.00 1.19 0.00 0.00 0.00 179.25 178.94 3kz4 n PHE 252 N -5.35 0.00 -0.11 0.00 0.99 0.70 -3.34 117.46 110.35 3kz4 n PHE 252 Ca 0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.57 3kz4 n PHE 252 Cb 0.32 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 38.98 3kz4 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3kz4 n ASN 253 N 0.00 0.08 0.00 4.37 3.02 -1.10 -0.45 115.26 121.18 3kz4 n ASN 253 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3kz4 n ASN 253 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3kz4 n ASN 253 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kz4 n GLU 254 N -3.44 0.00 -0.55 3.52 4.07 0.11 -2.07 120.64 122.29 3kz4 n GLU 254 Ca 0.11 0.30 0.46 0.00 -0.06 0.00 0.00 57.16 57.97 3kz4 n GLU 254 Cb 0.41 -1.10 0.79 0.00 -0.06 0.00 0.00 31.44 31.47 3kz4 n GLU 254 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 3kz4 h TYR 255 N 0.00 0.03 0.00 4.31 3.20 -0.76 2.52 116.97 126.26 3kz4 h TYR 255 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3kz4 h TYR 255 Cb 0.00 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3kz4 h TYR 255 CO -0.05 -0.01 -0.02 0.74 -1.64 0.00 0.00 178.16 177.18 3kz4 h PHE 256 N 0.01 0.00 0.14 -3.82 -1.00 -1.34 -0.85 116.94 110.08 3kz4 h PHE 256 Ca 0.79 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 61.30 3kz4 h PHE 256 Cb 3.14 0.00 0.01 0.00 3.61 0.00 0.00 35.95 42.70 3kz4 h PHE 256 CO -0.00 0.02 -1.34 -0.07 -1.61 0.00 0.00 178.31 175.31 3kz4 h LEU 257 N 0.00 0.46 0.00 1.54 3.38 0.47 -3.33 115.31 117.83 3kz4 h LEU 257 Ca -0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3kz4 h LEU 257 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kz4 h LEU 257 CO 0.00 1.60 0.00 0.00 0.09 0.00 0.00 178.44 180.13 3kz4 n GLN 258 N -3.91 0.84 -2.68 1.13 1.13 -0.80 -3.06 117.38 110.04 3kz4 n GLN 258 Ca -0.22 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.80 3kz4 n GLN 258 Cb 0.92 -1.22 0.05 0.00 0.11 0.00 0.00 30.24 30.10 3kz4 n GLN 258 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3kz4 n HIS 259 N -0.72 1.46 -2.22 1.08 -0.00 -0.39 -5.00 115.22 109.43 3kz4 n HIS 259 Ca 0.09 -2.12 -0.32 0.00 0.46 0.00 0.00 57.72 55.83 3kz4 n HIS 259 Cb 0.04 -0.25 -0.04 0.00 -0.12 0.00 0.00 29.99 29.62 3kz4 n HIS 259 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3kz4 s GLN 260 N -3.70 2.91 -0.34 1.57 -0.21 -1.17 -4.82 119.66 113.89 3kz4 s GLN 260 Ca 0.31 -0.84 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 3kz4 s GLN 260 Cb 0.34 -5.22 -0.32 0.00 1.00 0.00 0.00 33.01 28.81 3kz4 s GLN 260 CO -0.03 -3.14 1.71 -0.11 -2.12 0.00 0.00 175.29 171.60 3kz4 n LEU 261 N 12.39 0.99 -3.42 2.90 7.94 -0.93 -4.68 117.00 132.20 3kz4 n LEU 261 Ca 0.41 -1.78 -0.20 0.00 -1.11 0.00 0.00 56.01 53.33 3kz4 n LEU 261 Cb 0.48 -0.87 -0.10 0.00 0.53 0.00 0.00 43.42 43.45 3kz4 n LEU 261 CO 0.65 -2.50 -0.21 -0.69 -1.11 0.00 0.00 177.39 173.53 3kz4 s VAL 262 N 10.08 -0.28 0.71 1.96 1.01 -1.26 -4.66 120.40 127.96 3kz4 s VAL 262 Ca 0.70 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3kz4 s VAL 262 Cb 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3kz4 s VAL 262 CO 0.28 -0.59 1.10 -1.61 0.00 0.00 0.00 175.10 174.29 3kz4 s GLU 263 N 1.97 2.78 0.00 2.72 2.02 -1.20 -4.85 118.70 122.14 3kz4 s GLU 263 Ca 0.12 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.54 3kz4 s GLU 263 Cb -0.15 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.06 3kz4 s GLU 263 CO -0.23 -1.08 0.00 -2.30 0.02 0.00 0.00 175.26 171.66 3kz4 n PRO 264 N -3.03 2.94 0.00 0.39 -0.02 -1.26 -2.32 135.00 131.70 3kz4 n PRO 264 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3kz4 n PRO 264 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 3kz4 n PRO 264 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kz4 n LEU 265 N 0.00 0.00 -4.51 2.45 7.94 -1.24 -3.59 117.00 118.04 3kz4 n LEU 265 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3kz4 n LEU 265 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 3kz4 n LEU 265 CO 0.00 0.00 -0.47 0.20 -1.11 0.00 0.00 177.39 176.01 3kz4 s ASN 266 N 0.00 3.98 0.28 1.96 0.01 -1.26 -4.72 114.94 115.18 3kz4 s ASN 266 Ca 0.00 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.56 3kz4 s ASN 266 Cb 0.00 -0.59 0.55 0.00 0.41 0.00 0.00 41.25 41.62 3kz4 s ASN 266 CO 0.00 0.17 1.47 0.59 -1.51 0.00 0.00 177.10 177.82 3kz4 n ASN 267 N 0.66 -0.24 -0.31 -1.22 3.02 -1.26 0.11 115.26 116.01 3kz4 n ASN 267 Ca -0.15 1.61 0.15 0.00 -0.03 0.00 0.00 54.58 56.17 3kz4 n ASN 267 Cb 0.53 -0.53 0.34 0.00 -0.61 0.00 0.00 39.78 39.51 3kz4 n ASN 267 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3kz4 h ASP 268 N 0.00 0.28 -0.42 6.41 3.32 -1.99 -0.82 116.42 123.20 3kz4 h ASP 268 Ca 0.50 0.17 -0.15 0.00 0.02 0.00 0.00 57.03 57.58 3kz4 h ASP 268 Cb 0.89 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3kz4 h ASP 268 CO -0.93 -0.07 -0.31 0.40 -1.72 0.00 0.00 179.24 176.60 3kz4 h ILE 269 N 0.33 1.27 0.03 0.35 2.04 0.35 -0.24 117.51 121.64 3kz4 h ILE 269 Ca 0.59 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.99 3kz4 h ILE 269 Cb 1.20 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3kz4 h ILE 269 CO -0.58 0.50 -0.17 0.40 0.00 0.00 0.00 178.15 178.30 3kz4 h ILE 270 N 0.80 0.59 -0.69 -0.67 2.04 -0.99 0.47 117.51 119.04 3kz4 h ILE 270 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 3kz4 h ILE 270 Cb 0.90 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 3kz4 h ILE 270 CO 0.08 0.00 0.23 0.15 0.00 0.00 0.00 178.15 178.61 3kz4 h PHE 271 N -0.30 0.39 -0.03 1.37 3.57 -1.14 -2.42 116.94 118.37 3kz4 h PHE 271 Ca 0.05 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 3kz4 h PHE 271 Cb 0.36 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3kz4 h PHE 271 CO -0.21 0.02 -0.48 -0.91 -2.23 0.00 0.00 178.31 174.50 3kz4 h ASN 272 N 0.37 0.09 0.00 0.41 2.35 0.21 -2.96 115.58 116.05 3kz4 h ASN 272 Ca 0.38 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3kz4 h ASN 272 Cb 0.56 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3kz4 h ASN 272 CO -0.41 0.56 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 3kz4 n TYR 273 N -3.97 0.00 -4.48 1.19 9.36 0.03 -4.55 117.16 114.75 3kz4 n TYR 273 Ca -0.02 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.87 3kz4 n TYR 273 Cb 0.51 -0.01 -0.12 0.00 -0.63 0.00 0.00 39.34 39.09 3kz4 n TYR 273 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kz4 s ILE 274 N -1.66 3.80 0.01 2.97 1.01 -1.12 -5.07 121.20 121.14 3kz4 s ILE 274 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 60.65 59.86 3kz4 s ILE 274 Cb 0.00 -2.64 -0.19 0.00 0.01 0.00 0.00 42.46 39.64 3kz4 s ILE 274 CO 0.00 0.52 1.17 -2.65 0.00 0.00 0.00 174.94 173.98 3kz4 n PRO 275 N 3.23 0.35 -0.52 2.79 -0.02 -1.26 -4.74 135.00 134.82 3kz4 n PRO 275 Ca -0.18 0.13 0.44 0.00 -2.02 0.00 0.00 63.50 61.87 3kz4 n PRO 275 Cb 0.53 -1.67 0.78 0.00 -0.02 0.00 0.00 33.50 33.12 3kz4 n PRO 275 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kz4 h GLU 276 N 3.53 0.01 0.00 -0.52 4.57 -1.90 -3.38 114.58 116.89 3kz4 h GLU 276 Ca -0.50 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3kz4 h GLU 276 Cb 1.40 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 3kz4 h GLU 276 CO 0.70 0.01 0.00 -2.13 -1.18 0.00 0.00 179.01 176.40 3kz4 n ARG 277 N -4.08 2.83 0.00 1.92 0.63 -1.26 -4.22 116.66 112.48 3kz4 n ARG 277 Ca 0.36 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 3kz4 n ARG 277 Cb 1.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.55 3kz4 n ARG 277 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3kz4 n ILE 278 N -0.00 0.00 -0.34 5.15 -5.35 -1.26 -3.23 119.36 114.32 3kz4 n ILE 278 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 3kz4 n ILE 278 Cb 0.00 0.00 0.19 0.00 -1.74 0.00 0.00 39.64 38.09 3kz4 n ILE 278 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3kz4 h ARG 279 N 0.00 1.13 -0.98 6.28 3.08 -1.76 -0.49 114.38 121.64 3kz4 h ARG 279 Ca 0.00 -0.07 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 3kz4 h ARG 279 Cb 0.00 -0.25 -0.17 0.00 0.08 0.00 0.00 29.97 29.63 3kz4 h ARG 279 CO 0.00 0.75 0.35 0.09 -1.07 0.00 0.00 179.97 180.09 3kz4 n ASN 280 N -4.47 3.48 -3.73 7.04 4.13 -1.20 -4.51 115.26 116.00 3kz4 n ASN 280 Ca 0.14 -2.92 -0.28 0.00 1.68 0.00 0.00 54.58 53.20 3kz4 n ASN 280 Cb 0.15 -0.69 -0.11 0.00 -1.54 0.00 0.00 39.78 37.59 3kz4 n ASN 280 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3kz4 n ASP 281 N -0.40 2.16 -0.06 6.41 -0.08 -0.19 -5.00 116.55 119.39 3kz4 n ASP 281 Ca 0.34 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.61 3kz4 n ASP 281 Cb 1.17 -0.70 0.01 0.00 2.34 0.00 0.00 41.12 43.94 3kz4 n ASP 281 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3kz4 n VAL 282 N 2.09 -0.07 -0.04 5.18 3.14 -1.26 -0.23 118.33 127.13 3kz4 n VAL 282 Ca 0.23 0.36 0.18 0.00 -2.96 0.00 0.00 64.34 62.15 3kz4 n VAL 282 Cb 0.39 -0.48 0.27 0.00 -1.06 0.00 0.00 33.84 32.96 3kz4 n VAL 282 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3kz4 n ASN 283 N -4.24 0.00 -4.42 6.55 5.03 -1.26 -4.28 115.26 112.64 3kz4 n ASN 283 Ca 0.02 0.62 -0.33 0.00 0.87 0.00 0.00 54.58 55.76 3kz4 n ASN 283 Cb 0.07 -0.17 -0.14 0.00 -1.02 0.00 0.00 39.78 38.53 3kz4 n ASN 283 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3kz4 s TYR 284 N -4.09 2.88 -0.10 3.10 1.51 0.68 -3.20 117.35 118.13 3kz4 s TYR 284 Ca -0.02 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.37 3kz4 s TYR 284 Cb 0.09 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3kz4 s TYR 284 CO 0.30 -0.13 0.47 0.42 -1.11 0.00 0.00 175.55 175.50 3kz4 s ILE 285 N 0.28 5.16 0.14 2.71 1.01 -1.22 -4.88 121.20 124.41 3kz4 s ILE 285 Ca -0.08 0.94 0.10 0.00 0.00 0.00 0.00 60.65 61.61 3kz4 s ILE 285 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3kz4 s ILE 285 CO 0.05 0.36 -0.22 -0.76 0.00 0.00 0.00 174.94 174.36 3kz4 s LEU 286 N 0.39 2.36 -0.16 2.97 2.01 -1.26 -3.54 118.68 121.45 3kz4 s LEU 286 Ca 0.25 -0.78 -0.32 0.00 0.01 0.00 0.00 54.13 53.30 3kz4 s LEU 286 Cb -0.15 -1.01 0.14 0.00 0.01 0.00 0.00 46.19 45.17 3kz4 s LEU 286 CO 0.11 0.08 1.11 0.20 1.01 0.00 0.00 176.35 178.86 3kz4 s ASN 287 N -2.28 -0.23 0.16 2.29 0.02 -0.81 -4.99 114.94 109.11 3kz4 s ASN 287 Ca 0.13 0.10 0.06 0.00 -1.02 0.00 0.00 52.86 52.14 3kz4 s ASN 287 Cb -0.09 0.22 -0.04 0.00 0.02 0.00 0.00 41.25 41.36 3kz4 s ASN 287 CO 0.06 -0.31 0.04 -0.04 0.02 0.00 0.00 177.10 176.88 3kz4 s MET 288 N -2.04 2.58 0.00 -0.60 -1.94 -1.26 -2.65 119.30 113.38 3kz4 s MET 288 Ca 0.06 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 3kz4 s MET 288 Cb -0.01 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 34.36 3kz4 s MET 288 CO -0.04 0.47 0.00 -0.25 -0.01 0.00 0.00 175.02 175.19 3kz4 n ASP 289 N -0.14 0.00 -4.89 3.03 8.00 -1.26 -4.98 116.55 116.31 3kz4 n ASP 289 Ca -0.09 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.09 3kz4 n ASP 289 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 3kz4 n ASP 289 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kz4 s ARG 290 N -1.00 3.65 0.73 -1.24 0.52 -1.26 -5.09 118.95 115.26 3kz4 s ARG 290 Ca 0.00 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3kz4 s ARG 290 Cb 0.00 -2.82 0.12 0.00 0.52 0.00 0.00 34.95 32.77 3kz4 s ARG 290 CO 0.00 0.45 1.02 0.54 0.02 0.00 0.00 175.30 177.32 3kz4 s ASN 291 N -2.40 4.33 -0.13 0.23 2.20 -1.26 -5.06 114.94 112.85 3kz4 s ASN 291 Ca 0.42 -0.15 -0.01 0.00 -0.94 0.00 0.00 52.86 52.18 3kz4 s ASN 291 Cb -0.12 -0.27 0.04 0.00 -2.00 0.00 0.00 41.25 38.89 3kz4 s ASN 291 CO 0.24 -1.88 -0.03 -0.76 -2.94 0.00 0.00 177.10 171.74 3kz4 s LEU 292 N -5.22 1.14 0.44 3.54 1.43 -1.26 -5.07 118.68 113.68 3kz4 s LEU 292 Ca 0.66 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 3kz4 s LEU 292 Cb -0.06 -0.70 -0.08 0.00 0.03 0.00 0.00 46.19 45.38 3kz4 s LEU 292 CO 0.45 -0.20 1.11 -2.84 0.23 0.00 0.00 176.35 175.11 3kz4 s PRO 293 N 1.79 3.92 0.00 1.29 0.02 -1.26 -4.83 135.00 135.93 3kz4 s PRO 293 Ca 0.03 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3kz4 s PRO 293 Cb -0.14 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.94 3kz4 s PRO 293 CO -0.07 -0.39 0.34 -1.13 -0.33 0.00 0.00 177.00 175.43 3kz4 n SER 294 N -0.36 0.89 -0.01 2.53 3.41 -1.26 -1.03 113.62 117.80 3kz4 n SER 294 Ca 0.07 -0.95 0.08 0.00 -0.26 0.00 0.00 58.87 57.81 3kz4 n SER 294 Cb 0.49 -0.24 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 3kz4 n SER 294 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kz4 n THR 295 N 0.48 0.00 -1.54 6.66 -1.04 -1.26 -5.03 114.28 112.55 3kz4 n THR 295 Ca 0.00 -0.30 -0.51 0.00 -2.04 0.00 0.00 64.05 61.20 3kz4 n THR 295 Cb 0.17 0.40 -0.05 0.00 -1.82 0.00 0.00 70.33 69.04 3kz4 n THR 295 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kz4 n ALA 296 N -1.87 -1.68 -3.64 2.41 0.00 -0.20 -4.01 120.51 111.52 3kz4 n ALA 296 Ca -0.01 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 3kz4 n ALA 296 Cb 0.39 -1.92 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 3kz4 n ALA 296 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kz4 s ARG 297 N -0.34 0.57 0.39 0.00 1.81 -1.24 -3.73 118.95 116.41 3kz4 s ARG 297 Ca 0.76 0.99 0.03 0.00 -1.72 0.00 0.00 55.73 55.79 3kz4 s ARG 297 Cb -0.96 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 33.62 3kz4 s ARG 297 CO 0.53 -0.15 0.10 2.48 -0.68 0.00 0.00 175.30 177.59 3kz4 n TYR 298 N 4.11 0.35 -4.07 -0.53 0.18 -0.98 -2.02 117.16 114.19 3kz4 n TYR 298 Ca -0.21 -2.36 -0.32 0.00 1.88 0.00 0.00 57.90 56.89 3kz4 n TYR 298 Cb 0.57 -0.08 -0.16 0.00 -0.38 0.00 0.00 39.34 39.30 3kz4 n TYR 298 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3kz4 s ILE 299 N -2.88 1.91 0.12 -3.48 -4.36 -1.26 -3.22 121.20 108.03 3kz4 s ILE 299 Ca 0.14 -1.02 -0.35 0.00 -0.26 0.00 0.00 60.65 59.17 3kz4 s ILE 299 Cb 0.01 -1.84 -0.17 0.00 1.25 0.00 0.00 42.46 41.71 3kz4 s ILE 299 CO 0.10 0.36 1.09 -1.14 0.24 0.00 0.00 174.94 175.59 3kz4 n ARG 300 N 4.63 0.75 0.25 0.37 0.63 -1.26 -4.86 116.66 117.17 3kz4 n ARG 300 Ca -0.18 0.27 0.13 0.00 -0.92 0.00 0.00 57.85 57.15 3kz4 n ARG 300 Cb 0.48 -1.73 0.59 0.00 0.45 0.00 0.00 32.46 32.25 3kz4 n ARG 300 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3kz4 h PRO 301 N 3.19 0.00 -5.48 -0.14 0.11 -2.01 -3.49 132.00 124.18 3kz4 h PRO 301 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kz4 h PRO 301 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3kz4 h PRO 301 CO 0.69 0.12 -1.00 -1.71 -0.21 0.00 0.00 178.00 175.89 3kz4 n ASN 302 N -3.30 -7.66 -2.20 -2.05 5.15 -1.26 -4.43 115.26 99.51 3kz4 n ASN 302 Ca -0.00 1.16 -0.21 0.00 -0.60 0.00 0.00 54.58 54.93 3kz4 n ASN 302 Cb 0.35 -4.33 0.02 0.00 -0.53 0.00 0.00 39.78 35.29 3kz4 n ASN 302 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3kz4 n LEU 303 N 0.87 4.38 -4.72 1.20 4.77 -1.26 -4.30 117.00 117.94 3kz4 n LEU 303 Ca 0.00 -4.56 -0.43 0.00 -0.03 0.00 0.00 56.01 51.00 3kz4 n LEU 303 Cb 0.14 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3kz4 n LEU 303 CO 0.33 1.97 1.17 0.18 -1.33 0.00 0.00 177.39 179.71 3kz4 n LEU 304 N -0.65 3.99 -4.34 2.23 4.77 -1.26 -4.94 117.00 116.79 3kz4 n LEU 304 Ca 0.38 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 57.20 3kz4 n LEU 304 Cb 0.91 -1.54 0.28 0.00 -2.33 0.00 0.00 43.42 40.73 3kz4 n LEU 304 CO 0.35 -0.04 0.43 -1.10 -1.33 0.00 0.00 177.39 175.70 3kz4 s GLN 305 N -0.51 -2.68 0.00 3.23 -1.52 -1.26 -4.74 119.66 112.17 3kz4 s GLN 305 Ca 0.65 0.15 0.00 0.00 -1.95 0.00 0.00 55.36 54.21 3kz4 s GLN 305 Cb -0.54 -1.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 3kz4 s GLN 305 CO 0.49 -4.72 0.00 -0.25 -0.25 0.00 0.00 175.29 170.56 3kz4 n ASP 306 N -5.52 0.00 0.00 5.90 8.00 -1.26 -4.62 116.55 119.05 3kz4 n ASP 306 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3kz4 n ASP 306 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3kz4 n ASP 306 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kz4 n ARG 307 N -1.94 0.00 -4.37 -1.24 1.74 -1.26 -4.49 116.66 105.10 3kz4 n ARG 307 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3kz4 n ARG 307 Cb 0.00 -0.17 -0.15 0.00 -1.02 0.00 0.00 32.46 31.12 3kz4 n ARG 307 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kz4 s LEU 308 N 0.00 2.63 -0.80 0.55 1.43 -1.26 -5.06 118.68 116.17 3kz4 s LEU 308 Ca 0.00 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3kz4 s LEU 308 Cb 0.00 -1.62 0.17 0.00 0.03 0.00 0.00 46.19 44.77 3kz4 s LEU 308 CO 0.00 0.07 0.85 0.20 0.23 0.00 0.00 176.35 177.70 3kz4 s ASN 309 N 0.93 6.59 0.05 2.29 0.01 -1.26 -4.75 114.94 118.79 3kz4 s ASN 309 Ca -0.02 -2.21 0.21 0.00 -0.71 0.00 0.00 52.86 50.13 3kz4 s ASN 309 Cb -0.15 -2.29 -0.19 0.00 0.41 0.00 0.00 41.25 39.03 3kz4 s ASN 309 CO -0.01 -0.84 0.69 0.00 -1.51 0.00 0.00 177.10 175.43 3kz4 n LEU 310 N 5.27 0.39 -1.63 0.60 -0.00 -1.26 -4.37 117.00 115.99 3kz4 n LEU 310 Ca 0.11 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 3kz4 n LEU 310 Cb 0.46 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 3kz4 n LEU 310 CO 0.44 -0.02 0.55 0.00 -0.00 0.00 0.00 177.39 178.36 3kz4 n HIS 311 N -2.50 0.00 -1.98 1.47 1.44 -1.26 -1.81 115.22 110.57 3kz4 n HIS 311 Ca -0.05 -0.55 -0.04 0.00 -2.01 0.00 0.00 57.72 55.07 3kz4 n HIS 311 Cb 0.63 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 3kz4 n HIS 311 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3kz4 n ASP 312 N 1.60 -0.77 0.00 4.39 5.75 -1.26 -5.00 116.55 121.27 3kz4 n ASP 312 Ca 0.00 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3kz4 n ASP 312 Cb 0.29 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3kz4 n ASP 312 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kz4 n ASN 313 N -0.18 0.00 -2.76 -1.12 4.05 -1.10 -5.03 115.26 109.11 3kz4 n ASN 313 Ca -0.19 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.56 3kz4 n ASN 313 Cb 0.60 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.53 3kz4 n ASN 313 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3kz4 n PHE 314 N 0.00 1.44 0.10 1.20 3.01 -0.75 -4.64 117.46 117.82 3kz4 n PHE 314 Ca 0.00 -2.39 -0.15 0.00 1.01 0.00 0.00 57.45 55.92 3kz4 n PHE 314 Cb 0.00 -2.03 -0.09 0.00 -0.01 0.00 0.00 39.48 37.35 3kz4 n PHE 314 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kz4 h GLU 315 N 4.07 -0.68 -0.60 -1.08 5.08 -1.96 -1.66 114.58 117.75 3kz4 h GLU 315 Ca 0.57 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.13 3kz4 h GLU 315 Cb 0.79 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 3kz4 h GLU 315 CO 1.10 -0.45 -0.03 0.43 -1.00 0.00 0.00 179.01 179.06 3kz4 n SER 316 N -5.29 -0.11 0.06 1.42 7.64 -1.26 0.45 113.62 116.53 3kz4 n SER 316 Ca -0.08 1.02 -0.10 0.00 1.01 0.00 0.00 58.87 60.71 3kz4 n SER 316 Cb 0.39 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 3kz4 n SER 316 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kz4 h LEU 317 N 0.00 0.14 -0.16 -3.43 3.38 -1.63 -3.21 115.31 110.40 3kz4 h LEU 317 Ca 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kz4 h LEU 317 Cb 0.66 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3kz4 h LEU 317 CO -0.58 1.14 0.10 -0.50 0.09 0.00 0.00 178.44 178.69 3kz4 h TRP 318 N 0.03 0.21 -0.71 1.13 4.06 0.85 -0.51 115.95 121.00 3kz4 h TRP 318 Ca -0.11 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.00 3kz4 h TRP 318 Cb 1.88 -0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 29.86 3kz4 h TRP 318 CO 0.02 0.17 0.12 0.22 -3.56 0.00 0.00 178.44 175.41 3kz4 h ASP 319 N 0.19 -0.09 0.14 -3.49 1.82 -1.32 0.43 116.42 114.10 3kz4 h ASP 319 Ca 0.06 0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 3kz4 h ASP 319 Cb 0.02 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 3kz4 h ASP 319 CO -0.01 -0.07 -0.20 0.74 -1.61 0.00 0.00 179.24 178.09 3kz4 h THR 320 N 0.22 1.18 0.35 2.25 2.02 -1.30 -0.88 112.91 116.74 3kz4 h THR 320 Ca 0.40 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3kz4 h THR 320 Cb 0.68 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3kz4 h THR 320 CO -0.53 0.25 -0.17 0.40 0.37 0.00 0.00 175.52 175.84 3kz4 h ILE 321 N 0.11 0.00 -0.51 3.11 2.04 0.11 -2.48 117.51 119.88 3kz4 h ILE 321 Ca 0.02 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.32 3kz4 h ILE 321 Cb 0.42 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 3kz4 h ILE 321 CO 0.03 0.00 -0.40 0.74 0.00 0.00 0.00 178.15 178.52 3kz4 h THR 322 N -1.07 0.00 -0.24 -0.27 2.02 -0.30 0.57 112.91 113.62 3kz4 h THR 322 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3kz4 h THR 322 Cb 0.36 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3kz4 h THR 322 CO 0.08 0.00 -0.14 0.41 0.37 0.00 0.00 175.52 176.24 3kz4 n THR 323 N -4.56 -0.16 0.00 3.16 -1.04 -0.34 0.84 114.28 112.18 3kz4 n THR 323 Ca -0.00 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.40 3kz4 n THR 323 Cb 0.20 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 3kz4 n THR 323 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kz4 n SER 324 N -3.46 0.00 -0.49 8.00 2.88 0.57 -0.42 113.62 120.70 3kz4 n SER 324 Ca 0.00 0.86 0.40 0.00 -1.33 0.00 0.00 58.87 58.81 3kz4 n SER 324 Cb 0.06 -0.36 0.69 0.00 -0.75 0.00 0.00 64.21 63.85 3kz4 n SER 324 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3kz4 h ASN 325 N 0.00 0.19 0.70 -3.46 4.21 0.11 0.43 115.58 117.76 3kz4 h ASN 325 Ca 0.00 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.60 3kz4 h ASN 325 Cb 0.00 0.12 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3kz4 h ASN 325 CO 0.00 -0.18 -0.34 0.22 -1.29 0.00 0.00 177.43 175.85 3kz4 h TYR 326 N 0.05 -0.88 -0.64 1.19 3.20 0.33 -1.77 116.97 118.45 3kz4 h TYR 326 Ca 0.85 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.82 3kz4 h TYR 326 Cb 2.82 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 41.29 3kz4 h TYR 326 CO -0.00 -0.53 0.15 0.82 -1.64 0.00 0.00 178.16 176.96 3kz4 h ILE 327 N -1.21 0.62 -0.77 1.81 2.04 0.45 0.32 117.51 120.76 3kz4 h ILE 327 Ca -0.10 -0.10 0.13 0.00 1.00 0.00 0.00 64.86 65.79 3kz4 h ILE 327 Cb 0.74 0.31 -0.13 0.00 -0.74 0.00 0.00 36.82 37.00 3kz4 h ILE 327 CO 0.16 0.05 -0.37 0.25 0.00 0.00 0.00 178.15 178.25 3kz4 h LEU 328 N 0.28 -1.30 0.27 1.44 5.85 -1.22 -1.31 115.31 119.31 3kz4 h LEU 328 Ca 0.34 0.27 0.01 0.00 0.84 0.00 0.00 57.88 59.34 3kz4 h LEU 328 Cb 0.53 0.66 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3kz4 h LEU 328 CO -0.42 -0.30 -0.43 0.00 -0.34 0.00 0.00 178.44 176.95 3kz4 h ALA 329 N 1.15 -0.85 -0.88 1.25 0.00 0.53 -2.15 119.26 118.30 3kz4 h ALA 329 Ca 0.28 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.28 3kz4 h ALA 329 Cb 0.57 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 3kz4 h ALA 329 CO -0.82 -1.03 0.39 0.00 0.00 0.00 0.00 179.25 177.78 3kz4 h ARG 330 N -0.76 0.41 -0.37 0.00 3.08 -0.50 0.65 114.38 116.89 3kz4 h ARG 330 Ca -0.01 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.12 3kz4 h ARG 330 Cb 0.73 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3kz4 h ARG 330 CO -0.16 0.27 0.46 1.03 -1.07 0.00 0.00 179.97 180.50 3kz4 h SER 331 N 0.42 0.00 0.00 7.04 0.87 -0.59 -3.08 113.55 118.21 3kz4 h SER 331 Ca 0.54 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.66 3kz4 h SER 331 Cb 0.99 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 3kz4 h SER 331 CO -0.51 0.00 -2.45 0.52 -0.53 0.00 0.00 176.83 173.87 3kz4 n VAL 332 N -3.57 1.53 -1.31 2.23 0.31 0.22 -4.92 118.33 112.82 3kz4 n VAL 332 Ca 0.06 -0.35 -0.39 0.00 -0.01 0.00 0.00 64.34 63.65 3kz4 n VAL 332 Cb 0.62 -1.91 -0.13 0.00 -0.91 0.00 0.00 33.84 31.51 3kz4 n VAL 332 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kz4 n VAL 333 N -4.27 0.00 -1.50 2.52 0.31 -0.57 -4.77 118.33 110.05 3kz4 n VAL 333 Ca -0.52 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.37 3kz4 n VAL 333 Cb 0.86 -0.45 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 3kz4 n VAL 333 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kz4 n PRO 334 N 7.45 0.81 -1.48 5.55 -0.02 -1.26 -4.93 135.00 141.12 3kz4 n PRO 334 Ca 0.57 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 3kz4 n PRO 334 Cb 0.02 -1.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.99 3kz4 n PRO 334 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kz4 s ASP 335 N -0.80 4.93 0.74 2.55 1.01 -1.26 -4.96 116.67 118.88 3kz4 s ASP 335 Ca 0.62 1.79 -0.02 0.00 0.71 0.00 0.00 52.55 55.65 3kz4 s ASP 335 Cb -0.69 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 40.85 3kz4 s ASP 335 CO 0.58 -1.75 1.02 -0.76 0.21 0.00 0.00 175.17 174.47 3kz4 s LEU 336 N -5.56 2.95 0.35 1.23 1.43 -1.26 -4.92 118.68 112.90 3kz4 s LEU 336 Ca 0.61 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 3kz4 s LEU 336 Cb -0.17 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3kz4 s LEU 336 CO 0.52 -1.93 0.55 -0.54 0.23 0.00 0.00 176.35 175.19 3kz4 s LYS 337 N -5.20 1.97 -0.13 1.70 1.02 -1.26 -5.04 119.74 112.80 3kz4 s LYS 337 Ca 0.67 -1.65 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 3kz4 s LYS 337 Cb -0.05 0.49 0.02 0.00 -0.52 0.00 0.00 37.83 37.77 3kz4 s LYS 337 CO 0.45 -0.85 0.19 0.39 -0.92 0.00 0.00 175.35 174.62 3kz4 n GLU 338 N -0.55 -0.66 -2.39 1.68 1.02 -1.26 -4.72 120.64 113.76 3kz4 n GLU 338 Ca -0.01 0.74 -0.10 0.00 -0.02 0.00 0.00 57.16 57.76 3kz4 n GLU 338 Cb 0.61 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 3kz4 n GLU 338 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kz4 n LEU 339 N 0.58 0.00 -4.49 -4.62 4.77 -1.26 -4.23 117.00 107.75 3kz4 n LEU 339 Ca -0.03 -1.16 -0.38 0.00 -0.03 0.00 0.00 56.01 54.41 3kz4 n LEU 339 Cb 0.41 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3kz4 n LEU 339 CO 0.16 -0.41 -0.22 -0.69 -1.33 0.00 0.00 177.39 174.90 3kz4 s VAL 340 N -1.05 4.75 -0.36 4.08 1.01 -1.23 -4.93 120.40 122.67 3kz4 s VAL 340 Ca 0.14 -0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.67 3kz4 s VAL 340 Cb -0.01 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.93 3kz4 s VAL 340 CO 0.09 0.22 1.40 -1.54 0.00 0.00 0.00 175.10 175.28 3kz4 n SER 341 N 4.99 0.65 -0.10 3.32 3.41 -1.26 -4.76 113.62 119.87 3kz4 n SER 341 Ca -0.15 0.61 -0.03 0.00 -0.26 0.00 0.00 58.87 59.05 3kz4 n SER 341 Cb 0.51 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 3kz4 n SER 341 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kz4 n THR 342 N 4.06 -0.16 -0.08 6.66 -1.04 -1.26 -1.56 114.28 120.90 3kz4 n THR 342 Ca 0.34 1.26 -0.14 0.00 -2.04 0.00 0.00 64.05 63.47 3kz4 n THR 342 Cb -0.03 -1.63 -0.10 0.00 -1.82 0.00 0.00 70.33 66.75 3kz4 n THR 342 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3kz4 h GLU 343 N 0.00 -0.47 -0.89 -2.82 5.08 -2.00 -2.79 114.58 110.70 3kz4 h GLU 343 Ca 0.04 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3kz4 h GLU 343 Cb 0.10 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 3kz4 h GLU 343 CO -0.22 -0.31 -0.56 0.00 -1.00 0.00 0.00 179.01 176.92 3kz4 h ALA 344 N -0.14 -0.55 0.51 3.43 0.00 -1.63 -1.55 119.26 119.33 3kz4 h ALA 344 Ca 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kz4 h ALA 344 Cb 0.64 1.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3kz4 h ALA 344 CO -0.52 -0.94 -0.37 0.37 0.00 0.00 0.00 179.25 177.80 3kz4 h GLN 345 N -0.05 -0.82 -0.30 0.00 5.75 -1.30 -2.25 115.11 116.14 3kz4 h GLN 345 Ca 0.14 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.79 3kz4 h GLN 345 Cb 0.41 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3kz4 h GLN 345 CO -0.86 -0.55 0.32 0.82 -2.65 0.00 0.00 178.83 175.92 3kz4 h ILE 346 N -0.85 0.43 -0.08 2.39 2.04 -1.22 0.24 117.51 120.47 3kz4 h ILE 346 Ca -0.06 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 3kz4 h ILE 346 Cb 0.72 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3kz4 h ILE 346 CO 0.02 0.00 -0.35 -0.61 0.00 0.00 0.00 178.15 177.22 3kz4 h GLN 347 N 0.00 0.37 0.00 2.37 4.15 -0.70 -2.11 115.11 119.19 3kz4 h GLN 347 Ca 0.14 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 3kz4 h GLN 347 Cb 0.79 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 3kz4 h GLN 347 CO -0.00 0.93 -0.10 1.57 -1.93 0.00 0.00 178.83 179.31 3kz4 h LYS 348 N -0.10 0.00 -0.06 1.69 5.09 -0.93 -2.52 116.57 119.73 3kz4 h LYS 348 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.72 3kz4 h LYS 348 Cb 0.99 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.32 3kz4 h LYS 348 CO 0.07 0.10 0.03 1.98 -2.09 0.00 0.00 179.45 179.54 3kz4 h MET 349 N 0.00 0.08 -0.69 0.07 4.05 -0.61 -1.35 114.93 116.48 3kz4 h MET 349 Ca -0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3kz4 h MET 349 Cb 0.36 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 3kz4 h MET 349 CO 0.01 0.12 0.24 1.03 0.23 0.00 0.00 176.91 178.54 3kz4 h SER 350 N 0.02 0.98 -0.22 1.39 0.87 -0.95 1.83 113.55 117.47 3kz4 h SER 350 Ca 0.02 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3kz4 h SER 350 Cb 0.06 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 3kz4 h SER 350 CO -0.00 0.90 -0.08 1.56 -0.53 0.00 0.00 176.83 178.67 3kz4 h GLN 351 N 1.02 -0.05 0.21 2.24 4.20 -1.33 -2.25 115.11 119.15 3kz4 h GLN 351 Ca 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3kz4 h GLN 351 Cb 0.26 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3kz4 h GLN 351 CO -0.01 -0.03 -0.10 -0.44 -0.67 0.00 0.00 178.83 177.58 3kz4 h ASP 352 N -0.05 -0.24 -0.61 1.46 5.19 -0.88 -3.37 116.42 117.92 3kz4 h ASP 352 Ca 0.11 -0.28 0.14 0.00 -0.62 0.00 0.00 57.03 56.38 3kz4 h ASP 352 Cb 0.22 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 3kz4 h ASP 352 CO -0.25 0.29 0.42 0.25 -3.12 0.00 0.00 179.24 176.83 3kz4 h LEU 353 N -0.90 0.21 -2.44 1.55 6.46 0.29 -3.47 115.31 117.00 3kz4 h LEU 353 Ca -0.03 0.01 -0.26 0.00 -0.12 0.00 0.00 57.88 57.48 3kz4 h LEU 353 Cb 0.50 -0.03 0.19 0.00 -0.73 0.00 0.00 40.66 40.59 3kz4 h LEU 353 CO 0.05 0.11 -0.86 1.67 -0.62 0.00 0.00 178.44 178.79 3kz4 n GLN 354 N -4.43 -2.43 0.00 1.25 -0.06 -0.85 -4.77 117.38 106.08 3kz4 n GLN 354 Ca 0.11 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 55.96 3kz4 n GLN 354 Cb 0.53 -5.77 0.00 0.00 -4.06 0.00 0.00 30.24 20.94 3kz4 n GLN 354 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3kz4 n LEU 355 N -3.31 0.00 -4.57 1.69 7.94 -1.26 -4.15 117.00 113.34 3kz4 n LEU 355 Ca -0.08 0.03 -0.39 0.00 -1.11 0.00 0.00 56.01 54.46 3kz4 n LEU 355 Cb 0.62 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 3kz4 n LEU 355 CO 0.59 0.00 1.58 -0.70 -1.11 0.00 0.00 177.39 177.75 3kz4 s GLU 356 N -0.05 3.47 -0.56 1.96 2.56 -1.26 -4.88 118.70 119.93 3kz4 s GLU 356 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 54.97 53.80 3kz4 s GLU 356 Cb 0.00 -5.35 0.17 0.00 2.00 0.00 0.00 34.13 30.94 3kz4 s GLU 356 CO 0.00 -2.50 0.41 0.00 -0.56 0.00 0.00 175.26 172.61 3kz4 s ALA 357 N 5.91 2.70 0.00 6.30 0.00 -1.26 -4.98 121.76 130.44 3kz4 s ALA 357 Ca 0.53 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 49.32 3kz4 s ALA 357 Cb -0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3kz4 s ALA 357 CO -0.03 -2.05 0.00 -0.11 0.00 0.00 0.00 175.76 173.57 3kz4 n LEU 358 N 2.49 0.00 -2.26 0.00 0.00 -1.26 -4.96 117.00 111.00 3kz4 n LEU 358 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.98 3kz4 n LEU 358 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.80 3kz4 n LEU 358 CO 0.20 0.00 0.02 0.35 0.00 0.00 0.00 177.39 177.96 3kz4 n THR 359 N 0.00 0.93 -3.66 1.96 -2.24 -1.26 -4.91 114.28 105.10 3kz4 n THR 359 Ca 0.00 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 3kz4 n THR 359 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3kz4 n THR 359 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kz4 s ILE 360 N -0.47 4.14 0.00 2.28 1.09 -1.26 -4.49 121.20 122.49 3kz4 s ILE 360 Ca 0.34 -3.44 0.00 0.00 -1.10 0.00 0.00 60.65 56.45 3kz4 s ILE 360 Cb -0.49 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.29 3kz4 s ILE 360 CO 0.29 -1.00 0.00 1.67 -0.10 0.00 0.00 174.94 175.80 3kz4 n GLN 361 N 2.87 0.00 -1.42 2.79 -0.06 -1.26 -5.17 117.38 115.13 3kz4 n GLN 361 Ca 0.16 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.84 3kz4 n GLN 361 Cb 0.38 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.63 3kz4 n GLN 361 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3kz4 s SER 362 N 0.00 4.83 -1.66 1.69 0.15 -1.26 -3.93 113.70 113.52 3kz4 s SER 362 Ca 0.00 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.44 3kz4 s SER 362 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3kz4 s SER 362 CO 0.00 -1.81 0.00 1.21 1.20 0.00 0.00 173.24 173.84 3kz4 n GLU 363 N -3.24 -1.11 -0.08 5.44 4.07 -1.26 -4.82 120.64 119.64 3kz4 n GLU 363 Ca 0.09 1.04 0.03 0.00 -0.06 0.00 0.00 57.16 58.26 3kz4 n GLU 363 Cb 0.53 -5.22 0.08 0.00 -0.06 0.00 0.00 31.44 26.77 3kz4 n GLU 363 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3kz4 n THR 364 N -2.63 0.77 -0.03 6.31 -1.04 -1.25 -4.34 114.28 112.07 3kz4 n THR 364 Ca -0.16 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 60.97 3kz4 n THR 364 Cb 0.53 0.64 -0.08 0.00 -1.82 0.00 0.00 70.33 69.60 3kz4 n THR 364 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kz4 n GLN 365 N 0.16 1.32 -0.11 -2.82 6.02 -1.26 -4.55 117.38 116.15 3kz4 n GLN 365 Ca 0.06 -0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 3kz4 n GLN 365 Cb 0.31 -1.26 0.31 0.00 1.02 0.00 0.00 30.24 30.62 3kz4 n GLN 365 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3kz4 n PHE 366 N -2.12 0.29 0.57 1.08 3.01 -1.26 -3.94 117.46 115.09 3kz4 n PHE 366 Ca -0.09 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.22 3kz4 n PHE 366 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 3kz4 n PHE 366 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kz4 n LEU 367 N 0.74 0.05 -0.25 4.37 4.77 -1.26 -2.80 117.00 122.62 3kz4 n LEU 367 Ca 0.17 -0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 3kz4 n LEU 367 Cb 0.43 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 41.83 3kz4 n LEU 367 CO 0.14 0.01 1.23 0.74 -1.33 0.00 0.00 177.39 178.18 3kz4 h THR 368 N 0.00 0.95 0.00 -5.08 2.02 -1.93 -3.45 112.91 105.41 3kz4 h THR 368 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3kz4 h THR 368 Cb 0.03 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3kz4 h THR 368 CO 0.00 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.64 3kz4 n GLY 369 N -1.43 0.00 1.69 2.16 0.00 -1.12 -3.95 105.19 102.55 3kz4 n GLY 369 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3kz4 n GLY 369 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kz4 n ILE 370 N -0.87 -0.04 -0.32 -0.61 5.41 -1.26 -4.71 119.36 116.95 3kz4 n ILE 370 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3kz4 n ILE 370 Cb 0.00 -0.77 0.08 0.00 -0.71 0.00 0.00 39.64 38.24 3kz4 n ILE 370 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3kz4 h ASN 371 N 0.00 1.00 0.00 4.38 4.21 -1.96 0.43 115.58 123.64 3kz4 h ASN 371 Ca -0.16 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.32 3kz4 h ASN 371 Cb 0.58 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3kz4 h ASN 371 CO 0.23 0.74 0.74 0.28 -1.29 0.00 0.00 177.43 178.13 3kz4 h SER 372 N 1.17 0.00 0.00 5.81 0.02 -1.94 -0.97 113.55 117.65 3kz4 h SER 372 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3kz4 h SER 372 Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3kz4 h SER 372 CO -0.07 0.00 -0.39 1.67 -1.14 0.00 0.00 176.83 176.90 3kz4 n GLN 373 N -2.58 0.21 -0.17 3.45 -0.06 0.33 -4.54 117.38 114.02 3kz4 n GLN 373 Ca -0.01 0.08 0.07 0.00 -2.00 0.00 0.00 57.00 55.15 3kz4 n GLN 373 Cb 0.76 -0.79 0.15 0.00 -4.06 0.00 0.00 30.24 26.29 3kz4 n GLN 373 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kz4 n ALA 374 N -3.48 0.26 -0.09 1.69 0.00 0.13 0.19 120.51 119.20 3kz4 n ALA 374 Ca -0.05 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 3kz4 n ALA 374 Cb 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 3kz4 n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 h ALA 375 N 1.01 0.38 -0.57 0.00 0.00 -1.43 0.54 119.26 119.19 3kz4 h ALA 375 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kz4 h ALA 375 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3kz4 h ALA 375 CO -0.47 -0.08 0.33 -0.97 0.00 0.00 0.00 179.25 178.06 3kz4 h ASN 376 N 0.36 0.70 0.49 0.00 -1.24 0.19 0.28 115.58 116.35 3kz4 h ASN 376 Ca 0.10 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3kz4 h ASN 376 Cb 0.08 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3kz4 h ASN 376 CO -0.02 0.57 -0.23 -0.78 -1.29 0.00 0.00 177.43 175.68 3kz4 h ASP 377 N 0.77 -0.55 -0.98 1.15 1.82 -0.89 -0.99 116.42 116.75 3kz4 h ASP 377 Ca 0.20 -0.06 0.18 0.00 -0.39 0.00 0.00 57.03 56.97 3kz4 h ASP 377 Cb 0.01 0.14 -0.10 0.00 0.68 0.00 0.00 39.33 40.06 3kz4 h ASP 377 CO -0.04 -0.27 0.58 0.00 -1.61 0.00 0.00 179.24 177.91 3kz4 h PHE 379 N 0.75 -0.08 0.00 0.00 3.57 -0.27 -1.75 116.94 119.17 3kz4 h PHE 379 Ca 0.56 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.05 3kz4 h PHE 379 Cb 0.83 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3kz4 h PHE 379 CO -0.02 -0.05 0.00 1.63 -2.23 0.00 0.00 178.31 177.64 3kz4 n LYS 380 N -2.29 0.00 -0.18 1.11 5.02 -0.39 -1.20 118.16 120.23 3kz4 n LYS 380 Ca -0.01 0.78 0.02 0.00 -2.02 0.00 0.00 58.31 57.08 3kz4 n LYS 380 Cb 0.04 -1.36 0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3kz4 n LYS 380 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kz4 n THR 381 N -2.30 -0.22 0.02 -0.18 -1.04 0.72 0.29 114.28 111.57 3kz4 n THR 381 Ca 0.00 1.14 -0.11 0.00 -2.04 0.00 0.00 64.05 63.04 3kz4 n THR 381 Cb 0.00 -1.55 -0.05 0.00 -1.82 0.00 0.00 70.33 66.91 3kz4 n THR 381 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kz4 h LEU 382 N 0.00 -0.14 0.07 -4.42 4.07 -0.20 -2.37 115.31 112.31 3kz4 h LEU 382 Ca 0.22 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 3kz4 h LEU 382 Cb 0.34 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3kz4 h LEU 382 CO -0.50 -0.06 -0.04 0.40 -1.08 0.00 0.00 178.44 177.15 3kz4 h ILE 383 N -0.05 0.00 -0.83 1.22 1.08 0.17 -2.84 117.51 116.27 3kz4 h ILE 383 Ca 0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.64 3kz4 h ILE 383 Cb 0.11 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.73 3kz4 h ILE 383 CO -0.09 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.05 3kz4 n ALA 384 N -2.15 -0.09 -0.37 1.87 0.00 -1.12 0.17 120.51 118.82 3kz4 n ALA 384 Ca -0.01 0.83 -0.09 0.00 0.00 0.00 0.00 53.44 54.17 3kz4 n ALA 384 Cb 0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 3kz4 n ALA 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 n ALA 385 N -3.57 -0.53 -0.06 0.00 0.00 -0.89 0.76 120.51 116.22 3kz4 n ALA 385 Ca 0.09 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.30 3kz4 n ALA 385 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3kz4 n ALA 385 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kz4 n MET 386 N -5.14 0.00 0.00 0.00 2.00 0.45 -0.31 117.12 114.12 3kz4 n MET 386 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 57.70 58.37 3kz4 n MET 386 Cb 0.25 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.00 3kz4 n MET 386 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3kz4 n LEU 387 N -2.26 0.00 -0.46 4.03 4.77 -0.61 -0.66 117.00 121.82 3kz4 n LEU 387 Ca 0.00 0.68 0.34 0.00 -0.03 0.00 0.00 56.01 57.01 3kz4 n LEU 387 Cb 0.00 -0.18 0.53 0.00 -2.33 0.00 0.00 43.42 41.44 3kz4 n LEU 387 CO 0.00 -0.18 0.96 -0.24 -1.33 0.00 0.00 177.39 176.60 3kz4 n SER 388 N -1.55 0.00 -1.31 -1.43 2.88 0.23 -4.66 113.62 107.78 3kz4 n SER 388 Ca 0.00 0.64 -0.05 0.00 -1.33 0.00 0.00 58.87 58.13 3kz4 n SER 388 Cb 0.00 -0.32 0.02 0.00 -0.75 0.00 0.00 64.21 63.16 3kz4 n SER 388 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kz4 n GLN 389 N -3.25 -1.85 -2.56 -1.46 1.13 0.17 -4.66 117.38 104.90 3kz4 n GLN 389 Ca 0.29 0.20 -0.24 0.00 -1.94 0.00 0.00 57.00 55.31 3kz4 n GLN 389 Cb 1.30 -3.31 0.12 0.00 0.11 0.00 0.00 30.24 28.46 3kz4 n GLN 389 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kz4 s ARG 390 N -5.11 1.55 -0.05 -1.09 6.06 0.57 -4.58 118.95 116.30 3kz4 s ARG 390 Ca 0.11 -1.12 -0.04 0.00 -2.50 0.00 0.00 55.73 52.18 3kz4 s ARG 390 Cb -0.05 -2.30 0.01 0.00 0.06 0.00 0.00 34.95 32.68 3kz4 s ARG 390 CO 0.17 -1.55 0.13 0.99 -2.50 0.00 0.00 175.30 172.54 3kz4 s THR 391 N -3.20 -0.00 0.13 4.11 2.01 -1.26 -4.76 115.64 112.66 3kz4 s THR 391 Ca 0.67 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.70 3kz4 s THR 391 Cb -0.05 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 3kz4 s THR 391 CO 0.45 0.00 0.05 0.23 -0.69 0.00 0.00 174.62 174.67 3kz4 n MET 392 N 3.08 0.72 -1.66 4.92 0.00 -1.26 -4.10 117.12 118.82 3kz4 n MET 392 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 57.70 56.45 3kz4 n MET 392 Cb 0.59 0.65 0.00 0.00 0.00 0.00 0.00 33.22 34.46 3kz4 n MET 392 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3kz4 n SER 393 N -1.99 0.37 -3.72 7.83 2.88 -1.24 -2.99 113.62 114.75 3kz4 n SER 393 Ca -0.01 -0.83 -0.15 0.00 -1.33 0.00 0.00 58.87 56.55 3kz4 n SER 393 Cb 0.20 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 3kz4 n SER 393 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kz4 s LEU 394 N 0.00 0.47 0.00 2.46 1.43 -1.26 -3.10 118.68 118.68 3kz4 s LEU 394 Ca 0.00 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3kz4 s LEU 394 Cb 0.00 0.28 -0.18 0.00 0.03 0.00 0.00 46.19 46.32 3kz4 s LEU 394 CO 0.00 -0.18 2.92 -0.67 0.23 0.00 0.00 176.35 178.65 3kz4 n ASP 395 N 4.61 4.65 -4.74 2.29 -0.08 -1.24 -4.84 116.55 117.20 3kz4 n ASP 395 Ca -0.19 -2.34 -0.41 0.00 -1.51 0.00 0.00 54.79 50.34 3kz4 n ASP 395 Cb 0.51 -1.20 -0.03 0.00 2.34 0.00 0.00 41.12 42.74 3kz4 n ASP 395 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3kz4 s PHE 396 N 1.01 3.29 -0.39 -0.67 5.36 -1.26 -4.44 117.98 120.87 3kz4 s PHE 396 Ca 0.46 1.25 -0.10 0.00 -0.96 0.00 0.00 56.93 57.58 3kz4 s PHE 396 Cb 0.22 -3.57 0.05 0.00 -0.34 0.00 0.00 43.02 39.38 3kz4 s PHE 396 CO 0.00 -1.75 0.22 0.14 -1.46 0.00 0.00 175.22 172.37 3kz4 s VAL 397 N 0.16 4.33 0.21 3.12 -7.23 -1.26 -5.04 120.40 114.69 3kz4 s VAL 397 Ca 0.56 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.42 3kz4 s VAL 397 Cb -0.35 -3.53 0.21 0.00 0.56 0.00 0.00 36.38 33.26 3kz4 s VAL 397 CO 0.37 -0.36 1.60 0.74 -0.31 0.00 0.00 175.10 177.14 3kz4 h THR 398 N 6.00 0.22 0.00 5.32 2.02 -1.98 -3.09 112.91 121.40 3kz4 h THR 398 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3kz4 h THR 398 Cb 1.09 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kz4 h THR 398 CO 0.70 0.00 0.00 0.41 0.37 0.00 0.00 175.52 177.00 3kz4 n THR 399 N -5.46 0.00 -0.95 3.16 -1.04 -1.26 -4.34 114.28 104.40 3kz4 n THR 399 Ca 0.07 1.30 -0.08 0.00 -2.04 0.00 0.00 64.05 63.30 3kz4 n THR 399 Cb 0.36 -2.04 -0.09 0.00 -1.82 0.00 0.00 70.33 66.74 3kz4 n THR 399 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kz4 n ASN 400 N -1.84 -1.32 -0.09 8.00 2.85 -1.17 -4.80 115.26 116.90 3kz4 n ASN 400 Ca 0.00 -0.74 -0.07 0.00 -0.11 0.00 0.00 54.58 53.66 3kz4 n ASN 400 Cb 0.00 -0.43 0.01 0.00 1.24 0.00 0.00 39.78 40.60 3kz4 n ASN 400 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 3kz4 h TYR 401 N 7.60 0.15 -0.30 1.20 -1.99 -1.85 -2.94 116.97 118.84 3kz4 h TYR 401 Ca 0.02 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.80 3kz4 h TYR 401 Cb 0.81 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 39.47 3kz4 h TYR 401 CO 1.15 0.05 -0.38 1.98 -0.00 0.00 0.00 178.16 180.96 3kz4 h MET 402 N 0.21 -0.24 -1.77 4.88 4.05 -1.96 0.77 114.93 120.87 3kz4 h MET 402 Ca 0.15 0.02 0.51 0.00 -0.28 0.00 0.00 59.70 60.10 3kz4 h MET 402 Cb 0.15 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.93 3kz4 h MET 402 CO -0.18 -0.16 1.38 0.77 0.23 0.00 0.00 176.91 178.95 3kz4 h SER 403 N -0.25 0.00 0.07 1.39 0.02 -1.86 0.88 113.55 113.80 3kz4 h SER 403 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kz4 h SER 403 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3kz4 h SER 403 CO -0.42 0.00 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.17 3kz4 h LEU 404 N 0.00 -0.08 -0.49 5.07 4.07 0.53 -3.08 115.31 121.33 3kz4 h LEU 404 Ca 0.84 -0.53 0.04 0.00 0.08 0.00 0.00 57.88 58.32 3kz4 h LEU 404 Cb 3.60 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 45.30 3kz4 h LEU 404 CO -0.01 0.62 -0.29 -0.38 -1.08 0.00 0.00 178.44 177.30 3kz4 n ILE 405 N -4.79 -0.33 -0.35 1.22 5.41 0.30 0.28 119.36 121.10 3kz4 n ILE 405 Ca -0.07 1.77 0.26 0.00 1.00 0.00 0.00 62.75 65.70 3kz4 n ILE 405 Cb 0.29 -2.24 0.54 0.00 -0.71 0.00 0.00 39.64 37.52 3kz4 n ILE 405 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kz4 h SER 406 N 0.00 0.41 -0.71 4.38 4.64 -1.59 0.67 113.55 121.35 3kz4 h SER 406 Ca 0.08 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.66 3kz4 h SER 406 Cb 0.20 0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.22 3kz4 h SER 406 CO -0.46 0.02 0.07 1.23 -0.87 0.00 0.00 176.83 176.82 3kz4 h GLY 407 N 0.33 0.87 0.54 -0.77 0.00 0.42 1.39 103.07 105.85 3kz4 h GLY 407 Ca 0.65 0.05 0.17 0.00 0.00 0.00 0.00 47.33 48.20 3kz4 h GLY 407 CO -0.34 -0.23 0.54 -0.33 0.00 0.00 0.00 176.54 176.18 3kz4 h MET 408 N 0.17 0.36 0.62 4.80 2.07 0.73 0.26 114.93 123.93 3kz4 h MET 408 Ca 0.39 -0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.97 3kz4 h MET 408 Cb 0.67 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 3kz4 h MET 408 CO -0.57 0.23 -0.31 2.35 1.07 0.00 0.00 176.91 179.68 3kz4 h TRP 409 N 0.37 -0.81 -0.92 -0.22 -0.00 0.19 -0.46 115.95 114.10 3kz4 h TRP 409 Ca 0.40 -0.02 0.10 0.00 -0.00 0.00 0.00 58.89 59.38 3kz4 h TRP 409 Cb 1.02 0.27 -0.12 0.00 -0.00 0.00 0.00 29.16 30.33 3kz4 h TRP 409 CO -0.00 -0.49 -0.48 1.28 -0.00 0.00 0.00 178.44 178.75 3kz4 n LEU 410 N -4.33 -0.84 0.23 0.65 4.77 0.78 0.69 117.00 118.94 3kz4 n LEU 410 Ca -0.10 1.62 0.06 0.00 -0.03 0.00 0.00 56.01 57.55 3kz4 n LEU 410 Cb 0.34 -0.26 0.53 0.00 -2.33 0.00 0.00 43.42 41.69 3kz4 n LEU 410 CO 0.25 -1.37 0.92 -0.07 -1.33 0.00 0.00 177.39 175.80 3kz4 h LEU 411 N 0.00 0.00 -1.86 2.23 3.38 -1.12 -1.44 115.31 116.49 3kz4 h LEU 411 Ca 0.20 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3kz4 h LEU 411 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kz4 h LEU 411 CO -0.88 0.16 0.24 0.74 0.09 0.00 0.00 178.44 178.79 3kz4 h THR 412 N 0.00 0.91 0.00 0.22 2.02 0.20 -3.40 112.91 112.86 3kz4 h THR 412 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kz4 h THR 412 Cb 0.28 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3kz4 h THR 412 CO 0.02 0.03 0.00 0.52 0.37 0.00 0.00 175.52 176.46 3kz4 n VAL 413 N -4.47 0.00 -0.68 3.16 0.31 -0.61 -4.96 118.33 111.09 3kz4 n VAL 413 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 3kz4 n VAL 413 Cb 0.30 -0.02 -0.06 0.00 -0.91 0.00 0.00 33.84 33.15 3kz4 n VAL 413 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kz4 n VAL 414 N 0.00 0.00 -1.50 2.52 0.31 -0.83 -4.60 118.33 114.23 3kz4 n VAL 414 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3kz4 n VAL 414 Cb 0.00 -0.25 -0.08 0.00 -0.91 0.00 0.00 33.84 32.60 3kz4 n VAL 414 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kz4 n PRO 415 N 3.46 0.80 -0.17 5.55 -0.02 -1.26 -4.63 135.00 138.73 3kz4 n PRO 415 Ca 0.26 0.11 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3kz4 n PRO 415 Cb -0.02 -2.61 0.22 0.00 -0.02 0.00 0.00 33.50 31.06 3kz4 n PRO 415 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kz4 n ASN 416 N 12.44 0.05 -0.24 2.55 6.94 -1.26 -0.84 115.26 134.89 3kz4 n ASN 416 Ca 0.46 0.85 0.20 0.00 -0.02 0.00 0.00 54.58 56.07 3kz4 n ASN 416 Cb 0.31 -0.36 0.30 0.00 -2.36 0.00 0.00 39.78 37.67 3kz4 n ASN 416 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3kz4 n ASP 417 N -4.40 0.00 -3.10 0.53 2.03 -1.26 -1.36 116.55 108.99 3kz4 n ASP 417 Ca 0.15 0.39 -0.28 0.00 0.52 0.00 0.00 54.79 55.58 3kz4 n ASP 417 Cb 0.51 -0.18 -0.05 0.00 -0.72 0.00 0.00 41.12 40.68 3kz4 n ASP 417 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kz4 n MET 418 N -2.60 3.21 -3.71 -0.67 0.00 -0.02 -4.95 117.12 108.38 3kz4 n MET 418 Ca 0.16 -4.81 -0.13 0.00 0.00 0.00 0.00 57.70 52.93 3kz4 n MET 418 Cb 0.80 -2.26 -0.13 0.00 0.00 0.00 0.00 33.22 31.63 3kz4 n MET 418 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3kz4 s PHE 419 N -3.28 -0.37 -0.12 3.17 0.40 -0.47 -4.01 117.98 113.30 3kz4 s PHE 419 Ca 0.46 0.86 -0.38 0.00 -0.60 0.00 0.00 56.93 57.27 3kz4 s PHE 419 Cb 0.24 0.04 -0.16 0.00 0.51 0.00 0.00 43.02 43.66 3kz4 s PHE 419 CO -0.11 -0.27 1.62 1.51 0.70 0.00 0.00 175.22 178.68 3kz4 n ILE 420 N 4.51 0.22 -0.13 0.64 3.06 -1.16 -4.64 119.36 121.85 3kz4 n ILE 420 Ca -0.21 -0.04 0.11 0.00 -2.50 0.00 0.00 62.75 60.12 3kz4 n ILE 420 Cb 0.52 -1.18 0.21 0.00 0.54 0.00 0.00 39.64 39.74 3kz4 n ILE 420 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3kz4 n ARG 421 N 4.51 -0.03 0.42 9.51 0.63 -1.26 -1.86 116.66 128.59 3kz4 n ARG 421 Ca 0.23 0.57 -0.17 0.00 -0.92 0.00 0.00 57.85 57.56 3kz4 n ARG 421 Cb 0.17 -1.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.00 3kz4 n ARG 421 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kz4 h GLU 422 N 0.00 -1.06 -1.04 -0.14 3.07 -1.96 -1.96 114.58 111.49 3kz4 h GLU 422 Ca 0.32 0.07 0.29 0.00 -0.50 0.00 0.00 59.36 59.55 3kz4 h GLU 422 Cb 0.83 0.24 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 3kz4 h GLU 422 CO -0.33 -0.70 0.73 1.03 -1.40 0.00 0.00 179.01 178.34 3kz4 h SER 423 N -1.29 0.06 -0.23 1.42 0.87 -1.67 2.08 113.55 114.78 3kz4 h SER 423 Ca -0.11 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.32 3kz4 h SER 423 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3kz4 h SER 423 CO 0.18 0.02 -0.34 0.25 -0.53 0.00 0.00 176.83 176.41 3kz4 h LEU 424 N 0.06 0.79 0.05 2.23 5.85 -1.58 -2.58 115.31 120.13 3kz4 h LEU 424 Ca 0.50 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3kz4 h LEU 424 Cb 1.90 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 3kz4 h LEU 424 CO -0.04 1.06 -0.17 0.58 -0.34 0.00 0.00 178.44 179.52 3kz4 h VAL 425 N 0.63 0.00 0.00 1.05 2.07 0.42 -1.09 116.25 119.33 3kz4 h VAL 425 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kz4 h VAL 425 Cb 0.87 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3kz4 h VAL 425 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 3kz4 n ALA 426 N -2.59 -0.08 -0.05 1.67 0.00 -0.84 -2.07 120.51 116.56 3kz4 n ALA 426 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3kz4 n ALA 426 Cb 0.13 0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3kz4 n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 h GLN 428 N 0.00 -0.61 -0.98 0.00 3.07 -1.05 -1.16 115.11 114.37 3kz4 h GLN 428 Ca 0.02 0.04 0.20 0.00 0.09 0.00 0.00 58.65 59.00 3kz4 h GLN 428 Cb 0.05 0.14 -0.11 0.00 0.08 0.00 0.00 27.48 27.64 3kz4 h GLN 428 CO -0.12 -0.41 0.58 1.25 0.09 0.00 0.00 178.83 180.22 3kz4 h LEU 429 N -0.64 0.72 -1.17 0.06 5.85 -0.81 0.54 115.31 119.87 3kz4 h LEU 429 Ca 0.03 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3kz4 h LEU 429 Cb 0.70 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3kz4 h LEU 429 CO -0.34 0.23 0.57 0.00 -0.34 0.00 0.00 178.44 178.55 3kz4 h ALA 430 N 1.65 1.44 0.08 1.25 0.00 0.04 0.32 119.26 124.03 3kz4 h ALA 430 Ca 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 3kz4 h ALA 430 Cb 0.93 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kz4 h ALA 430 CO -0.40 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.12 3kz4 h ILE 431 N 1.10 0.00 -0.91 0.00 2.04 0.87 -2.51 117.51 118.12 3kz4 h ILE 431 Ca 0.33 -0.06 0.17 0.00 1.00 0.00 0.00 64.86 66.30 3kz4 h ILE 431 Cb -0.03 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.89 3kz4 h ILE 431 CO -0.09 0.00 -0.28 0.52 0.00 0.00 0.00 178.15 178.30 3kz4 n VAL 432 N -2.44 -0.42 0.01 1.67 0.31 0.14 -0.78 118.33 116.82 3kz4 n VAL 432 Ca -0.01 2.09 -0.02 0.00 -0.01 0.00 0.00 64.34 66.39 3kz4 n VAL 432 Cb 0.04 -2.85 -0.01 0.00 -0.91 0.00 0.00 33.84 30.11 3kz4 n VAL 432 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3kz4 h ASN 433 N 0.00 -0.13 0.00 4.52 4.21 -0.48 -3.30 115.58 120.40 3kz4 h ASN 433 Ca 0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.90 3kz4 h ASN 433 Cb 0.62 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 3kz4 h ASN 433 CO -0.92 0.36 0.00 0.41 -1.29 0.00 0.00 177.43 175.99 3kz4 n THR 434 N -4.88 0.87 -3.84 2.81 -1.04 -0.94 -4.57 114.28 102.69 3kz4 n THR 434 Ca -0.02 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 3kz4 n THR 434 Cb 0.06 -0.93 0.02 0.00 -1.82 0.00 0.00 70.33 67.66 3kz4 n THR 434 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kz4 s ILE 435 N -0.07 0.00 0.00 12.58 1.01 0.04 -4.93 121.20 129.83 3kz4 s ILE 435 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3kz4 s ILE 435 Cb 0.00 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3kz4 s ILE 435 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 174.94 177.24 3kz4 n ILE 436 N -0.60 0.00 -0.05 2.92 -5.35 -1.26 -3.28 119.36 111.73 3kz4 n ILE 436 Ca -0.06 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.46 3kz4 n ILE 436 Cb 0.60 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.57 3kz4 n ILE 436 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3kz4 n TYR 437 N 0.00 0.15 -0.05 4.28 4.02 -1.24 -0.17 117.16 124.14 3kz4 n TYR 437 Ca 0.00 0.19 -0.04 0.00 -0.01 0.00 0.00 57.90 58.04 3kz4 n TYR 437 Cb 0.00 -0.65 -0.01 0.00 -0.02 0.00 0.00 39.34 38.66 3kz4 n TYR 437 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3kz4 n PRO 438 N -3.64 0.30 0.32 -0.72 -0.04 -1.21 -0.54 135.00 129.48 3kz4 n PRO 438 Ca 0.05 0.37 0.17 0.00 -0.04 0.00 0.00 63.50 64.05 3kz4 n PRO 438 Cb 0.17 -1.31 0.92 0.00 -0.04 0.00 0.00 33.50 33.24 3kz4 n PRO 438 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kz4 h ALA 439 N -1.36 1.20 0.00 0.55 0.00 -1.59 1.15 119.26 119.22 3kz4 h ALA 439 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kz4 h ALA 439 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kz4 h ALA 439 CO 0.00 -0.20 -1.28 0.34 0.00 0.00 0.00 179.25 178.11 3kz4 n PHE 440 N -2.88 0.79 0.00 0.00 7.35 0.75 -2.63 117.46 120.85 3kz4 n PHE 440 Ca -0.02 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3kz4 n PHE 440 Cb 0.26 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.18 3kz4 n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kz4 n GLY 441 N 1.25 2.06 0.00 7.13 0.00 0.40 -4.98 105.19 111.05 3kz4 n GLY 441 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kz4 n GLY 441 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kz4 n MET 442 N -2.00 -1.11 0.00 1.61 0.00 0.30 -4.48 117.12 111.44 3kz4 n MET 442 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3kz4 n MET 442 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3kz4 n MET 442 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3kz4 n GLN 443 N -1.47 0.00 0.00 2.12 7.27 -1.26 -4.51 117.38 119.53 3kz4 n GLN 443 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 3kz4 n GLN 443 Cb 0.00 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.03 3kz4 n GLN 443 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3kz4 n ARG 444 N 0.00 0.78 -0.50 3.69 1.74 -1.26 -2.48 116.66 118.64 3kz4 n ARG 444 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3kz4 n ARG 444 Cb 0.00 -1.26 0.16 0.00 -1.02 0.00 0.00 32.46 30.34 3kz4 n ARG 444 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kz4 n MET 445 N -0.76 2.43 0.00 5.56 2.81 -1.26 -4.91 117.12 120.99 3kz4 n MET 445 Ca 0.10 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 3kz4 n MET 445 Cb 0.04 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 3kz4 n MET 445 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kz4 n HIS 446 N 0.08 0.00 0.00 2.03 8.25 -1.03 -4.61 115.22 119.93 3kz4 n HIS 446 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3kz4 n HIS 446 Cb 0.85 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 3kz4 n HIS 446 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kz4 n TYR 447 N 0.00 0.00 -3.08 4.41 9.36 -1.26 -4.45 117.16 122.14 3kz4 n TYR 447 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 3kz4 n TYR 447 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3kz4 n TYR 447 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3kz4 s ARG 448 N -1.70 0.58 -0.18 2.98 0.52 -1.26 -5.15 118.95 114.74 3kz4 s ARG 448 Ca 0.00 -0.11 -0.07 0.00 -0.52 0.00 0.00 55.73 55.03 3kz4 s ARG 448 Cb 0.00 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 3kz4 s ARG 448 CO 0.00 -0.87 0.05 1.21 0.02 0.00 0.00 175.30 175.71 3kz4 s ASN 449 N 2.03 5.54 -0.15 0.23 3.84 -1.26 -4.97 114.94 120.20 3kz4 s ASN 449 Ca 0.16 0.07 -0.14 0.00 0.21 0.00 0.00 52.86 53.15 3kz4 s ASN 449 Cb -0.02 -1.94 -0.06 0.00 -0.55 0.00 0.00 41.25 38.68 3kz4 s ASN 449 CO -0.12 0.18 -0.28 0.61 -2.79 0.00 0.00 177.10 174.70 3kz4 n GLY 450 N 3.49 -0.42 0.00 1.21 0.00 -1.26 -5.02 105.19 103.18 3kz4 n GLY 450 Ca -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kz4 n GLY 450 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kz4 n ASP 451 N -4.21 0.00 -0.58 1.61 4.64 -1.26 -5.17 116.55 111.58 3kz4 n ASP 451 Ca -0.20 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.21 3kz4 n ASP 451 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 3kz4 n ASP 451 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3kz4 n PRO 452 N 0.00 3.15 -4.63 -0.67 -0.02 -1.26 -4.99 135.00 126.58 3kz4 n PRO 452 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 3kz4 n PRO 452 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 3kz4 n PRO 452 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kz4 s GLN 453 N 0.00 3.41 -1.09 -0.52 1.11 -1.26 -4.77 119.66 116.54 3kz4 s GLN 453 Ca 0.00 -0.66 -0.22 0.00 0.01 0.00 0.00 55.36 54.48 3kz4 s GLN 453 Cb 0.00 -2.70 0.02 0.00 -1.01 0.00 0.00 33.01 29.32 3kz4 s GLN 453 CO 0.00 0.17 0.70 2.41 0.01 0.00 0.00 175.29 178.58 3kz4 n THR 454 N 3.67 -4.16 0.33 -0.19 -1.04 -1.26 -4.75 114.28 106.88 3kz4 n THR 454 Ca -0.18 -0.58 0.03 0.00 -2.04 0.00 0.00 64.05 61.28 3kz4 n THR 454 Cb 0.52 -3.27 0.15 0.00 -1.82 0.00 0.00 70.33 65.92 3kz4 n THR 454 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3kz4 h PRO 455 N -1.81 0.00 0.10 -2.82 0.11 -1.98 0.44 132.00 126.04 3kz4 h PRO 455 Ca -0.65 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.26 3kz4 h PRO 455 Cb 1.37 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.50 3kz4 h PRO 455 CO 0.47 0.00 -0.85 0.35 -0.21 0.00 0.00 178.00 177.75 3kz4 h PHE 456 N 0.00 0.67 0.00 0.65 3.57 -1.96 -3.44 116.94 116.43 3kz4 h PHE 456 Ca 0.00 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3kz4 h PHE 456 Cb 1.75 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.44 3kz4 h PHE 456 CO 0.00 1.30 0.00 0.94 -2.23 0.00 0.00 178.31 178.32 3kz4 n GLN 457 N -4.08 0.00 0.00 1.11 -0.06 0.15 -4.11 117.38 110.39 3kz4 n GLN 457 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 3kz4 n GLN 457 Cb 0.82 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.00 3kz4 n GLN 457 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 3kz4 n ILE 458 N 0.00 0.00 -0.09 1.69 -6.64 -1.25 -4.08 119.36 108.99 3kz4 n ILE 458 Ca 0.00 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 61.00 3kz4 n ILE 458 Cb 0.00 0.00 0.32 0.00 -1.44 0.00 0.00 39.64 38.52 3kz4 n ILE 458 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kz4 h ALA 459 N 0.00 1.53 -0.38 -1.28 0.00 -1.87 -2.95 119.26 114.32 3kz4 h ALA 459 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kz4 h ALA 459 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3kz4 h ALA 459 CO 0.00 0.40 0.01 1.49 0.00 0.00 0.00 179.25 181.15 3kz4 h GLU 460 N 0.74 0.12 -0.12 0.00 4.22 -1.88 -0.65 114.58 117.00 3kz4 h GLU 460 Ca 0.19 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.66 3kz4 h GLU 460 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kz4 h GLU 460 CO -0.03 0.08 0.21 1.96 -2.18 0.00 0.00 179.01 179.04 3kz4 h GLN 461 N 0.12 0.00 -1.73 1.92 4.20 -1.88 -3.18 115.11 114.56 3kz4 h GLN 461 Ca 0.19 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.39 3kz4 h GLN 461 Cb 0.26 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.63 3kz4 h GLN 461 CO -0.30 0.00 -0.96 0.00 -0.67 0.00 0.00 178.83 176.90 3kz4 n GLN 462 N -3.47 2.12 -3.72 1.46 10.64 -0.27 -5.04 117.38 119.10 3kz4 n GLN 462 Ca 0.00 -3.97 -0.13 0.00 -1.83 0.00 0.00 57.00 51.06 3kz4 n GLN 462 Cb 0.31 -1.85 -0.14 0.00 -0.86 0.00 0.00 30.24 27.70 3kz4 n GLN 462 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3kz4 s ILE 463 N -3.79 -0.12 -0.91 -0.39 1.01 -1.11 -4.96 121.20 110.93 3kz4 s ILE 463 Ca 0.41 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 3kz4 s ILE 463 Cb 0.37 -0.34 0.23 0.00 0.01 0.00 0.00 42.46 42.73 3kz4 s ILE 463 CO -0.09 0.08 0.82 -1.10 0.00 0.00 0.00 174.94 174.65 3kz4 s GLN 464 N 1.52 3.41 0.00 2.79 -1.52 -1.26 -4.73 119.66 119.87 3kz4 s GLN 464 Ca -0.06 -3.19 0.00 0.00 -1.95 0.00 0.00 55.36 50.16 3kz4 s GLN 464 Cb -0.11 -4.07 0.00 0.00 -0.22 0.00 0.00 33.01 28.61 3kz4 s GLN 464 CO -0.07 -1.25 0.00 -1.71 -0.25 0.00 0.00 175.29 172.00 3kz4 n ASN 465 N 2.54 0.00 -0.05 5.90 5.15 -1.26 -5.07 115.26 122.47 3kz4 n ASN 465 Ca 0.21 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.18 3kz4 n ASN 465 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 3kz4 n ASN 465 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3kz4 n PHE 466 N 0.00 -0.01 -0.23 1.20 3.01 -1.26 0.14 117.46 120.30 3kz4 n PHE 466 Ca 0.00 0.15 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 3kz4 n PHE 466 Cb 0.00 -0.54 -0.08 0.00 -0.01 0.00 0.00 39.48 38.86 3kz4 n PHE 466 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3kz4 h GLN 467 N 0.00 -0.12 -0.67 -1.08 1.08 -1.96 0.53 115.11 112.89 3kz4 h GLN 467 Ca 0.04 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 3kz4 h GLN 467 Cb 0.07 0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 27.41 3kz4 h GLN 467 CO -0.12 -0.08 -0.04 0.28 -0.95 0.00 0.00 178.83 177.92 3kz4 h VAL 468 N -0.12 0.41 -0.27 -0.54 2.07 0.88 -2.16 116.25 116.51 3kz4 h VAL 468 Ca 0.09 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3kz4 h VAL 468 Cb 0.37 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kz4 h VAL 468 CO -0.61 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.19 3kz4 h ALA 469 N 1.63 2.03 -0.02 1.67 0.00 0.35 -2.85 119.26 122.08 3kz4 h ALA 469 Ca 0.35 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 3kz4 h ALA 469 Cb 0.57 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kz4 h ALA 469 CO -0.61 -0.09 -1.01 -0.91 0.00 0.00 0.00 179.25 176.63 3kz4 h ASN 470 N 0.18 0.91 -0.45 0.00 2.35 -0.30 -3.22 115.58 115.05 3kz4 h ASN 470 Ca 0.12 -0.71 0.06 0.00 -0.55 0.00 0.00 56.30 55.22 3kz4 h ASN 470 Cb 0.26 -0.28 -0.09 0.00 0.05 0.00 0.00 38.32 38.26 3kz4 h ASN 470 CO -0.02 1.51 -0.51 -0.25 -1.65 0.00 0.00 177.43 176.52 3kz4 h TRP 471 N 0.41 -1.52 -0.48 1.19 7.01 -1.50 -0.33 115.95 120.73 3kz4 h TRP 471 Ca -0.12 0.08 0.09 0.00 2.11 0.00 0.00 58.89 61.05 3kz4 h TRP 471 Cb 1.66 0.73 -0.10 0.00 -2.10 0.00 0.00 29.16 29.35 3kz4 h TRP 471 CO 0.10 -0.47 -0.31 -0.07 -2.79 0.00 0.00 178.44 174.90 3kz4 h LEU 472 N -0.34 -1.06 -0.47 0.65 3.38 -1.58 0.42 115.31 116.31 3kz4 h LEU 472 Ca 0.11 0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 3kz4 h LEU 472 Cb 0.59 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3kz4 h LEU 472 CO -0.62 -0.30 -0.01 0.45 0.09 0.00 0.00 178.44 178.05 3kz4 h HIS 473 N -0.20 0.91 -0.64 1.13 3.86 -1.43 0.23 115.15 119.00 3kz4 h HIS 473 Ca 0.20 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3kz4 h HIS 473 Cb 0.53 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3kz4 h HIS 473 CO -0.57 0.87 0.29 0.35 0.86 0.00 0.00 177.93 179.73 3kz4 h PHE 474 N 0.68 0.94 -0.12 2.45 3.57 -0.27 -1.99 116.94 122.20 3kz4 h PHE 474 Ca 0.13 -0.05 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 3kz4 h PHE 474 Cb 0.51 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kz4 h PHE 474 CO 0.04 0.72 -0.79 0.28 -2.23 0.00 0.00 178.31 176.32 3kz4 h VAL 475 N 0.89 1.30 0.00 1.41 2.07 -0.05 -2.54 116.25 119.32 3kz4 h VAL 475 Ca 0.22 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3kz4 h VAL 475 Cb 0.15 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3kz4 h VAL 475 CO -0.02 0.64 0.00 -3.20 0.02 0.00 0.00 177.57 175.01 3kz4 n ASN 476 N -3.90 0.00 0.00 0.57 5.15 0.78 -4.47 115.26 113.39 3kz4 n ASN 476 Ca -0.07 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 3kz4 n ASN 476 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 3kz4 n ASN 476 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kz4 n ASN 477 N -0.65 0.00 -2.93 1.20 3.02 -0.77 -4.90 115.26 110.23 3kz4 n ASN 477 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.45 3kz4 n ASN 477 Cb 0.02 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3kz4 n ASN 477 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kz4 n ASN 478 N 0.00 -0.17 -0.41 6.41 6.94 -1.11 -4.53 115.26 122.38 3kz4 n ASN 478 Ca 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 54.58 54.08 3kz4 n ASN 478 Cb 0.00 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 3kz4 n ASN 478 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kz4 n GLN 479 N -2.12 0.00 -2.43 -3.83 1.13 -1.26 -4.46 117.38 104.42 3kz4 n GLN 479 Ca -0.04 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.92 3kz4 n GLN 479 Cb 0.22 -0.91 0.01 0.00 0.11 0.00 0.00 30.24 29.67 3kz4 n GLN 479 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3kz4 n PHE 480 N 0.25 -0.74 -0.03 1.08 7.35 -1.26 -4.35 117.46 119.77 3kz4 n PHE 480 Ca 0.00 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 3kz4 n PHE 480 Cb 0.00 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.25 3kz4 n PHE 480 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3kz4 n ARG 481 N -2.17 0.00 -1.70 -4.13 1.74 -1.25 -4.24 116.66 104.92 3kz4 n ARG 481 Ca -0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 3kz4 n ARG 481 Cb 0.57 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.96 3kz4 n ARG 481 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kz4 n GLN 482 N -0.00 1.60 -3.18 5.56 10.64 -1.26 -3.39 117.38 127.35 3kz4 n GLN 482 Ca 0.00 -2.23 0.02 0.00 -1.83 0.00 0.00 57.00 52.96 3kz4 n GLN 482 Cb 0.00 -3.38 -0.01 0.00 -0.86 0.00 0.00 30.24 25.99 3kz4 n GLN 482 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3kz4 s VAL 483 N 8.34 -0.99 -0.12 -0.39 1.01 -1.26 -4.97 120.40 122.03 3kz4 s VAL 483 Ca 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 3kz4 s VAL 483 Cb 0.06 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 36.01 3kz4 s VAL 483 CO 0.13 0.00 0.28 -0.69 0.00 0.00 0.00 175.10 174.82 3kz4 s VAL 484 N 2.32 -0.03 -0.42 2.92 1.01 -1.26 -4.75 120.40 120.19 3kz4 s VAL 484 Ca 0.13 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3kz4 s VAL 484 Cb -0.07 -0.42 0.19 0.00 0.00 0.00 0.00 36.38 36.08 3kz4 s VAL 484 CO -0.16 0.04 0.42 -0.38 0.00 0.00 0.00 175.10 175.02 3kz4 n ILE 485 N 3.85 -1.00 -3.38 2.22 5.41 -1.26 -3.50 119.36 121.71 3kz4 n ILE 485 Ca -0.21 -3.28 -0.21 0.00 1.00 0.00 0.00 62.75 60.05 3kz4 n ILE 485 Cb 0.55 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 3kz4 n ILE 485 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3kz4 s ASP 486 N -0.15 5.14 -0.20 4.38 -4.77 -1.25 -4.61 116.67 115.20 3kz4 s ASP 486 Ca 0.33 -0.77 -0.03 0.00 -3.30 0.00 0.00 52.55 48.79 3kz4 s ASP 486 Cb 0.07 -0.26 0.03 0.00 -1.09 0.00 0.00 42.92 41.66 3kz4 s ASP 486 CO -0.17 -0.89 0.06 0.61 0.70 0.00 0.00 175.17 175.48 3kz4 n GLY 487 N -1.79 -0.11 0.57 2.12 0.00 -1.26 -1.88 105.19 102.84 3kz4 n GLY 487 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kz4 n GLY 487 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kz4 n VAL 488 N -0.94 -0.76 -2.10 1.61 0.31 -1.26 -4.82 118.33 110.37 3kz4 n VAL 488 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3kz4 n VAL 488 Cb 0.12 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3kz4 n VAL 488 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3kz4 n LEU 489 N -0.19 -4.96 -2.79 7.52 0.00 -0.79 -5.08 117.00 110.72 3kz4 n LEU 489 Ca 0.00 2.72 -0.01 0.00 0.00 0.00 0.00 56.01 58.72 3kz4 n LEU 489 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 43.42 40.57 3kz4 n LEU 489 CO 0.00 -1.95 0.37 0.20 0.00 0.00 0.00 177.39 176.01 3kz4 s ASN 490 N -0.44 -0.64 -1.09 1.96 0.01 -1.25 -4.76 114.94 108.74 3kz4 s ASN 490 Ca 0.00 -0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 51.36 3kz4 s ASN 490 Cb 0.00 0.83 -0.15 0.00 0.41 0.00 0.00 41.25 42.33 3kz4 s ASN 490 CO 0.00 -0.05 1.98 0.00 -1.51 0.00 0.00 177.10 177.53 3kz4 n GLN 491 N 3.26 1.05 -2.92 -0.60 10.64 -1.23 -3.96 117.38 123.61 3kz4 n GLN 491 Ca 0.10 -2.14 -0.30 0.00 -1.83 0.00 0.00 57.00 52.84 3kz4 n GLN 491 Cb 0.62 -3.72 -0.03 0.00 -0.86 0.00 0.00 30.24 26.25 3kz4 n GLN 491 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3kz4 n VAL 492 N 8.11 3.58 0.00 -0.39 0.31 -1.25 -2.70 118.33 125.98 3kz4 n VAL 492 Ca 0.44 -5.64 0.00 0.00 -0.01 0.00 0.00 64.34 59.13 3kz4 n VAL 492 Cb 0.46 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3kz4 n VAL 492 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kz4 n LEU 493 N -0.13 0.00 0.00 7.52 4.77 -1.26 -4.88 117.00 123.02 3kz4 n LEU 493 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3kz4 n LEU 493 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kz4 n LEU 493 CO 0.38 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24 3kz4 n ASN 494 N 0.00 0.00 -3.60 -1.43 4.05 -1.22 -4.98 115.26 108.08 3kz4 n ASN 494 Ca 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 54.94 3kz4 n ASN 494 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 3kz4 n ASN 494 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 3kz4 s ASP 495 N -1.00 -0.32 0.00 1.20 -4.77 -1.26 -3.92 116.67 106.60 3kz4 s ASP 495 Ca 0.00 0.42 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 3kz4 s ASP 495 Cb 0.00 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.19 3kz4 s ASP 495 CO 0.00 -0.24 0.00 0.59 0.70 0.00 0.00 175.17 176.22 3kz4 n ASN 496 N 1.03 0.00 -0.01 2.11 4.13 -1.26 -4.58 115.26 116.68 3kz4 n ASN 496 Ca -0.09 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.16 3kz4 n ASN 496 Cb 0.58 0.00 0.26 0.00 -1.54 0.00 0.00 39.78 39.08 3kz4 n ASN 496 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3kz4 h ILE 497 N 0.00 1.22 -0.28 2.41 2.04 -2.01 0.16 117.51 121.06 3kz4 h ILE 497 Ca 0.00 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.97 3kz4 h ILE 497 Cb 0.00 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3kz4 h ILE 497 CO 0.00 0.31 -0.19 -0.09 0.00 0.00 0.00 178.15 178.18 3kz4 h ARG 498 N 0.50 -0.03 0.00 2.37 9.65 -1.95 0.43 114.38 125.36 3kz4 h ARG 498 Ca 0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3kz4 h ARG 498 Cb 0.42 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3kz4 h ARG 498 CO 0.02 -0.02 -0.00 -0.97 2.80 0.00 0.00 179.97 181.80 3kz4 h ASN 499 N -0.03 -0.00 0.00 -3.80 -0.73 -1.72 -0.38 115.58 108.92 3kz4 h ASN 499 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3kz4 h ASN 499 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 3kz4 h ASN 499 CO -0.28 -0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.39 3kz4 n GLY 500 N -1.00 0.00 0.00 1.57 0.00 0.51 -2.67 105.19 103.61 3kz4 n GLY 500 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3kz4 n GLY 500 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kz4 n HIS 501 N 0.00 0.00 0.03 1.61 -0.00 -1.12 -4.16 115.22 111.58 3kz4 n HIS 501 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 3kz4 n HIS 501 Cb 0.00 -0.07 0.08 0.00 -0.12 0.00 0.00 29.99 29.88 3kz4 n HIS 501 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3kz4 n VAL 502 N -1.52 1.35 0.00 3.57 0.31 -1.03 -4.60 118.33 116.41 3kz4 n VAL 502 Ca -0.00 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 3kz4 n VAL 502 Cb 0.08 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 3kz4 n VAL 502 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kz4 n ILE 503 N -1.50 0.00 0.00 2.52 5.41 -0.18 -4.54 119.36 121.07 3kz4 n ILE 503 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kz4 n ILE 503 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 3kz4 n ILE 503 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kz4 n ASN 504 N 0.00 0.00 -0.27 4.38 3.02 -1.26 0.65 115.26 121.78 3kz4 n ASN 504 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.74 3kz4 n ASN 504 Cb 0.00 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.53 3kz4 n ASN 504 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 n GLN 505 N -0.90 -0.06 0.24 3.52 0.00 -1.26 0.42 117.38 119.33 3kz4 n GLN 505 Ca 0.00 1.16 -0.16 0.00 0.00 0.00 0.00 57.00 58.00 3kz4 n GLN 505 Cb 0.00 -1.95 -0.08 0.00 0.00 0.00 0.00 30.24 28.21 3kz4 n GLN 505 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3kz4 h LEU 506 N 0.00 -0.46 -1.51 2.61 5.85 -0.17 1.02 115.31 122.65 3kz4 h LEU 506 Ca 0.59 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.44 3kz4 h LEU 506 Cb 1.41 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 3kz4 h LEU 506 CO -0.69 -0.33 0.48 0.24 -0.34 0.00 0.00 178.44 177.81 3kz4 h MET 507 N -0.54 0.51 0.13 1.25 2.86 0.82 0.20 114.93 120.16 3kz4 h MET 507 Ca -0.05 -0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.27 3kz4 h MET 507 Cb 0.41 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.97 3kz4 h MET 507 CO 0.09 0.34 -1.24 1.49 1.06 0.00 0.00 176.91 178.64 3kz4 h GLU 508 N 0.52 0.39 0.00 1.72 4.81 0.16 -0.46 114.58 121.72 3kz4 h GLU 508 Ca 0.34 -0.60 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kz4 h GLU 508 Cb 0.62 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3kz4 h GLU 508 CO -0.12 1.27 -0.00 0.00 -0.73 0.00 0.00 179.01 179.43 3kz4 h ALA 509 N 0.49 1.95 0.00 2.92 0.00 0.32 -1.30 119.26 123.64 3kz4 h ALA 509 Ca -0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kz4 h ALA 509 Cb 1.94 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 3kz4 h ALA 509 CO 0.22 0.00 -0.35 1.25 0.00 0.00 0.00 179.25 180.37 3kz4 h LEU 510 N 0.00 0.00 -1.52 0.00 5.85 -0.64 -3.24 115.31 115.76 3kz4 h LEU 510 Ca -0.00 -0.37 0.31 0.00 0.84 0.00 0.00 57.88 58.66 3kz4 h LEU 510 Cb 0.00 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 3kz4 h LEU 510 CO 0.00 0.88 0.75 -0.03 -0.34 0.00 0.00 178.44 179.70 3kz4 h MET 511 N -1.00 0.24 -0.07 1.25 4.05 -0.73 1.42 114.93 120.10 3kz4 h MET 511 Ca -0.07 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 3kz4 h MET 511 Cb 0.63 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 3kz4 h MET 511 CO -0.04 0.16 -0.42 1.96 0.23 0.00 0.00 176.91 178.81 3kz4 h GLN 512 N 0.25 0.16 -0.03 0.39 4.20 -1.39 -2.61 115.11 116.08 3kz4 h GLN 512 Ca 0.63 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 59.04 3kz4 h GLN 512 Cb 1.87 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.65 3kz4 h GLN 512 CO -0.25 0.55 -0.89 -0.07 -0.67 0.00 0.00 178.83 177.50 3kz4 h LEU 513 N 0.13 0.61 0.00 1.46 3.38 0.18 -3.22 115.31 117.85 3kz4 h LEU 513 Ca 0.01 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kz4 h LEU 513 Cb 0.80 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kz4 h LEU 513 CO 0.06 1.25 0.00 -1.20 0.09 0.00 0.00 178.44 178.64 3kz4 n SER 514 N -3.80 0.00 -2.45 -0.43 7.64 0.36 -1.99 113.62 112.94 3kz4 n SER 514 Ca -0.07 0.25 -0.16 0.00 1.01 0.00 0.00 58.87 59.91 3kz4 n SER 514 Cb 0.80 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.76 3kz4 n SER 514 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3kz4 n ARG 515 N -1.27 2.64 -3.71 1.43 1.85 -1.22 -4.89 116.66 111.50 3kz4 n ARG 515 Ca 0.01 -3.91 -0.30 0.00 -1.00 0.00 0.00 57.85 52.65 3kz4 n ARG 515 Cb 0.01 -1.91 -0.13 0.00 -1.05 0.00 0.00 32.46 29.37 3kz4 n ARG 515 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3kz4 s GLN 516 N -3.56 1.18 -0.48 2.89 -0.21 -0.84 -4.99 119.66 113.65 3kz4 s GLN 516 Ca 0.40 -1.85 0.06 0.00 0.02 0.00 0.00 55.36 53.99 3kz4 s GLN 516 Cb 0.39 -2.27 0.18 0.00 1.00 0.00 0.00 33.01 32.32 3kz4 s GLN 516 CO -0.03 -1.13 0.63 -0.65 -2.12 0.00 0.00 175.29 171.98 3kz4 s GLN 517 N 0.57 1.00 0.25 2.91 1.11 -1.26 -4.88 119.66 119.35 3kz4 s GLN 517 Ca 0.16 -1.16 -0.13 0.00 0.01 0.00 0.00 55.36 54.25 3kz4 s GLN 517 Cb -0.23 -0.31 -0.00 0.00 -1.01 0.00 0.00 33.01 31.45 3kz4 s GLN 517 CO -0.03 -1.32 0.47 -0.06 0.01 0.00 0.00 175.29 174.37 3kz4 s PHE 518 N 0.86 0.36 0.64 0.91 0.40 -1.08 -5.08 117.98 115.01 3kz4 s PHE 518 Ca 0.28 -0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 3kz4 s PHE 518 Cb -0.01 0.18 0.16 0.00 0.51 0.00 0.00 43.02 43.87 3kz4 s PHE 518 CO -0.08 -0.99 0.36 -0.35 0.70 0.00 0.00 175.22 174.87 3kz4 n PRO 519 N -0.38 -2.86 0.00 0.24 -0.04 -1.25 -4.55 135.00 126.15 3kz4 n PRO 519 Ca -0.02 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 3kz4 n PRO 519 Cb 0.62 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 3kz4 n PRO 519 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kz4 n THR 520 N -4.15 0.00 -3.26 0.52 -1.04 -1.26 -4.24 114.28 100.84 3kz4 n THR 520 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3kz4 n THR 520 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 3kz4 n THR 520 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3kz4 n MET 521 N 0.00 1.14 -1.24 -2.82 0.00 -1.26 -5.11 117.12 107.83 3kz4 n MET 521 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 3kz4 n MET 521 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.30 3kz4 n MET 521 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3kz4 n PRO 522 N 0.00 0.29 -0.07 3.17 -0.02 -1.26 -4.93 135.00 132.19 3kz4 n PRO 522 Ca 0.00 0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 3kz4 n PRO 522 Cb 0.00 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 3kz4 n PRO 522 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kz4 h VAL 523 N -0.47 1.28 0.00 -1.45 2.07 -2.03 -2.75 116.25 112.90 3kz4 h VAL 523 Ca -0.46 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3kz4 h VAL 523 Cb 1.34 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3kz4 h VAL 523 CO 0.43 0.46 0.00 0.47 0.02 0.00 0.00 177.57 178.95 3kz4 n ASP 524 N -4.09 0.00 -0.00 0.57 8.00 -1.26 -3.10 116.55 116.67 3kz4 n ASP 524 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.49 3kz4 n ASP 524 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3kz4 n ASP 524 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kz4 n TYR 525 N -0.55 0.00 -0.25 1.24 9.36 -1.04 -4.13 117.16 121.79 3kz4 n TYR 525 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 3kz4 n TYR 525 Cb 0.00 -0.02 0.15 0.00 -0.63 0.00 0.00 39.34 38.84 3kz4 n TYR 525 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 3kz4 h LYS 526 N -0.04 0.56 -0.14 2.98 2.10 -1.71 0.09 116.57 120.40 3kz4 h LYS 526 Ca 0.00 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3kz4 h LYS 526 Cb 0.04 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.22 3kz4 h LYS 526 CO 0.00 0.37 -0.15 -0.09 -2.00 0.00 0.00 179.45 177.58 3kz4 h ARG 527 N 0.58 -0.08 -0.72 0.07 2.43 -1.81 0.10 114.38 114.95 3kz4 h ARG 527 Ca 0.37 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 3kz4 h ARG 527 Cb 0.43 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 3kz4 h ARG 527 CO -0.30 -0.05 0.42 0.77 -1.51 0.00 0.00 179.97 179.30 3kz4 h SER 528 N -0.08 0.63 0.49 -3.80 0.02 -1.54 -2.43 113.55 106.83 3kz4 h SER 528 Ca 0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3kz4 h SER 528 Cb 0.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kz4 h SER 528 CO -0.18 0.40 -0.23 0.40 -1.14 0.00 0.00 176.83 176.08 3kz4 h ILE 529 N 0.76 0.00 -0.63 3.27 2.04 -0.47 -3.01 117.51 119.48 3kz4 h ILE 529 Ca 0.32 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.14 3kz4 h ILE 529 Cb 0.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 3kz4 h ILE 529 CO -0.19 0.00 0.41 0.06 0.00 0.00 0.00 178.15 178.43 3kz4 h GLN 530 N -0.71 0.83 -0.94 2.37 3.07 -0.85 -1.19 115.11 117.70 3kz4 h GLN 530 Ca -0.07 -0.05 0.12 0.00 0.09 0.00 0.00 58.65 58.74 3kz4 h GLN 530 Cb 0.50 -0.19 -0.08 0.00 0.08 0.00 0.00 27.48 27.79 3kz4 h GLN 530 CO 0.11 0.55 0.57 0.00 0.09 0.00 0.00 178.83 180.15 3kz4 h ARG 531 N 0.85 0.87 -0.19 0.06 2.47 -1.49 -0.15 114.38 116.81 3kz4 h ARG 531 Ca 0.23 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 3kz4 h ARG 531 Cb -0.09 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.03 3kz4 h ARG 531 CO -0.05 0.58 -0.01 0.78 0.56 0.00 0.00 179.97 181.83 3kz4 h GLY 532 N 0.90 0.36 0.00 0.04 0.00 -1.09 -2.89 103.07 100.40 3kz4 h GLY 532 Ca 0.47 -0.27 0.15 0.00 0.00 0.00 0.00 47.33 47.67 3kz4 h GLY 532 CO -0.27 0.25 0.18 -2.22 0.00 0.00 0.00 176.54 174.47 3kz4 h ILE 533 N 0.08 0.55 -0.58 2.60 2.04 -0.49 0.17 117.51 121.89 3kz4 h ILE 533 Ca 0.05 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3kz4 h ILE 533 Cb 0.40 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3kz4 h ILE 533 CO 0.01 0.05 0.38 0.25 0.00 0.00 0.00 178.15 178.85 3kz4 h LEU 534 N 0.28 0.59 -1.74 1.44 5.85 -0.88 0.12 115.31 120.96 3kz4 h LEU 534 Ca 0.39 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3kz4 h LEU 534 Cb 0.64 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kz4 h LEU 534 CO -0.48 0.41 0.00 -0.07 -0.34 0.00 0.00 178.44 177.96 3kz4 h LEU 535 N 0.68 0.00 0.18 2.25 3.38 -0.86 0.15 115.31 121.09 3kz4 h LEU 535 Ca 0.23 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.88 3kz4 h LEU 535 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kz4 h LEU 535 CO -0.06 0.00 -1.58 -0.07 0.09 0.00 0.00 178.44 176.81 3kz4 h LEU 536 N 0.00 0.59 0.55 1.67 -0.00 -0.75 -3.28 115.31 114.09 3kz4 h LEU 536 Ca 0.00 -0.92 -0.02 0.00 -0.00 0.00 0.00 57.88 56.94 3kz4 h LEU 536 Cb 0.08 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 3kz4 h LEU 536 CO 0.00 1.72 -0.33 0.28 -0.00 0.00 0.00 178.44 180.11 3kz4 h SER 537 N -0.01 -0.82 -0.37 -0.43 0.02 -0.40 0.32 113.55 111.85 3kz4 h SER 537 Ca -0.31 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3kz4 h SER 537 Cb 2.00 0.24 -0.09 0.00 0.14 0.00 0.00 62.40 64.69 3kz4 h SER 537 CO 0.16 -0.51 -0.30 0.78 -1.14 0.00 0.00 176.83 175.82 3kz4 h ASN 538 N -0.82 -1.00 -0.03 3.07 2.35 -1.41 0.38 115.58 118.13 3kz4 h ASN 538 Ca -0.07 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3kz4 h ASN 538 Cb 0.65 0.47 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 3kz4 h ASN 538 CO 0.08 -0.31 0.04 0.03 -1.65 0.00 0.00 177.43 175.62 3kz4 h ARG 539 N -0.25 0.00 -1.00 0.81 2.47 -1.60 -2.99 114.38 111.82 3kz4 h ARG 539 Ca 0.17 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 59.24 3kz4 h ARG 539 Cb 0.52 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.68 3kz4 h ARG 539 CO -0.51 0.00 0.53 1.25 0.56 0.00 0.00 179.97 181.81 3kz4 h LEU 540 N 0.00 0.40 -0.86 3.04 6.46 0.38 2.12 115.31 126.85 3kz4 h LEU 540 Ca 0.01 0.22 0.16 0.00 -0.12 0.00 0.00 57.88 58.15 3kz4 h LEU 540 Cb 0.10 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.13 3kz4 h LEU 540 CO -0.00 -0.26 0.44 1.23 -0.62 0.00 0.00 178.44 179.23 3kz4 h GLY 541 N 0.18 1.41 0.58 3.75 0.00 -1.65 -1.16 103.07 106.20 3kz4 h GLY 541 Ca 0.77 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 47.64 3kz4 h GLY 541 CO -0.68 -0.06 -1.00 1.46 0.00 0.00 0.00 176.54 176.25 3kz4 h GLN 542 N 0.60 0.26 -1.27 4.80 7.50 0.29 -3.28 115.11 124.01 3kz4 h GLN 542 Ca 0.48 -0.44 0.38 0.00 0.50 0.00 0.00 58.65 59.57 3kz4 h GLN 542 Cb 0.71 0.16 -0.09 0.00 0.05 0.00 0.00 27.48 28.31 3kz4 h GLN 542 CO -0.38 1.21 0.85 -0.07 -1.50 0.00 0.00 178.83 178.94 3kz4 h LEU 543 N -0.40 0.23 -0.01 1.46 3.38 0.59 0.96 115.31 121.52 3kz4 h LEU 543 Ca -0.20 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kz4 h LEU 543 Cb 1.64 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 3kz4 h LEU 543 CO 0.10 -0.04 -0.03 0.58 0.09 0.00 0.00 178.44 179.14 3kz4 h VAL 544 N 0.15 0.00 -0.54 1.22 2.07 -1.28 -0.84 116.25 117.04 3kz4 h VAL 544 Ca 0.70 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.40 3kz4 h VAL 544 Cb 2.29 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 3kz4 h VAL 544 CO -0.25 0.00 0.13 0.47 0.02 0.00 0.00 177.57 177.94 3kz4 n ASP 545 N -2.70 0.04 0.08 0.57 8.00 0.33 0.28 116.55 123.15 3kz4 n ASP 545 Ca -0.00 0.91 -0.12 0.00 0.71 0.00 0.00 54.79 56.28 3kz4 n ASP 545 Cb 0.02 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 3kz4 n ASP 545 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kz4 h LEU 546 N 0.00 -0.91 -0.37 0.64 3.38 -0.98 0.33 115.31 117.41 3kz4 h LEU 546 Ca 0.38 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.54 3kz4 h LEU 546 Cb 0.90 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 3kz4 h LEU 546 CO -0.47 -0.38 -0.29 0.74 0.09 0.00 0.00 178.44 178.13 3kz4 h THR 547 N -0.48 0.28 -0.26 0.22 2.02 -0.08 -0.93 112.91 113.68 3kz4 h THR 547 Ca 0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.29 3kz4 h THR 547 Cb 0.55 0.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 3kz4 h THR 547 CO -0.23 0.00 -0.42 0.03 0.37 0.00 0.00 175.52 175.26 3kz4 h ARG 548 N -0.24 -0.39 0.00 6.66 3.08 -1.31 0.12 114.38 122.29 3kz4 h ARG 548 Ca 0.17 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kz4 h ARG 548 Cb 0.51 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3kz4 h ARG 548 CO -0.50 -0.26 0.00 -0.11 -1.07 0.00 0.00 179.97 178.02 3kz4 n LEU 549 N -5.42 0.00 -0.26 3.04 7.94 0.05 -0.90 117.00 121.45 3kz4 n LEU 549 Ca -0.02 0.65 -0.10 0.00 -1.11 0.00 0.00 56.01 55.43 3kz4 n LEU 549 Cb 0.36 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 3kz4 n LEU 549 CO 0.08 -0.15 0.53 -0.07 -1.11 0.00 0.00 177.39 176.67 3kz4 h LEU 550 N 0.00 -1.75 -0.41 -1.96 3.38 -1.25 -0.14 115.31 113.18 3kz4 h LEU 550 Ca 0.00 0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3kz4 h LEU 550 Cb 0.00 0.78 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3kz4 h LEU 550 CO 0.00 -0.32 -0.24 0.00 0.09 0.00 0.00 178.44 177.96 3kz4 n ALA 551 N -3.19 -0.26 -0.73 1.53 0.00 0.39 -0.91 120.51 117.34 3kz4 n ALA 551 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kz4 n ALA 551 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3kz4 n ALA 551 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kz4 n TYR 552 N -4.12 0.00 -0.01 0.00 9.36 -0.07 -1.66 117.16 120.66 3kz4 n TYR 552 Ca 0.01 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kz4 n TYR 552 Cb 0.11 -0.14 -0.00 0.00 -0.63 0.00 0.00 39.34 38.68 3kz4 n TYR 552 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3kz4 n ASN 553 N -0.97 -0.03 0.02 2.98 3.02 -0.61 0.83 115.26 120.51 3kz4 n ASN 553 Ca 0.00 0.47 -0.16 0.00 -0.03 0.00 0.00 54.58 54.86 3kz4 n ASN 553 Cb 0.00 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 3kz4 n ASN 553 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3kz4 h TYR 554 N 0.00 -1.61 -0.03 3.10 3.20 -1.13 0.29 116.97 120.79 3kz4 h TYR 554 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kz4 h TYR 554 Cb 0.01 0.71 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 3kz4 h TYR 554 CO -0.42 -0.56 0.56 0.93 -1.64 0.00 0.00 178.16 177.02 3kz4 h GLU 555 N -0.63 0.00 0.00 1.82 5.08 0.12 -1.34 114.58 119.62 3kz4 h GLU 555 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kz4 h GLU 555 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3kz4 h GLU 555 CO -0.40 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.02 3kz4 n THR 556 N -2.81 0.00 -0.05 1.13 -1.04 0.24 -4.41 114.28 107.35 3kz4 n THR 556 Ca -0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3kz4 n THR 556 Cb 0.60 -0.52 -0.01 0.00 -1.82 0.00 0.00 70.33 68.58 3kz4 n THR 556 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kz4 n LEU 557 N -0.78 -0.13 -0.08 -4.42 4.77 0.03 -0.01 117.00 116.36 3kz4 n LEU 557 Ca 0.00 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 3kz4 n LEU 557 Cb 0.00 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3kz4 n LEU 557 CO 0.00 -0.21 0.13 0.80 -1.33 0.00 0.00 177.39 176.78 3kz4 n MET 558 N -3.49 -0.09 -0.13 3.23 1.56 -0.52 -1.49 117.12 116.20 3kz4 n MET 558 Ca 0.00 0.37 -0.03 0.00 -0.27 0.00 0.00 57.70 57.77 3kz4 n MET 558 Cb 0.03 -0.54 -0.03 0.00 2.15 0.00 0.00 33.22 34.83 3kz4 n MET 558 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3kz4 n ALA 559 N -3.41 -0.19 -0.47 -5.12 0.00 0.98 -1.66 120.51 110.65 3kz4 n ALA 559 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 3kz4 n ALA 559 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 3kz4 n ALA 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 s VAL 561 N 1.29 1.44 -0.14 0.00 1.01 -0.66 -4.25 120.40 119.08 3kz4 s VAL 561 Ca 0.22 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 3kz4 s VAL 561 Cb 0.10 -1.55 -0.26 0.00 0.00 0.00 0.00 36.38 34.67 3kz4 s VAL 561 CO 0.00 0.15 0.69 0.74 0.00 0.00 0.00 175.10 176.68 3kz4 h THR 562 N 6.39 1.58 -0.81 3.92 2.02 -1.90 -3.44 112.91 120.67 3kz4 h THR 562 Ca -0.26 -2.35 -0.57 0.00 0.77 0.00 0.00 66.41 63.99 3kz4 h THR 562 Cb 1.10 3.15 -0.03 0.00 -1.74 0.00 0.00 68.15 70.63 3kz4 h THR 562 CO 0.45 0.58 1.57 0.23 0.37 0.00 0.00 175.52 178.72 3kz4 n MET 563 N -4.48 0.66 -0.74 6.66 2.81 -1.26 -4.88 117.12 115.88 3kz4 n MET 563 Ca -0.15 0.10 -0.34 0.00 -1.81 0.00 0.00 57.70 55.51 3kz4 n MET 563 Cb 0.58 -2.35 0.14 0.00 -0.71 0.00 0.00 33.22 30.88 3kz4 n MET 563 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kz4 n ASN 564 N 11.44 -2.52 -3.30 7.83 3.02 -1.26 -5.00 115.26 125.47 3kz4 n ASN 564 Ca 0.49 -0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.84 3kz4 n ASN 564 Cb 0.23 -0.87 -0.05 0.00 -0.61 0.00 0.00 39.78 38.47 3kz4 n ASN 564 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 s MET 565 N -3.16 0.72 0.49 3.52 0.23 -1.10 -5.02 119.30 114.98 3kz4 s MET 565 Ca 0.52 -0.71 -0.19 0.00 -1.03 0.00 0.00 55.69 54.29 3kz4 s MET 565 Cb -0.08 -0.45 -0.08 0.00 -1.53 0.00 0.00 34.83 32.69 3kz4 s MET 565 CO 0.66 -1.20 0.99 -0.65 -2.03 0.00 0.00 175.02 172.79 3kz4 s GLN 566 N 1.51 3.92 -0.16 3.16 -0.21 -1.26 -4.60 119.66 122.02 3kz4 s GLN 566 Ca 0.17 1.12 -0.28 0.00 0.02 0.00 0.00 55.36 56.39 3kz4 s GLN 566 Cb -0.11 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 3kz4 s GLN 566 CO -0.04 -0.30 0.95 -1.58 -2.12 0.00 0.00 175.29 172.19 3kz4 s HIS 567 N -2.34 3.44 0.13 0.91 5.65 -1.26 -5.01 115.29 116.82 3kz4 s HIS 567 Ca 0.62 1.44 0.04 0.00 0.25 0.00 0.00 55.06 57.41 3kz4 s HIS 567 Cb -0.12 -3.14 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 3kz4 s HIS 567 CO 0.24 -0.28 -0.10 0.08 -0.65 0.00 0.00 174.74 174.02 3kz4 s VAL 568 N 2.31 1.13 -0.83 0.89 1.01 -1.26 -5.09 120.40 118.56 3kz4 s VAL 568 Ca 0.43 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 3kz4 s VAL 568 Cb -0.17 -1.74 0.12 0.00 0.00 0.00 0.00 36.38 34.60 3kz4 s VAL 568 CO 0.13 -0.70 1.01 -1.10 0.00 0.00 0.00 175.10 174.45 3kz4 s GLN 569 N -3.52 3.44 1.13 2.72 -1.52 -1.26 -4.80 119.66 115.85 3kz4 s GLN 569 Ca 0.14 -1.60 -0.18 0.00 -1.95 0.00 0.00 55.36 51.77 3kz4 s GLN 569 Cb 0.01 -4.67 0.13 0.00 -0.22 0.00 0.00 33.01 28.26 3kz4 s GLN 569 CO 0.00 -1.71 0.10 2.41 -0.25 0.00 0.00 175.29 175.84 3kz4 n THR 570 N 5.44 0.00 0.37 -0.19 -1.04 -1.26 -4.92 114.28 112.69 3kz4 n THR 570 Ca 0.14 -0.32 0.11 0.00 -2.04 0.00 0.00 64.05 61.94 3kz4 n THR 570 Cb 0.47 -0.64 -0.13 0.00 -1.82 0.00 0.00 70.33 68.21 3kz4 n THR 570 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kz4 n LEU 571 N -2.00 0.40 -4.45 -4.42 4.77 -1.26 -4.92 117.00 105.11 3kz4 n LEU 571 Ca 0.01 -0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.53 3kz4 n LEU 571 Cb 0.62 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 3kz4 n LEU 571 CO 0.53 0.08 -0.49 0.42 -1.33 0.00 0.00 177.39 176.60 3kz4 s THR 572 N -3.32 2.80 0.00 -5.08 -4.23 -1.26 -5.13 115.64 99.42 3kz4 s THR 572 Ca -0.02 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3kz4 s THR 572 Cb 0.15 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3kz4 s THR 572 CO 0.88 0.41 0.00 0.41 -0.54 0.00 0.00 174.62 175.79 3kz4 n THR 573 N 1.79 0.00 0.00 3.99 -1.04 -1.26 -4.50 114.28 113.26 3kz4 n THR 573 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3kz4 n THR 573 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3kz4 n THR 573 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kz4 n GLU 574 N 0.00 0.00 -1.70 -2.82 -0.58 -1.26 -4.78 120.64 109.50 3kz4 n GLU 574 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3kz4 n GLU 574 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3kz4 n GLU 574 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kz4 n LYS 575 N 0.00 2.22 -3.63 3.49 5.02 -1.26 -3.72 118.16 120.27 3kz4 n LYS 575 Ca 0.00 0.78 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 3kz4 n LYS 575 Cb 0.00 -2.42 -0.14 0.00 -0.02 0.00 0.00 35.03 32.45 3kz4 n LYS 575 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kz4 s LEU 576 N -0.73 1.60 -0.24 -0.35 2.96 -1.18 -4.94 118.68 115.80 3kz4 s LEU 576 Ca 0.60 -1.72 -0.29 0.00 -0.22 0.00 0.00 54.13 52.50 3kz4 s LEU 576 Cb -0.57 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3kz4 s LEU 576 CO 0.57 -0.39 1.73 -1.10 -1.32 0.00 0.00 176.35 175.84 3kz4 s GLN 577 N 1.55 3.63 0.34 1.98 -0.21 -1.26 -3.64 119.66 122.05 3kz4 s GLN 577 Ca 0.12 1.67 0.11 0.00 0.02 0.00 0.00 55.36 57.28 3kz4 s GLN 577 Cb -0.18 -4.11 0.58 0.00 1.00 0.00 0.00 33.01 30.29 3kz4 s GLN 577 CO -0.22 -1.50 1.20 -0.07 -2.12 0.00 0.00 175.29 172.58 3kz4 h LEU 578 N 12.45 0.00 0.00 2.90 3.38 -1.91 -0.74 115.31 131.40 3kz4 h LEU 578 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3kz4 h LEU 578 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3kz4 h LEU 578 CO 1.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.94 3kz4 n THR 579 N -2.01 0.00 -0.24 0.22 -1.04 -1.26 -1.30 114.28 108.65 3kz4 n THR 579 Ca -0.01 1.15 -0.03 0.00 -2.04 0.00 0.00 64.05 63.13 3kz4 n THR 579 Cb 0.42 -1.92 0.03 0.00 -1.82 0.00 0.00 70.33 67.04 3kz4 n THR 579 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3kz4 h SER 580 N 0.00 -1.04 0.00 8.00 4.64 -1.40 -2.04 113.55 121.71 3kz4 h SER 580 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3kz4 h SER 580 Cb 0.00 0.56 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3kz4 h SER 580 CO 0.00 -0.29 0.00 0.52 -0.87 0.00 0.00 176.83 176.19 3kz4 n VAL 581 N -5.46 0.00 -0.33 0.95 0.31 -1.15 0.38 118.33 113.04 3kz4 n VAL 581 Ca 0.06 1.24 0.27 0.00 -0.01 0.00 0.00 64.34 65.91 3kz4 n VAL 581 Cb 0.37 -1.69 0.51 0.00 -0.91 0.00 0.00 33.84 32.12 3kz4 n VAL 581 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kz4 h THR 582 N 0.00 0.00 0.41 2.52 2.02 -0.49 -0.97 112.91 116.40 3kz4 h THR 582 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3kz4 h THR 582 Cb 0.00 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3kz4 h THR 582 CO 0.00 0.00 -0.20 0.77 0.37 0.00 0.00 175.52 176.46 3kz4 h SER 583 N 0.00 -0.46 -0.78 4.18 4.64 0.34 -2.99 113.55 118.49 3kz4 h SER 583 Ca 0.78 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 62.22 3kz4 h SER 583 Cb 1.97 0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 64.07 3kz4 h SER 583 CO -0.81 -0.32 -0.36 -0.11 -0.87 0.00 0.00 176.83 174.36 3kz4 n LEU 584 N -3.56 -0.61 0.00 5.97 0.00 -0.44 -0.61 117.00 117.74 3kz4 n LEU 584 Ca -0.07 1.37 0.00 0.00 0.00 0.00 0.00 56.01 57.31 3kz4 n LEU 584 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.37 3kz4 n LEU 584 CO 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 177.39 176.36 3kz4 n MET 586 N 0.00 0.02 -0.51 0.00 0.00 -1.17 -3.16 117.12 112.30 3kz4 n MET 586 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 57.70 58.07 3kz4 n MET 586 Cb 0.00 -1.50 0.32 0.00 0.00 0.00 0.00 33.22 32.04 3kz4 n MET 586 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3kz4 n LEU 587 N -1.29 4.18 -4.42 3.17 7.94 0.21 -4.95 117.00 121.84 3kz4 n LEU 587 Ca 0.01 -2.11 -0.33 0.00 -1.11 0.00 0.00 56.01 52.47 3kz4 n LEU 587 Cb 0.01 -0.53 -0.14 0.00 0.53 0.00 0.00 43.42 43.30 3kz4 n LEU 587 CO 0.01 0.77 -0.42 -0.63 -1.11 0.00 0.00 177.39 176.01 3kz4 s ILE 588 N -1.67 3.26 0.00 1.96 -1.09 -1.13 -3.55 121.20 118.99 3kz4 s ILE 588 Ca 0.46 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3kz4 s ILE 588 Cb 0.28 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 3kz4 s ILE 588 CO 0.24 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.09 3kz4 n GLY 589 N 3.29 3.33 1.41 6.18 0.00 -1.26 -4.87 105.19 113.27 3kz4 n GLY 589 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3kz4 n GLY 589 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kz4 n ASN 590 N 0.00 1.43 -4.83 1.61 2.04 -1.26 -4.81 115.26 109.44 3kz4 n ASN 590 Ca 0.00 -1.08 -0.32 0.00 -0.44 0.00 0.00 54.58 52.74 3kz4 n ASN 590 Cb 0.00 -0.28 0.02 0.00 -2.53 0.00 0.00 39.78 36.99 3kz4 n ASN 590 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kz4 s ALA 591 N 0.98 2.83 -0.29 -2.53 0.00 -1.26 -5.05 121.76 116.44 3kz4 s ALA 591 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3kz4 s ALA 591 Cb 0.00 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.15 3kz4 s ALA 591 CO 0.00 -0.86 0.67 0.99 0.00 0.00 0.00 175.76 176.57 3kz4 s THR 592 N -2.84 -0.87 0.24 0.00 2.01 -1.26 -4.99 115.64 107.93 3kz4 s THR 592 Ca 0.59 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.68 3kz4 s THR 592 Cb -0.13 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3kz4 s THR 592 CO 0.46 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.56 3kz4 s VAL 593 N 2.86 1.93 0.28 3.82 1.01 -1.26 -4.71 120.40 124.33 3kz4 s VAL 593 Ca 0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 61.98 59.83 3kz4 s VAL 593 Cb -0.10 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3kz4 s VAL 593 CO -0.24 -0.49 0.43 2.30 0.00 0.00 0.00 175.10 177.10 3kz4 n ILE 594 N -0.49 0.00 -2.50 2.22 -6.64 -1.26 -5.01 119.36 105.68 3kz4 n ILE 594 Ca -0.07 -1.26 -0.43 0.00 -1.77 0.00 0.00 62.75 59.23 3kz4 n ILE 594 Cb 0.61 0.83 -0.02 0.00 -1.44 0.00 0.00 39.64 39.62 3kz4 n ILE 594 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 3kz4 s PRO 595 N -2.51 4.16 0.34 6.28 0.02 -1.26 -4.78 135.00 137.26 3kz4 s PRO 595 Ca 0.20 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.40 3kz4 s PRO 595 Cb -0.01 -3.76 -0.12 0.00 0.02 0.00 0.00 34.50 30.63 3kz4 s PRO 595 CO 0.15 -0.78 1.45 0.43 -0.33 0.00 0.00 177.00 177.92 3kz4 n SER 596 N 6.76 3.48 0.00 2.53 7.64 -1.26 -4.77 113.62 128.00 3kz4 n SER 596 Ca 0.13 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3kz4 n SER 596 Cb 0.46 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3kz4 n SER 596 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kz4 n PRO 597 N 0.92 0.00 -0.22 1.43 -0.02 -1.26 -0.27 135.00 135.58 3kz4 n PRO 597 Ca 0.04 0.64 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 3kz4 n PRO 597 Cb 0.37 -1.19 0.36 0.00 -0.02 0.00 0.00 33.50 33.02 3kz4 n PRO 597 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kz4 n GLN 598 N -1.70 -0.04 0.30 -0.52 6.02 -1.26 0.14 117.38 120.32 3kz4 n GLN 598 Ca 0.00 0.93 -0.16 0.00 -0.01 0.00 0.00 57.00 57.76 3kz4 n GLN 598 Cb 0.00 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 29.55 3kz4 n GLN 598 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3kz4 h THR 599 N 0.00 0.00 -0.80 5.09 2.02 -0.97 -2.69 112.91 115.55 3kz4 h THR 599 Ca 0.53 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.81 3kz4 h THR 599 Cb 1.37 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.67 3kz4 h THR 599 CO -0.53 0.00 -0.53 -0.07 0.37 0.00 0.00 175.52 174.76 3kz4 h LEU 600 N -0.92 -1.88 -0.16 2.58 3.38 0.21 -2.03 115.31 116.49 3kz4 h LEU 600 Ca -0.07 0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3kz4 h LEU 600 Cb 0.76 0.84 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 3kz4 h LEU 600 CO 0.02 -0.29 -0.32 -0.26 0.09 0.00 0.00 178.44 177.68 3kz4 h PHE 601 N -0.12 -0.96 -0.73 1.13 -1.00 -1.49 0.16 116.94 113.92 3kz4 h PHE 601 Ca 0.17 0.04 0.25 0.00 2.81 0.00 0.00 57.97 61.25 3kz4 h PHE 601 Cb 0.50 0.44 -0.13 0.00 3.61 0.00 0.00 35.95 40.37 3kz4 h PHE 601 CO -0.89 -0.30 0.20 1.58 -1.61 0.00 0.00 178.31 177.29 3kz4 n HIS 602 N -4.22 0.65 0.24 -0.55 -0.00 -0.80 0.11 115.22 110.65 3kz4 n HIS 602 Ca -0.03 0.87 -0.15 0.00 0.46 0.00 0.00 57.72 58.87 3kz4 n HIS 602 Cb 0.21 -1.16 -0.08 0.00 -0.12 0.00 0.00 29.99 28.83 3kz4 n HIS 602 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 3kz4 h TYR 603 N 0.00 -0.53 0.00 1.57 3.20 -0.33 -1.96 116.97 118.92 3kz4 h TYR 603 Ca 0.53 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.38 3kz4 h TYR 603 Cb 1.26 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.71 3kz4 h TYR 603 CO -0.20 -0.28 0.00 0.98 -1.64 0.00 0.00 178.16 177.03 3kz4 n TYR 604 N -5.30 0.00 -0.18 -3.82 9.36 0.30 -2.41 117.16 115.11 3kz4 n TYR 604 Ca -0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.08 3kz4 n TYR 604 Cb 0.27 -0.49 -0.02 0.00 -0.63 0.00 0.00 39.34 38.46 3kz4 n TYR 604 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3kz4 n ASN 605 N -2.51 -0.41 0.00 2.98 3.02 0.07 -1.17 115.26 117.24 3kz4 n ASN 605 Ca 0.00 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 3kz4 n ASN 605 Cb 0.00 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3kz4 n ASN 605 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kz4 n VAL 606 N -4.60 0.00 -0.30 2.41 0.24 -0.74 -1.32 118.33 114.02 3kz4 n VAL 606 Ca 0.02 1.41 0.14 0.00 -2.04 0.00 0.00 64.34 63.87 3kz4 n VAL 606 Cb 0.14 -2.31 0.27 0.00 -1.47 0.00 0.00 33.84 30.47 3kz4 n VAL 606 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kz4 n ASN 607 N -1.90 -0.07 0.00 -1.34 3.02 -0.52 -0.73 115.26 113.72 3kz4 n ASN 607 Ca 0.00 1.46 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 3kz4 n ASN 607 Cb 0.00 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 3kz4 n ASN 607 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kz4 n VAL 608 N -5.23 0.00 0.00 2.41 0.31 -0.32 -0.34 118.33 115.16 3kz4 n VAL 608 Ca 0.21 1.12 0.00 0.00 -0.01 0.00 0.00 64.34 65.66 3kz4 n VAL 608 Cb 0.70 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 3kz4 n VAL 608 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kz4 n ASN 609 N -1.31 0.00 -0.26 4.52 3.02 0.09 -0.58 115.26 120.74 3kz4 n ASN 609 Ca 0.00 0.73 -0.06 0.00 -0.03 0.00 0.00 54.58 55.22 3kz4 n ASN 609 Cb 0.00 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 3kz4 n ASN 609 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3kz4 n PHE 610 N -2.62 -0.23 0.00 3.10 7.35 -0.81 0.18 117.46 124.44 3kz4 n PHE 610 Ca 0.00 0.77 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 3kz4 n PHE 610 Cb 0.00 -0.58 0.00 0.00 0.35 0.00 0.00 39.48 39.25 3kz4 n PHE 610 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 3kz4 n HIS 611 N -4.79 0.00 -0.30 -5.13 -0.00 0.54 -0.21 115.22 105.33 3kz4 n HIS 611 Ca 0.02 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.34 3kz4 n HIS 611 Cb 0.17 -0.49 0.27 0.00 -0.12 0.00 0.00 29.99 29.82 3kz4 n HIS 611 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3kz4 n SER 612 N -2.60 -0.08 0.18 0.26 2.88 0.13 0.77 113.62 115.15 3kz4 n SER 612 Ca 0.00 1.47 -0.14 0.00 -1.33 0.00 0.00 58.87 58.86 3kz4 n SER 612 Cb 0.00 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.83 3kz4 n SER 612 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3kz4 h ASN 613 N 0.00 -0.36 0.01 -3.46 -1.24 0.69 0.34 115.58 111.57 3kz4 h ASN 613 Ca 0.54 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.46 3kz4 h ASN 613 Cb 1.13 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 3kz4 h ASN 613 CO -0.80 -0.12 -0.20 0.22 -1.29 0.00 0.00 177.43 175.24 3kz4 h TYR 614 N -0.59 -0.57 -0.63 0.67 3.20 0.37 0.28 116.97 119.70 3kz4 h TYR 614 Ca -0.04 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3kz4 h TYR 614 Cb 0.43 0.25 -0.11 0.00 1.54 0.00 0.00 36.73 38.84 3kz4 h TYR 614 CO -0.01 -0.21 -0.46 -0.91 -1.64 0.00 0.00 178.16 174.93 3kz4 h ASN 615 N -0.25 -1.59 0.35 -2.11 2.35 -0.67 -0.42 115.58 113.23 3kz4 h ASN 615 Ca 0.00 0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3kz4 h ASN 615 Cb 0.27 0.72 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 3kz4 h ASN 615 CO -0.13 -0.33 -0.41 -0.08 -1.65 0.00 0.00 177.43 174.83 3kz4 h GLU 616 N -0.21 -0.74 -1.01 0.81 4.57 0.13 -1.73 114.58 116.40 3kz4 h GLU 616 Ca 0.18 0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.64 3kz4 h GLU 616 Cb 0.56 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.20 3kz4 h GLU 616 CO -0.72 -0.50 0.61 0.00 -1.18 0.00 0.00 179.01 177.22 3kz4 h ARG 617 N -0.77 0.61 -0.27 1.92 2.47 -0.16 0.27 114.38 118.45 3kz4 h ARG 617 Ca -0.04 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.69 3kz4 h ARG 617 Cb 0.68 -0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 28.79 3kz4 h ARG 617 CO -0.08 0.41 -0.47 0.82 0.56 0.00 0.00 179.97 181.21 3kz4 h ILE 618 N 0.63 0.08 -0.02 2.04 1.08 -0.24 2.02 117.51 123.10 3kz4 h ILE 618 Ca 0.62 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 65.11 3kz4 h ILE 618 Cb 1.13 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3kz4 h ILE 618 CO -0.43 0.00 -0.12 0.78 -0.69 0.00 0.00 178.15 177.69 3kz4 h ASN 619 N -0.44 -0.35 -0.68 1.72 2.35 0.19 0.34 115.58 118.71 3kz4 h ASN 619 Ca 0.09 0.06 0.14 0.00 -0.55 0.00 0.00 56.30 56.03 3kz4 h ASN 619 Cb 0.62 0.15 -0.10 0.00 0.05 0.00 0.00 38.32 39.04 3kz4 h ASN 619 CO -0.50 -0.17 0.16 0.44 -1.65 0.00 0.00 177.43 175.72 3kz4 h ASP 620 N -0.19 0.01 0.00 5.81 3.32 0.53 -0.83 116.42 125.06 3kz4 h ASP 620 Ca 0.05 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kz4 h ASP 620 Cb 0.26 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3kz4 h ASP 620 CO -0.13 -0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3kz4 n ALA 621 N -2.64 -0.45 -0.10 3.45 0.00 0.67 -2.90 120.51 118.55 3kz4 n ALA 621 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3kz4 n ALA 621 Cb 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 3kz4 n ALA 621 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kz4 n VAL 622 N -1.89 -0.16 -0.25 0.00 0.31 0.11 -0.84 118.33 115.61 3kz4 n VAL 622 Ca 0.00 1.51 -0.01 0.00 -0.01 0.00 0.00 64.34 65.84 3kz4 n VAL 622 Cb 0.00 -1.96 0.03 0.00 -0.91 0.00 0.00 33.84 31.00 3kz4 n VAL 622 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 n ALA 623 N -3.00 -0.08 0.01 3.52 0.00 -0.34 -0.77 120.51 119.85 3kz4 n ALA 623 Ca 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 53.44 54.09 3kz4 n ALA 623 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 3kz4 n ALA 623 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kz4 h ILE 624 N 0.00 0.00 -0.95 0.00 2.04 -0.86 -2.29 117.51 115.45 3kz4 h ILE 624 Ca 0.23 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.28 3kz4 h ILE 624 Cb 0.39 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.29 3kz4 h ILE 624 CO -0.65 0.00 -0.21 0.40 0.00 0.00 0.00 178.15 177.69 3kz4 h ILE 625 N -0.03 0.05 -0.28 -0.67 2.04 -0.53 0.41 117.51 118.51 3kz4 h ILE 625 Ca -0.00 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3kz4 h ILE 625 Cb 0.02 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 3kz4 h ILE 625 CO 0.00 0.00 0.11 0.74 0.00 0.00 0.00 178.15 179.00 3kz4 h THR 626 N 0.00 0.95 -0.28 -0.27 2.02 -1.27 -1.28 112.91 112.79 3kz4 h THR 626 Ca 0.47 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.60 3kz4 h THR 626 Cb 0.74 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3kz4 h THR 626 CO -0.97 0.05 0.03 0.00 0.37 0.00 0.00 175.52 175.00 3kz4 h ALA 627 N 1.17 0.27 -1.31 6.16 0.00 0.22 -0.69 119.26 125.08 3kz4 h ALA 627 Ca 0.12 0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.48 3kz4 h ALA 627 Cb 0.07 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3kz4 h ALA 627 CO -0.11 -0.39 0.90 0.00 0.00 0.00 0.00 179.25 179.65 3kz4 h ALA 628 N 1.22 2.94 0.00 0.00 0.00 0.64 -1.65 119.26 122.41 3kz4 h ALA 628 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kz4 h ALA 628 Cb 0.15 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kz4 h ALA 628 CO -0.19 -1.40 -0.16 -0.91 0.00 0.00 0.00 179.25 176.59 3kz4 h ASN 629 N 0.11 0.00 -1.36 0.00 2.35 -0.33 -2.98 115.58 113.37 3kz4 h ASN 629 Ca 0.69 -0.67 -0.72 0.00 -0.55 0.00 0.00 56.30 55.05 3kz4 h ASN 629 Cb 2.40 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 40.64 3kz4 h ASN 629 CO -0.17 0.93 1.95 -1.14 -1.65 0.00 0.00 177.43 177.35 3kz4 n ARG 630 N -4.63 3.29 0.00 0.81 3.00 -0.62 -0.81 116.66 117.70 3kz4 n ARG 630 Ca -0.10 -3.47 0.00 0.00 -0.00 0.00 0.00 57.85 54.28 3kz4 n ARG 630 Cb 0.38 -3.20 0.00 0.00 0.00 0.00 0.00 32.46 29.64 3kz4 n ARG 630 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3kz4 n LEU 631 N 6.28 0.00 -1.16 6.15 4.77 -1.22 -4.89 117.00 126.94 3kz4 n LEU 631 Ca 0.43 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 3kz4 n LEU 631 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3kz4 n LEU 631 CO 0.74 0.03 -0.10 0.59 -1.33 0.00 0.00 177.39 177.31 3kz4 n ASN 632 N 0.00 -3.35 -2.37 -1.43 3.02 0.01 -4.75 115.26 106.38 3kz4 n ASN 632 Ca 0.00 0.27 -0.05 0.00 -0.03 0.00 0.00 54.58 54.76 3kz4 n ASN 632 Cb 0.03 -3.00 -0.06 0.00 -0.61 0.00 0.00 39.78 36.14 3kz4 n ASN 632 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kz4 n LEU 633 N -1.56 2.06 -4.43 3.41 0.00 -1.12 -4.78 117.00 110.57 3kz4 n LEU 633 Ca -0.11 -1.56 -0.12 0.00 0.00 0.00 0.00 56.01 54.23 3kz4 n LEU 633 Cb 0.40 -0.56 -0.10 0.00 0.00 0.00 0.00 43.42 43.16 3kz4 n LEU 633 CO 0.16 0.30 1.24 0.00 0.00 0.00 0.00 177.39 179.09 3kz4 n TYR 634 N 2.92 0.63 0.00 1.96 0.18 -1.26 -4.25 117.16 117.34 3kz4 n TYR 634 Ca 0.17 -0.07 0.00 0.00 1.88 0.00 0.00 57.90 59.89 3kz4 n TYR 634 Cb 0.33 -1.83 0.00 0.00 -0.38 0.00 0.00 39.34 37.46 3kz4 n TYR 634 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3kz4 n GLN 635 N 7.10 0.00 -0.99 -3.48 6.02 -1.26 -5.10 117.38 119.66 3kz4 n GLN 635 Ca 0.37 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 3kz4 n GLN 635 Cb 0.42 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.87 3kz4 n GLN 635 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kz4 s LYS 636 N 1.23 0.22 0.00 -1.09 1.02 -1.26 -4.32 119.74 115.54 3kz4 s LYS 636 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.68 3kz4 s LYS 636 Cb 0.00 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 3kz4 s LYS 636 CO 0.00 -2.92 0.00 1.17 -0.92 0.00 0.00 175.35 172.68 3kz4 n LYS 637 N -4.33 0.00 0.00 1.68 4.81 -1.26 -5.02 118.16 114.03 3kz4 n LYS 637 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3kz4 n LYS 637 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 3kz4 n LYS 637 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3kz4 n MET 638 N 0.00 2.37 0.00 1.64 0.00 -1.26 -4.77 117.12 115.10 3kz4 n MET 638 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3kz4 n MET 638 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3kz4 n MET 638 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kz4 n LYS 639 N 0.00 0.00 0.00 0.03 5.02 -1.26 -3.64 118.16 118.31 3kz4 n LYS 639 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3kz4 n LYS 639 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3kz4 n LYS 639 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kz4 n ALA 640 N -1.90 0.00 -0.01 7.82 0.00 -1.26 0.24 120.51 125.39 3kz4 n ALA 640 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3kz4 n ALA 640 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3kz4 n ALA 640 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3kz4 h ILE 641 N 0.00 1.08 -0.41 0.00 3.07 -1.86 -3.03 117.51 116.36 3kz4 h ILE 641 Ca 0.00 -0.23 0.08 0.00 1.55 0.00 0.00 64.86 66.26 3kz4 h ILE 641 Cb 0.00 1.03 -0.09 0.00 -0.27 0.00 0.00 36.82 37.49 3kz4 h ILE 641 CO 0.00 0.08 -0.27 0.58 -1.05 0.00 0.00 178.15 177.49 3kz4 h VAL 642 N 0.10 0.31 -0.22 0.16 2.07 0.29 -0.93 116.25 118.03 3kz4 h VAL 642 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3kz4 h VAL 642 Cb 0.07 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 3kz4 h VAL 642 CO -0.01 0.00 -0.31 -0.33 0.02 0.00 0.00 177.57 176.94 3kz4 h GLU 643 N -0.19 -0.22 -0.61 1.57 5.08 -1.37 -1.26 114.58 117.58 3kz4 h GLU 643 Ca 0.19 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 3kz4 h GLU 643 Cb 0.50 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 3kz4 h GLU 643 CO -0.52 -0.15 -0.05 -0.44 -1.00 0.00 0.00 179.01 176.85 3kz4 h ASP 644 N -0.23 -0.37 0.00 1.42 3.32 -1.47 -2.26 116.42 116.83 3kz4 h ASP 644 Ca 0.04 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kz4 h ASP 644 Cb 0.34 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3kz4 h ASP 644 CO -0.33 -0.15 0.00 0.33 -1.72 0.00 0.00 179.24 177.37 3kz4 n PHE 645 N -5.33 0.00 -0.21 4.55 7.35 -0.38 -1.79 117.46 121.65 3kz4 n PHE 645 Ca 0.08 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.79 3kz4 n PHE 645 Cb 0.34 -0.46 0.12 0.00 0.35 0.00 0.00 39.48 39.83 3kz4 n PHE 645 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3kz4 h LEU 646 N 0.00 -0.07 -0.33 -2.13 3.38 -1.09 -2.32 115.31 112.76 3kz4 h LEU 646 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3kz4 h LEU 646 Cb 0.00 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3kz4 h LEU 646 CO 0.00 -0.03 -0.46 0.11 0.09 0.00 0.00 178.44 178.15 3kz4 h LYS 647 N 0.22 -0.38 -0.07 1.13 1.57 -0.98 0.17 116.57 118.24 3kz4 h LYS 647 Ca 0.34 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 3kz4 h LYS 647 Cb 0.53 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kz4 h LYS 647 CO -0.46 -0.25 0.13 0.00 -0.57 0.00 0.00 179.45 178.30 3kz4 h ARG 648 N -0.40 0.00 0.00 3.15 3.08 -0.79 0.40 114.38 119.82 3kz4 h ARG 648 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3kz4 h ARG 648 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kz4 h ARG 648 CO -0.53 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.65 3kz4 n LEU 649 N -3.41 0.00 0.00 3.04 4.77 0.03 -4.95 117.00 116.48 3kz4 n LEU 649 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3kz4 n LEU 649 Cb 0.22 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3kz4 n LEU 649 CO 0.22 -0.08 0.00 1.41 -1.33 0.00 0.00 177.39 177.61 3kz4 n HIS 650 N -1.50 0.00 0.00 -1.77 8.25 0.14 -4.70 115.22 115.64 3kz4 n HIS 650 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3kz4 n HIS 650 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3kz4 n HIS 650 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3kz4 n ILE 651 N 0.00 0.00 -4.40 1.59 3.06 -1.26 -4.53 119.36 113.82 3kz4 n ILE 651 Ca 0.00 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 59.95 3kz4 n ILE 651 Cb 0.00 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.06 3kz4 n ILE 651 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 3kz4 s PHE 652 N 0.00 2.55 -0.86 9.51 -0.12 -1.26 -4.24 117.98 123.56 3kz4 s PHE 652 Ca 0.00 -0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 56.57 3kz4 s PHE 652 Cb 0.00 -1.38 0.06 0.00 -0.63 0.00 0.00 43.02 41.07 3kz4 s PHE 652 CO 0.00 0.35 2.66 -0.40 -0.05 0.00 0.00 175.22 177.78 3kz4 n ASP 653 N 1.00 7.20 0.00 1.98 5.75 -1.24 -4.71 116.55 126.54 3kz4 n ASP 653 Ca -0.16 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 3kz4 n ASP 653 Cb 0.52 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.30 3kz4 n ASP 653 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3kz4 n VAL 654 N 1.46 0.00 0.00 2.12 0.31 -1.26 -3.88 118.33 117.08 3kz4 n VAL 654 Ca 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 3kz4 n VAL 654 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3kz4 n VAL 654 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 n ALA 655 N 0.61 0.00 0.15 3.52 0.00 -1.26 -2.06 120.51 121.47 3kz4 n ALA 655 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz4 n ALA 655 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kz4 n ARG 656 N 0.00 0.26 -3.59 0.00 1.74 -1.25 -4.64 116.66 109.18 3kz4 n ARG 656 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3kz4 n ARG 656 Cb 0.00 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 3kz4 n ARG 656 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kz4 s VAL 657 N 0.95 4.61 0.14 1.55 1.01 -0.87 -3.65 120.40 124.13 3kz4 s VAL 657 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 61.98 60.81 3kz4 s VAL 657 Cb 0.00 -3.57 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 3kz4 s VAL 657 CO 0.00 -0.23 1.09 -2.65 0.00 0.00 0.00 175.10 173.31 3kz4 n PRO 658 N 5.01 0.83 0.14 2.72 -0.02 -1.26 -4.73 135.00 137.69 3kz4 n PRO 658 Ca -0.12 0.30 0.19 0.00 -2.02 0.00 0.00 63.50 61.85 3kz4 n PRO 658 Cb 0.46 -1.75 0.78 0.00 -0.02 0.00 0.00 33.50 32.97 3kz4 n PRO 658 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kz4 h ASP 659 N 3.12 0.00 0.87 2.55 3.45 -1.96 0.86 116.42 125.31 3kz4 h ASP 659 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3kz4 h ASP 659 Cb 1.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 3kz4 h ASP 659 CO 0.68 0.00 0.00 -2.24 -1.57 0.00 0.00 179.24 176.11 3kz4 h ASP 660 N 0.00 0.00 0.00 6.45 2.03 -2.01 -3.13 116.42 119.76 3kz4 h ASP 660 Ca 0.15 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.43 3kz4 h ASP 660 Cb 0.84 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.34 3kz4 h ASP 660 CO -0.00 0.00 -0.30 1.56 -1.03 0.00 0.00 179.24 179.47 3kz4 h GLN 661 N 0.00 0.00 -0.44 4.15 1.08 0.45 -2.94 115.11 117.42 3kz4 h GLN 661 Ca 0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3kz4 h GLN 661 Cb 0.44 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.77 3kz4 h GLN 661 CO 0.00 0.19 -0.36 0.52 -0.95 0.00 0.00 178.83 178.23 3kz4 h MET 662 N -1.00 -0.25 0.01 1.46 2.86 -1.57 0.18 114.93 116.61 3kz4 h MET 662 Ca -0.03 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kz4 h MET 662 Cb 0.41 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3kz4 h MET 662 CO -0.02 -0.17 -0.02 1.88 1.06 0.00 0.00 176.91 179.64 3kz4 h TYR 663 N -0.26 -0.05 -0.91 -0.22 -1.99 -1.73 -0.90 116.97 110.91 3kz4 h TYR 663 Ca 0.17 0.00 0.24 0.00 2.00 0.00 0.00 58.73 61.15 3kz4 h TYR 663 Cb 0.56 0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 3kz4 h TYR 663 CO -0.58 -0.03 0.63 -0.09 -0.00 0.00 0.00 178.16 178.09 3kz4 h ARG 664 N -0.04 0.16 -0.77 4.88 2.43 -1.13 0.65 114.38 120.57 3kz4 h ARG 664 Ca 0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kz4 h ARG 664 Cb 0.04 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3kz4 h ARG 664 CO -0.02 0.11 0.47 1.25 -1.51 0.00 0.00 179.97 180.27 3kz4 h LEU 665 N 0.17 0.92 0.46 3.80 5.85 0.74 -2.54 115.31 124.71 3kz4 h LEU 665 Ca 0.46 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 3kz4 h LEU 665 Cb 1.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3kz4 h LEU 665 CO -0.09 0.71 -0.22 0.08 -0.34 0.00 0.00 178.44 178.58 3kz4 h ARG 666 N 1.05 -0.60 -0.99 1.25 0.11 0.56 -2.11 114.38 113.65 3kz4 h ARG 666 Ca 0.28 0.04 0.41 0.00 0.10 0.00 0.00 59.98 60.81 3kz4 h ARG 666 Cb -0.05 0.14 -0.18 0.00 1.11 0.00 0.00 29.97 30.99 3kz4 h ARG 666 CO -0.05 -0.30 0.53 -0.25 0.10 0.00 0.00 179.97 180.00 3kz4 n ASP 667 N -5.27 0.34 0.08 0.08 8.00 -0.56 0.49 116.55 119.72 3kz4 n ASP 667 Ca -0.11 1.65 -0.22 0.00 0.71 0.00 0.00 54.79 56.82 3kz4 n ASP 667 Cb 0.30 -0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 40.46 3kz4 n ASP 667 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kz4 h ARG 668 N 0.00 0.52 -0.45 -1.24 3.08 -1.26 -3.35 114.38 111.69 3kz4 h ARG 668 Ca 0.84 -0.75 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3kz4 h ARG 668 Cb 2.22 0.26 -0.03 0.00 0.08 0.00 0.00 29.97 32.50 3kz4 h ARG 668 CO -0.77 1.34 0.28 -0.07 -1.07 0.00 0.00 179.97 179.68 3kz4 h LEU 669 N 0.08 0.48 -2.17 3.04 3.38 0.74 -3.04 115.31 117.81 3kz4 h LEU 669 Ca -0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3kz4 h LEU 669 Cb 1.84 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3kz4 h LEU 669 CO 0.22 0.34 0.00 -2.11 0.09 0.00 0.00 178.44 176.98 3kz4 n ARG 670 N -4.80 0.30 -1.58 1.13 1.85 -0.27 -2.80 116.66 110.49 3kz4 n ARG 670 Ca 0.02 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.88 3kz4 n ARG 670 Cb 0.04 -1.35 0.01 0.00 -1.05 0.00 0.00 32.46 30.11 3kz4 n ARG 670 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3kz4 n LEU 671 N 0.95 0.66 -4.36 2.89 4.77 -1.15 -5.06 117.00 115.70 3kz4 n LEU 671 Ca 0.00 -2.14 -0.18 0.00 -0.03 0.00 0.00 56.01 53.66 3kz4 n LEU 671 Cb 0.15 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3kz4 n LEU 671 CO 0.00 0.75 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.71 3kz4 s LEU 672 N -0.50 2.32 0.00 2.23 1.43 -1.12 -5.14 118.68 117.90 3kz4 s LEU 672 Ca 0.27 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3kz4 s LEU 672 Cb 0.32 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.14 3kz4 s LEU 672 CO -0.13 -0.44 0.00 -0.81 0.23 0.00 0.00 176.35 175.20 3kz4 n PRO 673 N -0.46 0.00 0.00 1.29 -0.04 -1.26 -5.07 135.00 129.46 3kz4 n PRO 673 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3kz4 n PRO 673 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3kz4 n PRO 673 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3kz4 n VAL 674 N 0.00 0.00 -0.99 0.52 0.24 -1.26 -4.87 118.33 111.97 3kz4 n VAL 674 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3kz4 n VAL 674 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3kz4 n VAL 674 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kz4 n GLU 675 N 0.00 0.00 -0.04 7.34 4.07 -1.26 -4.40 120.64 126.35 3kz4 n GLU 675 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3kz4 n GLU 675 Cb 0.00 -1.02 0.01 0.00 -0.06 0.00 0.00 31.44 30.37 3kz4 n GLU 675 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3kz4 n VAL 676 N 4.98 -0.04 0.00 6.31 0.31 -1.26 0.17 118.33 128.80 3kz4 n VAL 676 Ca 0.44 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 3kz4 n VAL 676 Cb 0.01 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3kz4 n VAL 676 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kz4 n ARG 677 N -4.16 0.00 0.00 5.55 0.63 -1.26 0.16 116.66 117.58 3kz4 n ARG 677 Ca 0.01 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 3kz4 n ARG 677 Cb 0.05 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.61 3kz4 n ARG 677 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kz4 n ARG 678 N -2.20 0.00 -0.19 -0.14 5.12 0.45 -2.36 116.66 117.34 3kz4 n ARG 678 Ca 0.00 0.82 -0.07 0.00 -1.93 0.00 0.00 57.85 56.68 3kz4 n ARG 678 Cb 0.00 -1.36 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 3kz4 n ARG 678 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kz4 h LEU 679 N 0.00 -1.21 -1.05 0.55 5.85 -1.20 -0.68 115.31 117.57 3kz4 h LEU 679 Ca 0.00 0.18 0.26 0.00 0.84 0.00 0.00 57.88 59.16 3kz4 h LEU 679 Cb 0.00 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3kz4 h LEU 679 CO 0.00 -0.16 1.14 0.44 -0.34 0.00 0.00 178.44 179.52 3kz4 h ASP 680 N -0.07 0.00 0.14 1.25 3.32 0.19 0.88 116.42 122.13 3kz4 h ASP 680 Ca 0.08 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.85 3kz4 h ASP 680 Cb 0.27 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kz4 h ASP 680 CO -0.48 0.00 -1.37 -0.29 -1.72 0.00 0.00 179.24 175.38 3kz4 h ILE 681 N 0.00 1.11 -0.87 0.35 6.09 -0.88 -3.30 117.51 120.00 3kz4 h ILE 681 Ca 0.43 -2.46 0.07 0.00 -1.37 0.00 0.00 64.86 61.53 3kz4 h ILE 681 Cb 2.72 2.82 -0.06 0.00 0.47 0.00 0.00 36.82 42.77 3kz4 h ILE 681 CO -0.00 0.74 0.54 0.15 -3.07 0.00 0.00 178.15 176.50 3kz4 h PHE 682 N -0.23 1.00 -0.81 2.19 3.57 -0.82 0.12 116.94 121.96 3kz4 h PHE 682 Ca -0.28 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.33 3kz4 h PHE 682 Cb 1.82 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 3kz4 h PHE 682 CO 0.13 0.50 0.53 -0.91 -2.23 0.00 0.00 178.31 176.33 3kz4 h ASN 683 N 0.98 0.72 -0.00 0.41 2.35 -1.65 -1.19 115.58 117.20 3kz4 h ASN 683 Ca 0.39 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3kz4 h ASN 683 Cb 0.19 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3kz4 h ASN 683 CO -0.18 0.44 -0.00 0.25 -1.65 0.00 0.00 177.43 176.29 3kz4 h LEU 684 N 0.81 0.00 -0.36 1.61 5.85 -0.89 -2.81 115.31 119.52 3kz4 h LEU 684 Ca 0.37 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kz4 h LEU 684 Cb 0.36 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3kz4 h LEU 684 CO -0.14 0.34 0.24 0.40 -0.34 0.00 0.00 178.44 178.94 3kz4 h ILE 685 N -0.34 1.09 -0.28 4.05 2.04 -0.70 -2.89 117.51 120.48 3kz4 h ILE 685 Ca 0.00 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3kz4 h ILE 685 Cb 0.34 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3kz4 h ILE 685 CO 0.00 0.09 0.07 0.25 0.00 0.00 0.00 178.15 178.56 3kz4 h LEU 686 N 0.48 0.04 -1.25 1.44 5.85 -1.27 0.25 115.31 120.86 3kz4 h LEU 686 Ca 0.13 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.04 3kz4 h LEU 686 Cb -0.05 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3kz4 h LEU 686 CO -0.03 0.06 0.58 0.00 -0.34 0.00 0.00 178.44 178.71 3kz4 h MET 687 N 0.18 0.70 0.00 1.25 -0.00 -1.29 -2.08 114.93 113.69 3kz4 h MET 687 Ca 0.13 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.69 3kz4 h MET 687 Cb 0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 31.55 3kz4 h MET 687 CO -0.16 0.46 -1.32 0.09 -0.00 0.00 0.00 176.91 175.99 3kz4 n ASN 688 N -4.58 0.78 -0.03 -0.10 3.02 -0.93 -4.57 115.26 108.85 3kz4 n ASN 688 Ca 0.18 0.33 -0.01 0.00 -0.03 0.00 0.00 54.58 55.05 3kz4 n ASN 688 Cb 0.47 0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 40.03 3kz4 n ASN 688 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3kz4 n MET 689 N -2.77 -0.04 -0.21 3.52 0.00 0.84 -0.22 117.12 118.24 3kz4 n MET 689 Ca -0.06 0.36 -0.09 0.00 -0.00 0.00 0.00 57.70 57.91 3kz4 n MET 689 Cb 0.72 -0.53 -0.07 0.00 0.00 0.00 0.00 33.22 33.34 3kz4 n MET 689 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3kz4 h ASP 690 N 0.00 -1.43 -0.96 6.12 3.32 -1.81 -1.40 116.42 120.26 3kz4 h ASP 690 Ca 0.01 0.21 0.31 0.00 0.02 0.00 0.00 57.03 57.58 3kz4 h ASP 690 Cb 0.03 0.61 -0.16 0.00 0.22 0.00 0.00 39.33 40.04 3kz4 h ASP 690 CO -0.08 -0.21 0.37 -0.61 -1.72 0.00 0.00 179.24 176.99 3kz4 h GLN 691 N -0.12 0.15 0.45 3.56 4.15 -0.90 -2.28 115.11 120.12 3kz4 h GLN 691 Ca 0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3kz4 h GLN 691 Cb 0.34 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3kz4 h GLN 691 CO -0.55 0.10 -0.21 0.82 -1.93 0.00 0.00 178.83 177.05 3kz4 h ILE 692 N 0.16 0.00 -0.69 2.39 5.03 -0.96 -2.31 117.51 121.13 3kz4 h ILE 692 Ca 0.69 -0.07 0.06 0.00 -0.12 0.00 0.00 64.86 65.42 3kz4 h ILE 692 Cb 1.57 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 35.28 3kz4 h ILE 692 CO -0.72 0.00 -0.41 1.21 -0.68 0.00 0.00 178.15 177.56 3kz4 n GLU 693 N -3.81 -0.30 0.18 2.37 2.13 -0.88 0.16 120.64 120.50 3kz4 n GLU 693 Ca -0.07 1.14 0.03 0.00 0.66 0.00 0.00 57.16 58.92 3kz4 n GLU 693 Cb 0.24 -1.68 0.32 0.00 0.27 0.00 0.00 31.44 30.59 3kz4 n GLU 693 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 3kz4 h ARG 694 N 0.00 0.00 0.00 5.31 0.11 -1.62 -2.92 114.38 115.26 3kz4 h ARG 694 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3kz4 h ARG 694 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3kz4 h ARG 694 CO -0.65 0.43 0.00 0.00 0.10 0.00 0.00 179.97 179.85 3kz4 n ALA 695 N -2.38 2.10 -2.06 0.08 0.00 0.12 -4.48 120.51 113.89 3kz4 n ALA 695 Ca -0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3kz4 n ALA 695 Cb 0.49 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.75 3kz4 n ALA 695 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kz4 s SER 696 N -1.88 5.96 -0.07 0.00 0.15 -0.93 -4.75 113.70 112.18 3kz4 s SER 696 Ca 0.19 1.03 -0.21 0.00 0.70 0.00 0.00 55.95 57.66 3kz4 s SER 696 Cb 0.09 -2.12 -0.30 0.00 -1.71 0.00 0.00 66.02 61.98 3kz4 s SER 696 CO 0.15 -0.89 0.78 0.44 1.20 0.00 0.00 173.24 174.92 3kz4 h ASP 697 N -0.15 0.39 -3.56 5.45 3.32 -1.91 -3.43 116.42 116.53 3kz4 h ASP 697 Ca -0.45 -0.92 -0.71 0.00 0.02 0.00 0.00 57.03 54.97 3kz4 h ASP 697 Cb 1.22 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.38 3kz4 h ASP 697 CO 0.62 1.41 -0.52 -0.54 -1.72 0.00 0.00 179.24 178.50 3kz4 s LYS 698 N -2.42 2.72 0.00 3.56 1.02 -1.26 -4.94 119.74 118.42 3kz4 s LYS 698 Ca -0.16 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3kz4 s LYS 698 Cb 0.01 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3kz4 s LYS 698 CO 0.80 -0.77 0.00 -0.89 -0.92 0.00 0.00 175.35 173.57 3kz4 n ILE 699 N 4.94 0.00 -4.09 2.17 -0.00 -1.24 -4.77 119.36 116.37 3kz4 n ILE 699 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.53 3kz4 n ILE 699 Cb 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.01 3kz4 n ILE 699 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kz4 s ALA 700 N -0.53 0.55 -0.03 -1.39 0.00 -1.22 -4.69 121.76 114.44 3kz4 s ALA 700 Ca 0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 3kz4 s ALA 700 Cb 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 3kz4 s ALA 700 CO 0.00 -0.64 0.61 -0.65 0.00 0.00 0.00 175.76 175.08 3kz4 s GLN 701 N -4.07 4.36 0.00 0.00 1.11 -1.24 -2.11 119.66 117.71 3kz4 s GLN 701 Ca 0.28 0.75 0.00 0.00 0.01 0.00 0.00 55.36 56.40 3kz4 s GLN 701 Cb 0.05 -3.38 0.00 0.00 -1.01 0.00 0.00 33.01 28.67 3kz4 s GLN 701 CO 0.07 0.27 0.00 0.41 0.01 0.00 0.00 175.29 176.04 3kz4 n GLY 702 N 2.70 0.00 3.31 3.09 0.00 0.94 -3.11 105.19 112.13 3kz4 n GLY 702 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3kz4 n GLY 702 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kz4 s VAL 703 N 0.00 1.58 0.14 1.61 1.01 -1.21 -2.93 120.40 120.59 3kz4 s VAL 703 Ca 0.00 -2.13 0.10 0.00 0.00 0.00 0.00 61.98 59.95 3kz4 s VAL 703 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3kz4 s VAL 703 CO 0.00 -0.61 -0.19 -0.63 0.00 0.00 0.00 175.10 173.67 3kz4 s ILE 704 N -2.96 2.73 -0.13 2.22 1.01 -1.09 -2.81 121.20 120.17 3kz4 s ILE 704 Ca 0.20 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 59.24 3kz4 s ILE 704 Cb -0.00 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3kz4 s ILE 704 CO 0.05 0.05 -0.16 -0.63 0.00 0.00 0.00 174.94 174.25 3kz4 s ILE 705 N -1.26 1.64 -0.01 2.92 1.01 -0.96 -3.84 121.20 120.71 3kz4 s ILE 705 Ca 0.18 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3kz4 s ILE 705 Cb -0.10 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.78 3kz4 s ILE 705 CO 0.10 0.47 0.13 0.00 0.00 0.00 0.00 174.94 175.64 3kz4 n ALA 706 N 4.38 2.22 -2.19 9.38 0.00 -1.21 -3.20 120.51 129.90 3kz4 n ALA 706 Ca -0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.04 3kz4 n ALA 706 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 3kz4 n ALA 706 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kz4 n TYR 707 N -1.70 -1.44 -3.87 0.00 4.02 -1.26 -4.83 117.16 108.08 3kz4 n TYR 707 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 3kz4 n TYR 707 Cb 0.15 -1.97 -0.15 0.00 -0.02 0.00 0.00 39.34 37.35 3kz4 n TYR 707 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3kz4 s ARG 708 N -4.48 1.19 -0.40 -0.72 0.52 -1.26 -5.04 118.95 108.76 3kz4 s ARG 708 Ca 0.00 -1.25 -0.28 0.00 -0.52 0.00 0.00 55.73 53.68 3kz4 s ARG 708 Cb 0.00 -2.52 -0.13 0.00 0.52 0.00 0.00 34.95 32.82 3kz4 s ARG 708 CO 0.00 -0.85 1.50 -0.25 0.02 0.00 0.00 175.30 175.73 3kz4 n ASP 709 N 4.63 0.44 -4.59 0.23 9.92 -1.26 -4.74 116.55 121.19 3kz4 n ASP 709 Ca -0.03 0.39 -0.31 0.00 -0.53 0.00 0.00 54.79 54.31 3kz4 n ASP 709 Cb 0.43 -0.60 -0.10 0.00 -0.64 0.00 0.00 41.12 40.20 3kz4 n ASP 709 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3kz4 s MET 710 N 4.40 2.32 -0.18 -1.24 1.75 -1.15 -4.95 119.30 120.24 3kz4 s MET 710 Ca 0.82 -0.90 -0.29 0.00 -1.25 0.00 0.00 55.69 54.07 3kz4 s MET 710 Cb -0.97 -2.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.29 3kz4 s MET 710 CO 0.42 0.54 1.17 -1.14 -0.65 0.00 0.00 175.02 175.36 3kz4 s GLN 711 N -1.96 4.26 0.39 4.11 0.74 -1.26 -0.86 119.66 125.08 3kz4 s GLN 711 Ca 0.21 1.54 -0.26 0.00 0.05 0.00 0.00 55.36 56.90 3kz4 s GLN 711 Cb -0.11 -3.70 -0.09 0.00 1.10 0.00 0.00 33.01 30.22 3kz4 s GLN 711 CO 0.12 -0.64 1.21 -1.17 -0.55 0.00 0.00 175.29 174.26 3kz4 s LEU 712 N 3.24 4.24 0.54 3.68 2.96 -1.02 -4.92 118.68 127.39 3kz4 s LEU 712 Ca 0.51 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 3kz4 s LEU 712 Cb -0.19 -3.94 0.04 0.00 0.50 0.00 0.00 46.19 42.60 3kz4 s LEU 712 CO 0.12 -0.68 0.74 -1.61 -1.32 0.00 0.00 176.35 173.61 3kz4 s GLU 713 N -2.19 2.51 -0.07 1.98 2.02 -0.80 -4.91 118.70 117.24 3kz4 s GLU 713 Ca 0.56 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 54.55 3kz4 s GLU 713 Cb -0.33 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.36 3kz4 s GLU 713 CO 0.43 -0.68 -0.09 -0.98 0.02 0.00 0.00 175.26 173.95 3kz4 s ARG 714 N -4.68 1.47 -0.07 1.61 1.70 -1.26 -1.87 118.95 115.85 3kz4 s ARG 714 Ca 0.58 -0.30 -0.02 0.00 -0.47 0.00 0.00 55.73 55.52 3kz4 s ARG 714 Cb -0.09 -1.33 0.03 0.00 -0.57 0.00 0.00 34.95 32.99 3kz4 s ARG 714 CO 0.38 -0.07 0.03 0.34 -1.08 0.00 0.00 175.30 174.89 3kz4 s ASP 715 N 0.99 1.48 0.11 -2.89 -1.08 -0.46 -5.00 116.67 109.81 3kz4 s ASP 715 Ca -0.09 -0.06 -0.05 0.00 -0.52 0.00 0.00 52.55 51.83 3kz4 s ASP 715 Cb -0.15 -0.33 0.14 0.00 -1.46 0.00 0.00 42.92 41.13 3kz4 s ASP 715 CO 0.00 -0.22 0.64 -1.84 0.52 0.00 0.00 175.17 174.27 3kz4 n GLU 716 N 5.20 -0.07 0.20 4.34 0.28 -1.26 -0.27 120.64 129.06 3kz4 n GLU 716 Ca -0.06 0.64 0.05 0.00 -0.16 0.00 0.00 57.16 57.63 3kz4 n GLU 716 Cb 0.50 -0.95 0.42 0.00 1.43 0.00 0.00 31.44 32.85 3kz4 n GLU 716 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 3kz4 h MET 717 N 0.00 0.00 0.00 3.44 4.05 -1.89 -1.87 114.93 118.66 3kz4 h MET 717 Ca 0.17 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3kz4 h MET 717 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3kz4 h MET 717 CO -0.42 0.32 -1.36 0.66 0.23 0.00 0.00 176.91 176.35 3kz4 n TYR 718 N -3.91 0.00 0.00 1.39 4.02 0.19 -4.78 117.16 114.06 3kz4 n TYR 718 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3kz4 n TYR 718 Cb 0.39 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3kz4 n TYR 718 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kz4 n GLY 719 N 1.95 0.93 3.36 2.72 0.00 0.62 -4.37 105.19 110.40 3kz4 n GLY 719 Ca -0.01 -1.18 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 3kz4 n GLY 719 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kz4 s TYR 720 N 0.00 3.05 0.29 1.61 1.51 0.11 -1.35 117.35 122.56 3kz4 s TYR 720 Ca 0.00 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.04 3kz4 s TYR 720 Cb 0.00 -3.98 -0.05 0.00 -0.11 0.00 0.00 41.96 37.82 3kz4 s TYR 720 CO 0.00 -1.25 0.11 0.08 -1.11 0.00 0.00 175.55 173.38 3kz4 s VAL 721 N 2.47 0.60 -0.77 0.71 1.01 -0.78 -2.75 120.40 120.89 3kz4 s VAL 721 Ca 0.10 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.11 3kz4 s VAL 721 Cb -0.25 -2.62 0.22 0.00 0.00 0.00 0.00 36.38 33.73 3kz4 s VAL 721 CO 0.05 0.00 0.73 -0.46 0.00 0.00 0.00 175.10 175.42 3kz4 n ASN 722 N -0.64 3.85 0.00 3.32 6.94 -1.26 -1.91 115.26 125.56 3kz4 n ASN 722 Ca -0.00 -3.28 0.00 0.00 -0.02 0.00 0.00 54.58 51.28 3kz4 n ASN 722 Cb 0.66 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 3kz4 n ASN 722 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3kz4 n ILE 723 N 1.67 0.00 0.00 1.53 5.41 -1.26 -1.19 119.36 125.52 3kz4 n ILE 723 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.99 3kz4 n ILE 723 Cb 0.37 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 3kz4 n ILE 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kz4 n ALA 724 N -3.00 0.00 0.75 -1.39 0.00 -0.61 -4.20 120.51 112.06 3kz4 n ALA 724 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz4 n ALA 724 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 724 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kz4 n ARG 725 N 0.00 0.39 -3.43 0.00 3.00 -1.26 -4.34 116.66 111.02 3kz4 n ARG 725 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.67 3kz4 n ARG 725 Cb 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 32.46 31.34 3kz4 n ARG 725 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3kz4 s ASN 726 N -1.56 1.40 -0.47 0.55 0.01 -1.26 -5.02 114.94 108.59 3kz4 s ASN 726 Ca 0.00 -0.42 -0.19 0.00 -0.71 0.00 0.00 52.86 51.54 3kz4 s ASN 726 Cb 0.00 0.53 0.04 0.00 0.41 0.00 0.00 41.25 42.23 3kz4 s ASN 726 CO 0.00 -0.35 0.57 -1.48 -1.51 0.00 0.00 177.10 174.33 3kz4 s LEU 727 N 2.37 4.85 -0.22 0.60 2.34 -1.26 -4.99 118.68 122.37 3kz4 s LEU 727 Ca 0.09 -0.73 -0.09 0.00 0.06 0.00 0.00 54.13 53.47 3kz4 s LEU 727 Cb -0.15 -2.49 0.09 0.00 -0.56 0.00 0.00 46.19 43.09 3kz4 s LEU 727 CO -0.22 -0.77 0.49 1.51 -1.06 0.00 0.00 176.35 176.29 3kz4 s ASP 728 N 2.28 -0.54 0.00 1.48 1.47 -1.26 -4.90 116.67 115.20 3kz4 s ASP 728 Ca 0.16 1.13 0.00 0.00 1.18 0.00 0.00 52.55 55.02 3kz4 s ASP 728 Cb -0.18 1.43 0.00 0.00 -0.34 0.00 0.00 42.92 43.84 3kz4 s ASP 728 CO 0.14 -0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.38 3kz4 n GLY 729 N 5.10 1.34 3.17 2.12 0.00 -1.26 -5.10 105.19 110.56 3kz4 n GLY 729 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3kz4 n GLY 729 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kz4 s PHE 730 N -2.00 -0.41 0.94 1.61 0.40 -1.26 -5.06 117.98 112.19 3kz4 s PHE 730 Ca 0.00 0.95 -0.16 0.00 -0.60 0.00 0.00 56.93 57.12 3kz4 s PHE 730 Cb 0.00 0.14 -0.10 0.00 0.51 0.00 0.00 43.02 43.57 3kz4 s PHE 730 CO 0.00 -0.24 -0.40 1.04 0.70 0.00 0.00 175.22 176.32 3kz4 n GLN 731 N 3.78 -0.05 -5.04 0.44 6.02 -1.26 -4.66 117.38 116.61 3kz4 n GLN 731 Ca -0.20 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.49 3kz4 n GLN 731 Cb 0.55 -1.25 -0.17 0.00 1.02 0.00 0.00 30.24 30.40 3kz4 n GLN 731 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kz4 s GLN 732 N -2.35 2.46 -0.36 -1.09 -0.21 -1.26 -2.69 119.66 114.17 3kz4 s GLN 732 Ca 0.47 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 55.12 3kz4 s GLN 732 Cb -0.22 -1.97 0.11 0.00 1.00 0.00 0.00 33.01 31.93 3kz4 s GLN 732 CO 0.77 0.20 0.10 0.42 -2.12 0.00 0.00 175.29 174.66 3kz4 s ILE 733 N 0.24 1.85 -0.51 1.08 1.01 -1.13 -5.00 121.20 118.74 3kz4 s ILE 733 Ca -0.12 -2.19 -0.30 0.00 0.00 0.00 0.00 60.65 58.04 3kz4 s ILE 733 Cb -0.16 -2.36 -0.11 0.00 0.01 0.00 0.00 42.46 39.85 3kz4 s ILE 733 CO 0.06 -0.66 2.38 -3.20 0.00 0.00 0.00 174.94 173.51 3kz4 n ASN 734 N 4.25 2.02 -0.03 3.58 2.85 -1.26 -3.27 115.26 123.40 3kz4 n ASN 734 Ca 0.03 -0.04 -0.10 0.00 -0.11 0.00 0.00 54.58 54.36 3kz4 n ASN 734 Cb 0.40 -1.37 -0.04 0.00 1.24 0.00 0.00 39.78 40.02 3kz4 n ASN 734 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3kz4 h LEU 735 N 15.63 -1.03 -0.49 1.20 3.38 -1.93 0.21 115.31 132.28 3kz4 h LEU 735 Ca -0.24 0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3kz4 h LEU 735 Cb 1.29 0.45 -0.10 0.00 0.09 0.00 0.00 40.66 42.38 3kz4 h LEU 735 CO 1.14 -0.35 -0.33 -0.08 0.09 0.00 0.00 178.44 178.91 3kz4 h GLU 736 N -0.36 -0.20 0.00 1.13 4.81 -1.86 0.98 114.58 119.08 3kz4 h GLU 736 Ca 0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kz4 h GLU 736 Cb 0.54 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3kz4 h GLU 736 CO -0.40 -0.13 0.03 0.39 -0.73 0.00 0.00 179.01 178.17 3kz4 n GLU 737 N -5.42 0.00 0.00 1.92 -0.58 0.55 -1.86 120.64 115.25 3kz4 n GLU 737 Ca 0.03 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3kz4 n GLU 737 Cb 0.34 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3kz4 n GLU 737 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3kz4 n LEU 738 N -1.40 0.14 -0.37 -4.62 7.94 0.33 -4.39 117.00 114.63 3kz4 n LEU 738 Ca 0.00 0.04 0.03 0.00 -1.11 0.00 0.00 56.01 54.97 3kz4 n LEU 738 Cb 0.03 -0.31 0.10 0.00 0.53 0.00 0.00 43.42 43.77 3kz4 n LEU 738 CO 0.00 -0.31 0.63 -0.03 -1.11 0.00 0.00 177.39 176.57 3kz4 h MET 739 N 0.00 -0.00 -0.06 1.96 1.85 -1.22 1.21 114.93 118.66 3kz4 h MET 739 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3kz4 h MET 739 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3kz4 h MET 739 CO 0.00 -0.00 0.00 0.54 -0.40 0.00 0.00 176.91 177.05 3kz4 n ARG 740 N -5.57 0.36 0.00 0.39 5.12 -0.78 -2.82 116.66 113.36 3kz4 n ARG 740 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3kz4 n ARG 740 Cb 0.46 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 3kz4 n ARG 740 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kz4 n THR 741 N -0.35 0.00 -0.99 0.55 -2.24 0.39 -5.04 114.28 106.61 3kz4 n THR 741 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3kz4 n THR 741 Cb 0.02 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3kz4 n THR 741 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kz4 n GLY 742 N 0.00 -3.43 3.95 3.38 0.00 0.09 -4.96 105.19 104.23 3kz4 n GLY 742 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 3kz4 n GLY 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kz4 s ASP 743 N -5.19 6.33 0.00 1.61 2.15 -1.26 -4.77 116.67 115.53 3kz4 s ASP 743 Ca 0.00 0.18 0.02 0.00 0.43 0.00 0.00 52.55 53.18 3kz4 s ASP 743 Cb 0.00 -1.91 0.02 0.00 -0.30 0.00 0.00 42.92 40.73 3kz4 s ASP 743 CO 0.00 -0.06 0.60 -1.22 -0.17 0.00 0.00 175.17 174.32 3kz4 n TYR 744 N -1.15 0.01 -0.80 -5.34 0.53 -1.26 -4.97 117.16 104.19 3kz4 n TYR 744 Ca -0.07 -0.03 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 3kz4 n TYR 744 Cb 0.56 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.86 3kz4 n TYR 744 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kz4 n ALA 745 N 0.09 0.00 -0.31 -0.72 0.00 -1.26 -4.86 120.51 113.45 3kz4 n ALA 745 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3kz4 n ALA 745 Cb 0.07 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.62 3kz4 n ALA 745 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kz4 n GLN 746 N -2.00 -0.11 -0.19 0.00 7.27 -1.26 0.43 117.38 121.52 3kz4 n GLN 746 Ca 0.00 1.32 -0.07 0.00 0.07 0.00 0.00 57.00 58.32 3kz4 n GLN 746 Cb 0.00 -1.97 0.02 0.00 2.41 0.00 0.00 30.24 30.70 3kz4 n GLN 746 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3kz4 h ILE 747 N 0.00 1.17 -0.89 1.69 2.10 -1.99 -2.10 117.51 117.49 3kz4 h ILE 747 Ca 0.38 -0.40 0.17 0.00 1.08 0.00 0.00 64.86 66.08 3kz4 h ILE 747 Cb 0.59 0.45 -0.10 0.00 -1.09 0.00 0.00 36.82 36.67 3kz4 h ILE 747 CO -0.87 0.18 0.46 0.74 -1.08 0.00 0.00 178.15 177.58 3kz4 h THR 748 N 0.73 0.67 0.10 2.19 2.02 0.86 0.14 112.91 119.62 3kz4 h THR 748 Ca 0.19 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3kz4 h THR 748 Cb 0.01 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3kz4 h THR 748 CO -0.03 0.11 -0.05 -1.13 0.37 0.00 0.00 175.52 174.79 3kz4 h ASN 749 N 0.60 -0.11 -0.94 4.18 -0.73 0.20 -1.40 115.58 117.38 3kz4 h ASN 749 Ca 0.50 -0.45 0.09 0.00 1.87 0.00 0.00 56.30 58.32 3kz4 h ASN 749 Cb 0.78 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 39.33 3kz4 h ASN 749 CO -0.40 0.44 0.61 0.24 -0.37 0.00 0.00 177.43 177.95 3kz4 h MET 750 N -0.73 0.96 -0.24 6.67 0.00 -0.91 0.54 114.93 121.24 3kz4 h MET 750 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 59.70 59.54 3kz4 h MET 750 Cb 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 31.60 31.93 3kz4 h MET 750 CO 0.02 0.64 -0.20 1.25 0.00 0.00 0.00 176.91 178.62 3kz4 h LEU 751 N 0.99 0.58 0.53 1.22 5.85 -0.77 1.18 115.31 124.90 3kz4 h LEU 751 Ca 0.43 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3kz4 h LEU 751 Cb 0.35 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3kz4 h LEU 751 CO -0.19 0.92 -0.31 0.25 -0.34 0.00 0.00 178.44 178.77 3kz4 h LEU 752 N 0.26 -0.76 -1.55 2.25 5.85 0.02 0.25 115.31 121.63 3kz4 h LEU 752 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kz4 h LEU 752 Cb 0.74 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kz4 h LEU 752 CO 0.05 -0.49 0.00 0.59 -0.34 0.00 0.00 178.44 178.25 3kz4 n ASN 753 N -5.45 1.84 -3.16 1.25 3.02 0.03 -4.84 115.26 107.95 3kz4 n ASN 753 Ca -0.12 -1.75 -0.25 0.00 -0.03 0.00 0.00 54.58 52.43 3kz4 n ASN 753 Cb 0.34 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3kz4 n ASN 753 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kz4 n ASN 754 N 0.34 -3.91 -4.56 6.41 3.02 0.87 -4.98 115.26 112.45 3kz4 n ASN 754 Ca 0.00 -0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 53.84 3kz4 n ASN 754 Cb 0.34 -1.20 -0.11 0.00 -0.61 0.00 0.00 39.78 38.20 3kz4 n ASN 754 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kz4 s GLN 755 N -2.90 2.29 -0.02 3.52 -0.21 0.41 -4.99 119.66 117.75 3kz4 s GLN 755 Ca 0.17 -0.89 -0.32 0.00 0.02 0.00 0.00 55.36 54.34 3kz4 s GLN 755 Cb -0.02 -2.36 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 3kz4 s GLN 755 CO 0.67 0.55 1.95 -2.30 -2.12 0.00 0.00 175.29 174.05 3kz4 n PRO 756 N 1.24 2.57 -3.68 2.91 -0.02 -1.26 -4.65 135.00 132.11 3kz4 n PRO 756 Ca -0.15 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3kz4 n PRO 756 Cb 0.52 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 3kz4 n PRO 756 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kz4 s VAL 757 N 4.48 0.07 0.24 -1.45 1.01 -1.19 -4.62 120.40 118.93 3kz4 s VAL 757 Ca 0.91 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.43 3kz4 s VAL 757 Cb -0.53 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3kz4 s VAL 757 CO 0.46 -0.31 -0.17 0.00 0.00 0.00 0.00 175.10 175.08 3kz4 s ALA 758 N -2.82 2.34 -0.09 5.51 0.00 -1.09 -2.26 121.76 123.34 3kz4 s ALA 758 Ca -0.03 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.18 3kz4 s ALA 758 Cb -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3kz4 s ALA 758 CO -0.05 0.16 -0.07 -0.51 0.00 0.00 0.00 175.76 175.29 3kz4 s LEU 759 N -3.39 1.24 -0.02 0.00 1.43 -1.12 -2.86 118.68 113.96 3kz4 s LEU 759 Ca 0.26 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3kz4 s LEU 759 Cb -0.03 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3kz4 s LEU 759 CO 0.10 -0.08 0.13 -0.69 0.23 0.00 0.00 176.35 176.04 3kz4 s VAL 760 N 1.37 5.12 0.00 -1.59 1.01 -1.20 -3.34 120.40 121.77 3kz4 s VAL 760 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3kz4 s VAL 760 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3kz4 s VAL 760 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3kz4 n GLY 761 N 1.18 0.81 3.77 4.51 0.00 -1.26 -3.21 105.19 110.99 3kz4 n GLY 761 Ca -0.13 -2.33 -0.32 0.00 0.00 0.00 0.00 46.02 43.25 3kz4 n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz4 s ALA 762 N -1.04 2.38 0.07 4.61 0.00 -1.26 -0.04 121.76 126.48 3kz4 s ALA 762 Ca 0.00 0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.06 3kz4 s ALA 762 Cb 0.00 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3kz4 s ALA 762 CO 0.00 -1.51 0.96 -0.51 0.00 0.00 0.00 175.76 174.69 3kz4 s LEU 763 N -5.45 -0.24 0.00 0.00 1.43 -0.90 -3.43 118.68 110.09 3kz4 s LEU 763 Ca 0.63 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3kz4 s LEU 763 Cb -0.18 2.03 0.00 0.00 0.03 0.00 0.00 46.19 48.07 3kz4 s LEU 763 CO 0.50 -0.73 0.00 -2.65 0.23 0.00 0.00 176.35 173.69 3kz4 n PRO 764 N -0.37 0.00 0.00 1.29 -0.02 -1.26 -3.46 135.00 131.18 3kz4 n PRO 764 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3kz4 n PRO 764 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3kz4 n PRO 764 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kz4 n PHE 765 N 0.00 0.00 -3.74 6.00 7.35 -1.26 -3.69 117.46 122.12 3kz4 n PHE 765 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 3kz4 n PHE 765 Cb 0.00 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.66 3kz4 n PHE 765 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3kz4 s VAL 766 N 0.00 0.30 0.48 -2.13 1.01 -0.72 -4.89 120.40 114.46 3kz4 s VAL 766 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3kz4 s VAL 766 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 3kz4 s VAL 766 CO 0.00 0.12 1.00 0.42 0.00 0.00 0.00 175.10 176.64 3kz4 s THR 767 N 1.99 4.13 -0.23 3.92 -4.23 -1.26 -1.57 115.64 118.39 3kz4 s THR 767 Ca 0.04 1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 61.61 3kz4 s THR 767 Cb -0.13 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.23 3kz4 s THR 767 CO -0.06 -0.37 0.59 -0.62 -0.54 0.00 0.00 174.62 173.62 3kz4 s ASP 768 N -2.31 -0.68 0.00 3.99 -1.08 -0.87 -4.92 116.67 110.80 3kz4 s ASP 768 Ca 0.64 1.23 0.16 0.00 -0.52 0.00 0.00 52.55 54.05 3kz4 s ASP 768 Cb -0.13 1.19 0.06 0.00 -1.46 0.00 0.00 42.92 42.58 3kz4 s ASP 768 CO 0.21 -0.21 0.91 -1.20 0.52 0.00 0.00 175.17 175.40 3kz4 n SER 769 N 3.37 1.92 -4.55 -0.34 7.64 -1.26 -1.94 113.62 118.46 3kz4 n SER 769 Ca -0.17 -1.46 -0.36 0.00 1.01 0.00 0.00 58.87 57.89 3kz4 n SER 769 Cb 0.56 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 3kz4 n SER 769 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kz4 s SER 770 N -1.60 4.82 0.19 6.43 0.01 -1.26 -4.76 113.70 117.53 3kz4 s SER 770 Ca 0.15 0.64 -0.18 0.00 1.31 0.00 0.00 55.95 57.87 3kz4 s SER 770 Cb 0.13 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.99 3kz4 s SER 770 CO 0.30 -2.69 1.61 1.62 0.41 0.00 0.00 173.24 174.49 3kz4 h VAL 771 N 7.31 0.27 -0.59 3.43 3.04 -1.93 0.20 116.25 127.98 3kz4 h VAL 771 Ca -0.23 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.58 3kz4 h VAL 771 Cb 1.20 0.27 -0.12 0.00 -2.01 0.00 0.00 31.29 30.63 3kz4 h VAL 771 CO 1.18 0.00 -0.22 -0.29 -1.01 0.00 0.00 177.57 177.23 3kz4 h ILE 772 N -0.12 0.30 -0.26 3.17 2.10 -1.88 -2.61 117.51 118.21 3kz4 h ILE 772 Ca 0.25 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.21 3kz4 h ILE 772 Cb 0.51 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 36.51 3kz4 h ILE 772 CO -0.63 0.00 -0.16 -1.20 -1.08 0.00 0.00 178.15 175.09 3kz4 n SER 773 N -5.43 -0.28 -0.33 2.19 7.64 0.71 0.18 113.62 118.29 3kz4 n SER 773 Ca 0.06 0.93 0.18 0.00 1.01 0.00 0.00 58.87 61.04 3kz4 n SER 773 Cb 0.34 -0.29 0.34 0.00 -1.01 0.00 0.00 64.21 63.58 3kz4 n SER 773 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kz4 n LEU 774 N -3.52 -0.03 -0.00 -3.43 0.00 -0.98 0.14 117.00 109.18 3kz4 n LEU 774 Ca 0.01 1.64 0.11 0.00 0.00 0.00 0.00 56.01 57.76 3kz4 n LEU 774 Cb 0.07 -0.63 0.53 0.00 0.00 0.00 0.00 43.42 43.38 3kz4 n LEU 774 CO -0.04 -1.69 1.16 0.40 0.00 0.00 0.00 177.39 177.22 3kz4 h ILE 775 N 0.00 0.93 -0.94 1.96 5.03 0.18 0.19 117.51 124.86 3kz4 h ILE 775 Ca 0.63 -0.11 -0.62 0.00 -0.12 0.00 0.00 64.86 64.64 3kz4 h ILE 775 Cb 1.39 0.58 -0.28 0.00 -3.03 0.00 0.00 36.82 35.49 3kz4 h ILE 775 CO -0.88 0.06 0.80 0.00 -0.68 0.00 0.00 178.15 177.44 3kz4 n ALA 776 N -2.53 6.09 -2.21 1.87 0.00 0.38 -4.92 120.51 119.19 3kz4 n ALA 776 Ca 0.06 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.31 3kz4 n ALA 776 Cb 0.29 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3kz4 n ALA 776 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kz4 n LYS 777 N -0.82 -0.81 -0.21 0.00 4.01 0.06 -4.73 118.16 115.66 3kz4 n LYS 777 Ca 0.59 -0.10 -0.00 0.00 -0.51 0.00 0.00 58.31 58.29 3kz4 n LYS 777 Cb 0.80 0.18 0.11 0.00 -0.51 0.00 0.00 35.03 35.61 3kz4 n LYS 777 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3kz4 h LEU 778 N 1.20 0.31 0.00 -0.35 3.38 -1.77 -1.03 115.31 117.05 3kz4 h LEU 778 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kz4 h LEU 778 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kz4 h LEU 778 CO 0.00 0.19 0.16 -0.90 0.09 0.00 0.00 178.44 177.98 3kz4 n ASP 779 N -4.94 0.00 -0.77 -0.43 5.75 -1.26 0.12 116.55 115.02 3kz4 n ASP 779 Ca 0.09 0.31 0.13 0.00 -0.01 0.00 0.00 54.79 55.30 3kz4 n ASP 779 Cb 0.25 -0.31 0.26 0.00 -1.03 0.00 0.00 41.12 40.29 3kz4 n ASP 779 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kz4 n ALA 780 N -1.30 2.51 -1.23 2.12 0.00 -0.39 -4.75 120.51 117.47 3kz4 n ALA 780 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3kz4 n ALA 780 Cb 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3kz4 n ALA 780 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kz4 n THR 781 N 0.88 0.00 0.00 0.00 -1.04 0.33 -4.64 114.28 109.81 3kz4 n THR 781 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3kz4 n THR 781 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3kz4 n THR 781 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kz4 n VAL 782 N 0.00 0.00 -0.28 12.58 0.31 -1.26 -2.28 118.33 127.40 3kz4 n VAL 782 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3kz4 n VAL 782 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 3kz4 n VAL 782 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kz4 h PHE 783 N 0.00 0.77 -0.97 3.52 -1.00 -1.89 -2.41 116.94 114.96 3kz4 h PHE 783 Ca 0.00 0.03 0.37 0.00 2.81 0.00 0.00 57.97 61.18 3kz4 h PHE 783 Cb 0.00 -0.22 -0.18 0.00 3.61 0.00 0.00 35.95 39.16 3kz4 h PHE 783 CO 0.00 0.26 0.39 0.00 -1.61 0.00 0.00 178.31 177.35 3kz4 n ALA 784 N -2.40 0.86 -0.45 2.45 0.00 -0.97 -3.85 120.51 116.16 3kz4 n ALA 784 Ca 0.14 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.58 3kz4 n ALA 784 Cb 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3kz4 n ALA 784 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kz4 n GLN 785 N -5.26 0.00 0.00 0.00 -0.06 -0.91 -3.56 117.38 107.59 3kz4 n GLN 785 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 3kz4 n GLN 785 Cb 1.11 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.29 3kz4 n GLN 785 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 3kz4 n ILE 786 N 0.00 0.00 -0.15 1.69 -5.35 -1.25 0.12 119.36 114.42 3kz4 n ILE 786 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 3kz4 n ILE 786 Cb 0.00 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 38.12 3kz4 n ILE 786 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3kz4 n VAL 787 N 0.00 -0.10 -0.35 7.28 0.31 -1.23 0.15 118.33 124.38 3kz4 n VAL 787 Ca 0.00 0.63 -0.05 0.00 -0.01 0.00 0.00 64.34 64.91 3kz4 n VAL 787 Cb 0.00 -1.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 3kz4 n VAL 787 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kz4 n LYS 788 N -3.43 -0.28 -3.64 5.55 5.02 0.12 -4.52 118.16 116.97 3kz4 n LYS 788 Ca 0.13 1.35 -0.08 0.00 -2.02 0.00 0.00 58.31 57.70 3kz4 n LYS 788 Cb 0.51 -2.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 3kz4 n LYS 788 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kz4 s LEU 789 N -10.45 -0.60 0.00 -0.35 0.20 0.38 -5.13 118.68 102.73 3kz4 s LEU 789 Ca -0.12 1.07 0.00 0.00 0.69 0.00 0.00 54.13 55.78 3kz4 s LEU 789 Cb 0.15 2.05 0.00 0.00 -0.43 0.00 0.00 46.19 47.95 3kz4 s LEU 789 CO 0.60 -0.18 0.00 -1.14 -0.29 0.00 0.00 176.35 175.34 3kz4 n ARG 790 N 2.98 0.00 0.00 1.98 3.00 -1.25 -4.69 116.66 118.68 3kz4 n ARG 790 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3kz4 n ARG 790 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 3kz4 n ARG 790 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3kz4 n LYS 791 N 0.00 0.00 -0.14 -0.14 3.00 -1.26 -4.57 118.16 115.05 3kz4 n LYS 791 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kz4 n LYS 791 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kz4 n LYS 791 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3kz4 n VAL 792 N 0.00 0.00 0.04 3.15 0.24 -1.26 -4.78 118.33 115.72 3kz4 n VAL 792 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3kz4 n VAL 792 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 3kz4 n VAL 792 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kz4 h ASP 793 N 0.00 -0.13 0.00 -1.34 3.32 -1.99 -3.28 116.42 113.00 3kz4 h ASP 793 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3kz4 h ASP 793 Cb 0.00 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3kz4 h ASP 793 CO 0.00 0.35 0.05 0.35 -1.72 0.00 0.00 179.24 178.28 3kz4 n THR 794 N -4.93 0.68 -2.74 0.35 -2.24 -1.26 -4.50 114.28 99.63 3kz4 n THR 794 Ca -0.08 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 3kz4 n THR 794 Cb 0.26 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.22 3kz4 n THR 794 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kz4 n LEU 795 N 2.07 5.91 -4.65 3.22 7.94 -1.24 -4.93 117.00 125.32 3kz4 n LEU 795 Ca 0.03 -5.50 -0.42 0.00 -1.11 0.00 0.00 56.01 49.00 3kz4 n LEU 795 Cb 0.18 -0.85 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 3kz4 n LEU 795 CO 0.05 2.19 1.44 -0.54 -1.11 0.00 0.00 177.39 179.42 3kz4 s LYS 796 N -3.89 4.02 0.49 1.96 1.02 -1.26 -4.65 119.74 117.42 3kz4 s LYS 796 Ca 0.45 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.57 3kz4 s LYS 796 Cb 0.25 -4.05 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3kz4 s LYS 796 CO -0.15 -1.05 0.71 -1.25 -0.92 0.00 0.00 175.35 172.70 3kz4 s PRO 797 N 4.40 2.89 -0.07 -1.68 0.04 -1.26 -4.92 135.00 134.39 3kz4 s PRO 797 Ca 0.77 -0.56 0.01 0.00 0.04 0.00 0.00 61.00 61.26 3kz4 s PRO 797 Cb -0.33 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3kz4 s PRO 797 CO 0.32 -0.43 -0.08 0.96 0.04 0.00 0.00 177.00 177.81 3kz4 s ILE 798 N -2.64 3.60 -0.02 0.56 -4.36 -1.26 -1.75 121.20 115.33 3kz4 s ILE 798 Ca 0.51 -0.51 0.03 0.00 -0.26 0.00 0.00 60.65 60.42 3kz4 s ILE 798 Cb -0.10 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.13 3kz4 s ILE 798 CO 0.38 0.59 -0.11 -0.22 0.24 0.00 0.00 174.94 175.82 3kz4 s LEU 799 N -0.66 1.92 -0.77 0.37 1.98 -0.61 -4.84 118.68 116.06 3kz4 s LEU 799 Ca 0.10 -0.20 -0.10 0.00 -2.89 0.00 0.00 54.13 51.04 3kz4 s LEU 799 Cb -0.11 -0.59 0.20 0.00 0.66 0.00 0.00 46.19 46.35 3kz4 s LEU 799 CO 0.02 0.11 0.67 -0.31 -1.89 0.00 0.00 176.35 174.95 3kz4 s TYR 800 N -0.05 3.66 -1.13 5.38 1.51 -1.26 -2.05 117.35 123.42 3kz4 s TYR 800 Ca 0.01 -2.28 -0.22 0.00 -1.01 0.00 0.00 57.07 53.57 3kz4 s TYR 800 Cb -0.06 -3.61 -0.04 0.00 -0.11 0.00 0.00 41.96 38.14 3kz4 s TYR 800 CO 0.00 -0.93 1.86 0.21 -1.11 0.00 0.00 175.55 175.57 3kz4 s LYS 801 N -0.00 2.88 -0.33 -0.62 2.20 -0.82 -4.35 119.74 118.70 3kz4 s LYS 801 Ca 0.18 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 3kz4 s LYS 801 Cb -0.13 -5.27 0.03 0.00 -1.51 0.00 0.00 37.83 30.95 3kz4 s LYS 801 CO -0.07 -3.37 0.10 0.42 -0.36 0.00 0.00 175.35 172.07 3kz4 s ILE 802 N 9.01 3.92 0.13 5.43 1.01 -1.11 -4.44 121.20 135.15 3kz4 s ILE 802 Ca 0.64 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 60.45 3kz4 s ILE 802 Cb -0.01 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3kz4 s ILE 802 CO 0.07 -0.09 -0.24 0.54 0.00 0.00 0.00 174.94 175.22 3kz4 s ASN 803 N 1.45 3.03 -0.72 3.58 2.20 -1.26 0.04 114.94 123.26 3kz4 s ASN 803 Ca 0.00 -0.76 -0.17 0.00 -0.94 0.00 0.00 52.86 50.99 3kz4 s ASN 803 Cb -0.19 -0.19 -0.14 0.00 -2.00 0.00 0.00 41.25 38.73 3kz4 s ASN 803 CO 0.03 0.11 1.91 -0.24 -2.94 0.00 0.00 177.10 175.97 3kz4 n SER 804 N 0.82 2.92 0.00 3.54 2.88 -1.02 -3.85 113.62 118.91 3kz4 n SER 804 Ca -0.17 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 3kz4 n SER 804 Cb 0.54 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3kz4 n SER 804 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3kz4 n ASP 805 N 6.62 0.00 0.00 -3.46 2.03 -1.26 -4.21 116.55 116.27 3kz4 n ASP 805 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 3kz4 n ASP 805 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 3kz4 n ASP 805 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3kz4 n SER 806 N 0.00 0.00 -3.92 1.67 7.64 -1.26 -3.77 113.62 113.98 3kz4 n SER 806 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3kz4 n SER 806 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3kz4 n SER 806 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kz4 s ASN 807 N -0.76 4.43 0.65 6.43 0.01 -1.25 -4.91 114.94 119.55 3kz4 s ASN 807 Ca 0.00 -3.28 0.18 0.00 -0.71 0.00 0.00 52.86 49.05 3kz4 s ASN 807 Cb 0.00 -1.61 0.92 0.00 0.41 0.00 0.00 41.25 40.98 3kz4 s ASN 807 CO 0.00 -0.18 1.51 -2.24 -1.51 0.00 0.00 177.10 174.68 3kz4 h ASP 808 N 6.14 0.00 0.00 -1.22 2.03 -1.89 -2.38 116.42 119.09 3kz4 h ASP 808 Ca -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.17 3kz4 h ASP 808 Cb 0.85 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.30 3kz4 h ASP 808 CO 0.69 0.00 -0.20 0.49 -1.03 0.00 0.00 179.24 179.19 3kz4 n PHE 809 N -2.82 0.00 -1.02 4.15 3.01 -1.26 -4.65 117.46 114.87 3kz4 n PHE 809 Ca 0.01 -1.19 -0.25 0.00 1.01 0.00 0.00 57.45 57.04 3kz4 n PHE 809 Cb 0.72 -1.20 0.09 0.00 -0.01 0.00 0.00 39.48 39.07 3kz4 n PHE 809 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3kz4 n TYR 810 N 2.33 2.48 -2.17 1.38 4.02 -0.90 -4.51 117.16 119.80 3kz4 n TYR 810 Ca 0.28 -2.27 -0.42 0.00 -0.01 0.00 0.00 57.90 55.48 3kz4 n TYR 810 Cb 0.71 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 3kz4 n TYR 810 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3kz4 n LEU 811 N -0.50 7.00 0.06 7.72 4.77 -1.26 -4.15 117.00 130.64 3kz4 n LEU 811 Ca 0.48 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 3kz4 n LEU 811 Cb 0.87 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3kz4 n LEU 811 CO 0.58 1.49 0.00 0.55 -1.33 0.00 0.00 177.39 178.68 3kz4 n VAL 812 N 3.26 0.09 1.29 4.08 3.14 -1.26 -4.84 118.33 124.10 3kz4 n VAL 812 Ca 0.46 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 3kz4 n VAL 812 Cb 0.34 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 3kz4 n VAL 812 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kz4 n ALA 813 N -2.94 2.29 0.66 1.55 0.00 -1.26 -1.69 120.51 119.12 3kz4 n ALA 813 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3kz4 n ALA 813 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 3kz4 n ALA 813 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kz4 n ASN 814 N -0.24 0.66 -4.09 0.00 3.02 -1.26 -4.89 115.26 108.45 3kz4 n ASN 814 Ca 0.00 -0.62 -0.26 0.00 -0.03 0.00 0.00 54.58 53.67 3kz4 n ASN 814 Cb 0.09 1.28 -0.16 0.00 -0.61 0.00 0.00 39.78 40.38 3kz4 n ASN 814 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kz4 s TYR 815 N -3.17 1.64 -0.08 3.10 1.51 -0.68 -5.09 117.35 114.58 3kz4 s TYR 815 Ca 0.03 -0.54 -0.32 0.00 -1.01 0.00 0.00 57.07 55.24 3kz4 s TYR 815 Cb 0.15 -1.14 -0.10 0.00 -0.11 0.00 0.00 41.96 40.77 3kz4 s TYR 815 CO 0.87 -0.22 2.00 -0.40 -1.11 0.00 0.00 175.55 176.69 3kz4 n ASP 816 N 3.41 3.60 -3.64 2.29 5.75 -1.26 -4.87 116.55 121.84 3kz4 n ASP 816 Ca -0.20 0.78 -0.01 0.00 -0.01 0.00 0.00 54.79 55.35 3kz4 n ASP 816 Cb 0.53 -1.45 -0.02 0.00 -1.03 0.00 0.00 41.12 39.15 3kz4 n ASP 816 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3kz4 s TRP 817 N 5.16 -0.01 0.03 2.11 -0.00 -1.26 -5.15 118.94 119.81 3kz4 s TRP 817 Ca 0.94 0.00 0.05 0.00 -0.00 0.00 0.00 56.10 57.09 3kz4 s TRP 817 Cb -0.55 0.50 -0.02 0.00 -0.00 0.00 0.00 33.47 33.40 3kz4 s TRP 817 CO 0.45 -0.01 -0.14 0.08 -0.00 0.00 0.00 176.95 177.33 3kz4 s VAL 818 N -2.03 1.10 -0.09 5.86 1.01 -1.26 -5.04 120.40 119.96 3kz4 s VAL 818 Ca 0.12 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3kz4 s VAL 818 Cb -0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 3kz4 s VAL 818 CO -0.03 0.09 2.08 -2.65 0.00 0.00 0.00 175.10 174.59 3kz4 n PRO 819 N 2.13 2.38 -2.99 2.72 -0.02 -1.26 -4.97 135.00 132.98 3kz4 n PRO 819 Ca -0.17 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 3kz4 n PRO 819 Cb 0.55 -3.06 0.01 0.00 -0.02 0.00 0.00 33.50 30.98 3kz4 n PRO 819 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kz4 n THR 820 N 6.50 5.33 -2.84 3.45 -1.04 -1.26 -2.43 114.28 121.99 3kz4 n THR 820 Ca 0.25 -5.91 -0.43 0.00 -2.04 0.00 0.00 64.05 55.93 3kz4 n THR 820 Cb 0.41 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 66.79 3kz4 n THR 820 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kz4 s SER 821 N -1.71 6.59 0.00 8.00 1.04 -0.04 -4.65 113.70 122.94 3kz4 s SER 821 Ca 0.31 0.38 0.16 0.00 0.48 0.00 0.00 55.95 57.28 3kz4 s SER 821 Cb 0.05 -2.45 0.82 0.00 0.10 0.00 0.00 66.02 64.55 3kz4 s SER 821 CO 0.10 -0.90 1.43 0.41 0.98 0.00 0.00 173.24 175.27 3kz4 n THR 822 N 6.09 0.44 -3.48 2.02 -1.04 -1.26 -2.93 114.28 114.12 3kz4 n THR 822 Ca 0.06 0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 3kz4 n THR 822 Cb 0.48 -0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 68.10 3kz4 n THR 822 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3kz4 s THR 823 N -2.45 0.00 0.37 12.58 -1.32 -1.26 -3.31 115.64 120.24 3kz4 s THR 823 Ca 0.17 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.62 3kz4 s THR 823 Cb 0.11 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.11 3kz4 s THR 823 CO 0.23 0.00 0.52 -1.59 -2.21 0.00 0.00 174.62 171.57 3kz4 s LYS 824 N -2.47 2.02 0.34 7.08 -2.85 -1.25 -4.90 119.74 117.72 3kz4 s LYS 824 Ca -0.03 -1.79 0.05 0.00 -1.00 0.00 0.00 55.97 53.20 3kz4 s LYS 824 Cb -0.01 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.17 3kz4 s LYS 824 CO -0.02 -0.86 0.02 0.08 0.10 0.00 0.00 175.35 174.67 3kz4 s VAL 825 N -2.80 1.52 -0.14 1.79 1.01 -0.33 -2.66 120.40 118.79 3kz4 s VAL 825 Ca 0.29 -2.03 0.19 0.00 0.00 0.00 0.00 61.98 60.43 3kz4 s VAL 825 Cb -0.01 -2.78 -0.15 0.00 0.00 0.00 0.00 36.38 33.43 3kz4 s VAL 825 CO 0.21 -0.06 0.73 0.00 0.00 0.00 0.00 175.10 175.98 3kz4 n TYR 826 N -0.75 0.75 -1.36 5.22 9.36 -1.15 -1.58 117.16 127.65 3kz4 n TYR 826 Ca -0.04 0.24 -0.50 0.00 3.32 0.00 0.00 57.90 60.92 3kz4 n TYR 826 Cb 0.66 -0.98 -0.13 0.00 -0.63 0.00 0.00 39.34 38.25 3kz4 n TYR 826 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3kz4 n LYS 827 N -2.76 0.00 -0.94 2.98 4.81 -1.26 -4.60 118.16 116.39 3kz4 n LYS 827 Ca -0.10 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.02 3kz4 n LYS 827 Cb 0.79 -1.49 0.14 0.00 0.02 0.00 0.00 35.03 34.50 3kz4 n LYS 827 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3kz4 n GLN 828 N 7.94 -0.06 -2.43 1.64 7.27 -1.26 -4.85 117.38 125.63 3kz4 n GLN 828 Ca 0.60 0.06 -0.41 0.00 0.07 0.00 0.00 57.00 57.32 3kz4 n GLN 828 Cb -0.01 -2.42 -0.03 0.00 2.41 0.00 0.00 30.24 30.19 3kz4 n GLN 828 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3kz4 s VAL 829 N -2.31 3.78 0.41 1.69 1.01 -1.26 -4.80 120.40 118.92 3kz4 s VAL 829 Ca 0.71 1.45 -0.25 0.00 0.00 0.00 0.00 61.98 63.89 3kz4 s VAL 829 Cb -0.27 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3kz4 s VAL 829 CO 0.53 0.21 1.06 -2.65 0.00 0.00 0.00 175.10 174.25 3kz4 n PRO 830 N 2.80 1.46 -1.93 2.72 -0.02 -1.26 -4.90 135.00 133.87 3kz4 n PRO 830 Ca 0.05 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3kz4 n PRO 830 Cb 0.46 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 3kz4 n PRO 830 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kz4 s GLN 831 N -2.03 4.21 0.89 -0.52 -0.21 -1.26 -4.92 119.66 115.82 3kz4 s GLN 831 Ca 0.63 2.42 -0.12 0.00 0.02 0.00 0.00 55.36 58.31 3kz4 s GLN 831 Cb -0.55 -3.02 0.13 0.00 1.00 0.00 0.00 33.01 30.56 3kz4 s GLN 831 CO 0.57 -0.41 1.13 -0.65 -2.12 0.00 0.00 175.29 173.81 3kz4 s GLN 832 N -1.68 1.27 -0.20 2.91 -0.21 -1.26 -2.49 119.66 118.01 3kz4 s GLN 832 Ca 0.53 0.34 -0.01 0.00 0.02 0.00 0.00 55.36 56.23 3kz4 s GLN 832 Cb -0.44 -1.85 0.00 0.00 1.00 0.00 0.00 33.01 31.73 3kz4 s GLN 832 CO 0.56 -2.12 -0.12 0.12 -2.12 0.00 0.00 175.29 171.62 3kz4 s PHE 833 N -3.26 2.87 -0.18 0.91 5.36 -0.96 -4.66 117.98 118.06 3kz4 s PHE 833 Ca 0.63 -1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.35 3kz4 s PHE 833 Cb -0.15 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 3kz4 s PHE 833 CO 0.53 -0.66 -0.16 0.34 -1.46 0.00 0.00 175.22 173.82 3kz4 s ASP 834 N 1.35 3.52 0.00 6.13 -1.08 -1.26 -4.91 116.67 120.42 3kz4 s ASP 834 Ca 0.05 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 3kz4 s ASP 834 Cb -0.14 -1.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 3kz4 s ASP 834 CO -0.07 0.03 0.75 0.33 0.52 0.00 0.00 175.17 176.72 3kz4 n PHE 835 N 4.45 0.00 -0.63 -5.34 7.35 -1.26 -3.28 117.46 118.75 3kz4 n PHE 835 Ca -0.20 0.00 0.50 0.00 -0.76 0.00 0.00 57.45 56.99 3kz4 n PHE 835 Cb 0.51 -0.25 0.77 0.00 0.35 0.00 0.00 39.48 40.86 3kz4 n PHE 835 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 3kz4 h ARG 836 N 0.00 0.00 -0.00 -4.13 0.11 -1.97 1.92 114.38 110.30 3kz4 h ARG 836 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kz4 h ARG 836 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3kz4 h ARG 836 CO 0.00 0.00 -0.08 0.09 0.10 0.00 0.00 179.97 180.08 3kz4 n ASN 837 N -3.83 0.09 -0.08 0.08 3.02 -1.21 -3.58 115.26 109.76 3kz4 n ASN 837 Ca 0.41 0.31 -0.07 0.00 -0.03 0.00 0.00 54.58 55.21 3kz4 n ASN 837 Cb 1.95 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 40.63 3kz4 n ASN 837 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kz4 n SER 838 N -1.47 0.79 -4.67 6.41 2.88 0.65 -4.67 113.62 113.54 3kz4 n SER 838 Ca 0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.19 3kz4 n SER 838 Cb 0.33 1.02 -0.02 0.00 -0.75 0.00 0.00 64.21 64.78 3kz4 n SER 838 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3kz4 s MET 839 N -2.50 4.26 0.32 -1.46 -2.45 -0.88 -3.18 119.30 113.41 3kz4 s MET 839 Ca -0.08 1.78 0.09 0.00 -1.25 0.00 0.00 55.69 56.23 3kz4 s MET 839 Cb 0.06 -3.73 -0.06 0.00 1.25 0.00 0.00 34.83 32.35 3kz4 s MET 839 CO 0.71 -0.66 -0.09 -1.01 1.05 0.00 0.00 175.02 175.01 3kz4 s HIS 840 N 3.16 2.27 0.06 4.11 0.09 -1.16 -4.96 115.29 118.87 3kz4 s HIS 840 Ca 0.59 -0.54 0.03 0.00 -0.00 0.00 0.00 55.06 55.13 3kz4 s HIS 840 Cb -0.25 -1.27 -0.04 0.00 -0.00 0.00 0.00 32.58 31.01 3kz4 s HIS 840 CO 0.20 0.51 0.06 1.41 -0.00 0.00 0.00 174.74 176.92 3kz4 s MET 841 N -3.63 2.85 -0.20 1.40 1.75 -1.26 -2.45 119.30 117.76 3kz4 s MET 841 Ca 0.31 -0.67 -0.02 0.00 -1.25 0.00 0.00 55.69 54.06 3kz4 s MET 841 Cb 0.02 -2.71 -0.00 0.00 2.84 0.00 0.00 34.83 34.98 3kz4 s MET 841 CO 0.15 0.58 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.51 3kz4 s LEU 842 N -2.17 2.72 -0.80 4.11 1.43 -0.94 -4.95 118.68 118.08 3kz4 s LEU 842 Ca 0.27 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 3kz4 s LEU 842 Cb -0.12 -1.67 0.14 0.00 0.03 0.00 0.00 46.19 44.57 3kz4 s LEU 842 CO 0.19 0.00 0.93 -0.89 0.23 0.00 0.00 176.35 176.80 3kz4 s THR 843 N 1.33 4.92 0.02 5.49 2.01 -1.26 -2.72 115.64 125.43 3kz4 s THR 843 Ca 0.04 -1.53 0.08 0.00 0.31 0.00 0.00 61.69 60.58 3kz4 s THR 843 Cb -0.14 -4.63 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 3kz4 s THR 843 CO -0.04 -1.30 -0.23 -0.55 -0.69 0.00 0.00 174.62 171.81 3kz4 s SER 844 N 3.30 2.68 1.00 3.53 0.15 -0.95 -4.96 113.70 118.45 3kz4 s SER 844 Ca 0.23 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 3kz4 s SER 844 Cb -0.12 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 3kz4 s SER 844 CO -0.04 0.23 0.03 -3.20 1.20 0.00 0.00 173.24 171.46 3kz4 n ASN 845 N 2.14 -0.78 -3.58 5.45 2.85 -1.26 -2.78 115.26 117.29 3kz4 n ASN 845 Ca -0.16 -0.63 -0.11 0.00 -0.11 0.00 0.00 54.58 53.57 3kz4 n ASN 845 Cb 0.53 -0.02 -0.11 0.00 1.24 0.00 0.00 39.78 41.42 3kz4 n ASN 845 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3kz4 s LEU 846 N 0.00 -0.50 -0.43 1.20 2.96 -0.61 -4.24 118.68 117.06 3kz4 s LEU 846 Ca 0.02 0.63 -0.22 0.00 -0.22 0.00 0.00 54.13 54.34 3kz4 s LEU 846 Cb -0.00 1.04 0.03 0.00 0.50 0.00 0.00 46.19 47.76 3kz4 s LEU 846 CO 0.01 -0.25 0.60 0.41 -1.32 0.00 0.00 176.35 175.80 3kz4 n THR 847 N 5.37 -9.24 -0.21 3.68 -1.04 -1.26 -4.83 114.28 106.75 3kz4 n THR 847 Ca -0.07 0.71 0.00 0.00 -2.04 0.00 0.00 64.05 62.65 3kz4 n THR 847 Cb 0.50 -6.31 0.00 0.00 -1.82 0.00 0.00 70.33 62.69 3kz4 n THR 847 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3kz4 n PHE 848 N -0.24 0.00 0.00 -1.42 3.01 -1.26 -4.98 117.46 112.57 3kz4 n PHE 848 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3kz4 n PHE 848 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3kz4 n PHE 848 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3kz4 n THR 849 N 0.00 0.00 -2.97 4.37 -1.04 -1.26 -5.03 114.28 108.35 3kz4 n THR 849 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3kz4 n THR 849 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3kz4 n THR 849 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kz4 s VAL 850 N 0.00 4.87 -0.04 12.58 1.01 -1.26 -3.63 120.40 133.93 3kz4 s VAL 850 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 61.98 63.67 3kz4 s VAL 850 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3kz4 s VAL 850 CO 0.00 0.29 -0.25 -0.31 0.00 0.00 0.00 175.10 174.83 3kz4 s TYR 851 N 0.42 2.39 0.48 5.22 1.51 -0.86 -5.03 117.35 121.49 3kz4 s TYR 851 Ca 0.40 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3kz4 s TYR 851 Cb -0.19 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3kz4 s TYR 851 CO 0.22 -0.10 0.04 -1.12 -1.11 0.00 0.00 175.55 173.48 3kz4 s SER 852 N -0.43 3.71 0.00 2.29 0.01 -1.26 -4.59 113.70 113.43 3kz4 s SER 852 Ca 0.04 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.63 3kz4 s SER 852 Cb -0.12 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3kz4 s SER 852 CO 0.01 -0.89 0.00 -0.67 0.41 0.00 0.00 173.24 172.10 3kz4 n ASP 853 N -1.30 0.00 0.00 2.44 2.03 -1.26 -4.85 116.55 113.61 3kz4 n ASP 853 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 3kz4 n ASP 853 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 3kz4 n ASP 853 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3kz4 n LEU 854 N 0.00 0.00 0.00 -2.67 0.00 -1.26 -4.84 117.00 108.23 3kz4 n LEU 854 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3kz4 n LEU 854 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3kz4 n LEU 854 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 3kz4 n LEU 855 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -3.80 117.00 114.74 3kz4 n LEU 855 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kz4 n LEU 855 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kz4 n LEU 855 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3kz4 n ALA 856 N 2.05 0.00 0.00 -1.18 0.00 -1.26 -0.06 120.51 120.06 3kz4 n ALA 856 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz4 n ALA 856 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 856 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kz4 n PHE 857 N 0.00 0.00 -2.85 0.00 3.01 -1.25 -4.40 117.46 111.97 3kz4 n PHE 857 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3kz4 n PHE 857 Cb 0.00 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.34 3kz4 n PHE 857 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kz4 s VAL 858 N -2.01 4.34 -0.19 -4.37 1.01 0.91 -4.48 120.40 115.62 3kz4 s VAL 858 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 3kz4 s VAL 858 Cb 0.00 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 3kz4 s VAL 858 CO 0.00 -1.33 0.88 -0.44 0.00 0.00 0.00 175.10 174.22 3kz4 s SER 859 N 3.35 6.98 -0.22 3.32 0.01 -1.08 -5.00 113.70 121.06 3kz4 s SER 859 Ca 0.25 1.21 -0.11 0.00 1.31 0.00 0.00 55.95 58.62 3kz4 s SER 859 Cb -0.15 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.68 3kz4 s SER 859 CO 0.14 -0.48 0.51 0.00 0.41 0.00 0.00 173.24 173.82 3kz4 s ALA 860 N 2.48 -1.39 0.00 1.44 0.00 -1.26 -1.93 121.76 121.10 3kz4 s ALA 860 Ca 0.39 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.21 3kz4 s ALA 860 Cb -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3kz4 s ALA 860 CO 0.11 -0.45 0.00 -0.25 0.00 0.00 0.00 175.76 175.17 3kz4 n ASP 861 N 4.60 0.57 -3.64 0.00 8.00 -1.23 -4.96 116.55 119.89 3kz4 n ASP 861 Ca -0.19 -0.28 -0.14 0.00 0.71 0.00 0.00 54.79 54.89 3kz4 n ASP 861 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 3kz4 n ASP 861 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kz4 s THR 862 N 1.36 0.00 1.25 -3.53 2.01 -1.26 -3.40 115.64 112.07 3kz4 s THR 862 Ca 0.00 -0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 3kz4 s THR 862 Cb 0.00 -0.94 0.27 0.00 0.01 0.00 0.00 72.50 71.85 3kz4 s THR 862 CO 0.00 -0.00 0.67 0.52 -0.69 0.00 0.00 174.62 175.11 3kz4 n VAL 863 N 2.61 0.00 -3.13 3.82 0.31 -1.19 -4.92 118.33 115.82 3kz4 n VAL 863 Ca -0.14 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.56 3kz4 n VAL 863 Cb 0.55 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.59 3kz4 n VAL 863 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3kz4 s GLU 864 N -4.28 4.31 0.20 5.55 2.02 -1.26 -4.94 118.70 120.30 3kz4 s GLU 864 Ca 0.61 0.68 0.12 0.00 0.02 0.00 0.00 54.97 56.40 3kz4 s GLU 864 Cb -0.16 -3.51 0.73 0.00 0.10 0.00 0.00 34.13 31.30 3kz4 s GLU 864 CO 0.58 -0.06 0.84 -0.35 0.02 0.00 0.00 175.26 176.29 3kz4 n PRO 865 N 4.36 -0.03 0.02 0.39 -0.04 -1.26 0.32 135.00 138.75 3kz4 n PRO 865 Ca -0.02 0.72 0.03 0.00 -0.04 0.00 0.00 63.50 64.19 3kz4 n PRO 865 Cb 0.51 -1.32 0.13 0.00 -0.04 0.00 0.00 33.50 32.78 3kz4 n PRO 865 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kz4 n ILE 866 N -4.13 1.66 -3.14 0.52 5.41 -1.26 -3.22 119.36 115.20 3kz4 n ILE 866 Ca 0.20 0.45 -0.28 0.00 1.00 0.00 0.00 62.75 64.12 3kz4 n ILE 866 Cb 0.71 -1.39 -0.05 0.00 -0.71 0.00 0.00 39.64 38.19 3kz4 n ILE 866 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kz4 n ASN 867 N -1.58 4.37 -4.94 4.38 3.02 0.15 -5.03 115.26 115.63 3kz4 n ASN 867 Ca 0.01 -3.58 -0.25 0.00 -0.03 0.00 0.00 54.58 50.74 3kz4 n ASN 867 Cb 0.05 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 3kz4 n ASN 867 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 s ALA 868 N -3.06 3.85 -0.19 5.41 0.00 -1.20 -4.83 121.76 121.74 3kz4 s ALA 868 Ca 0.44 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 3kz4 s ALA 868 Cb 0.21 -1.92 0.05 0.00 0.00 0.00 0.00 23.12 21.47 3kz4 s ALA 868 CO -0.07 0.30 0.50 0.08 0.00 0.00 0.00 175.76 176.56 3kz4 s VAL 869 N -1.98 -0.00 0.44 0.00 1.01 -1.26 -0.97 120.40 117.64 3kz4 s VAL 869 Ca 0.37 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3kz4 s VAL 869 Cb -0.10 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.65 3kz4 s VAL 869 CO 0.30 0.01 0.60 0.00 0.00 0.00 0.00 175.10 176.01 3kz4 n ALA 870 N 3.16 0.51 0.08 5.51 0.00 -1.26 -4.77 120.51 123.74 3kz4 n ALA 870 Ca -0.16 -1.37 0.19 0.00 0.00 0.00 0.00 53.44 52.11 3kz4 n ALA 870 Cb 0.56 0.31 0.60 0.00 0.00 0.00 0.00 19.45 20.92 3kz4 n ALA 870 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kz4 h PHE 871 N -0.21 0.00 -0.33 0.00 -5.15 -1.99 0.28 116.94 109.54 3kz4 h PHE 871 Ca -0.20 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.64 3kz4 h PHE 871 Cb 0.83 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.92 3kz4 h PHE 871 CO 0.00 0.00 -0.25 0.22 -2.00 0.00 0.00 178.31 176.28 3kz4 h ASP 872 N 0.00 -0.81 0.00 -0.68 3.58 -1.98 -3.47 116.42 113.07 3kz4 h ASP 872 Ca 0.22 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.82 3kz4 h ASP 872 Cb 1.59 0.40 0.00 0.00 1.72 0.00 0.00 39.33 43.04 3kz4 h ASP 872 CO -0.00 -0.27 0.00 -3.20 -2.88 0.00 0.00 179.24 172.88 3kz4 n ASN 873 N -5.39 0.00 0.01 2.28 5.15 1.00 -4.85 115.26 113.46 3kz4 n ASN 873 Ca 0.01 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.80 3kz4 n ASN 873 Cb 0.30 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.46 3kz4 n ASN 873 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 3kz4 h MET 874 N 2.18 0.72 0.00 1.20 4.05 -1.90 -3.48 114.93 117.70 3kz4 h MET 874 Ca 0.00 -0.68 0.00 0.00 -0.28 0.00 0.00 59.70 58.74 3kz4 h MET 874 Cb 0.00 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3kz4 h MET 874 CO 0.00 1.27 0.00 -2.13 0.23 0.00 0.00 176.91 176.28 3kz4 n ARG 875 N -3.93 0.00 -3.84 0.39 0.63 -1.26 -5.02 116.66 103.63 3kz4 n ARG 875 Ca -0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.51 3kz4 n ARG 875 Cb 0.80 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.66 3kz4 n ARG 875 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3kz4 s ILE 876 N -0.84 5.35 -0.46 5.15 -4.36 -0.14 -4.53 121.20 121.37 3kz4 s ILE 876 Ca 0.00 -0.09 -0.16 0.00 -0.26 0.00 0.00 60.65 60.14 3kz4 s ILE 876 Cb 0.00 -3.58 0.02 0.00 1.25 0.00 0.00 42.46 40.15 3kz4 s ILE 876 CO 0.00 0.26 0.61 0.80 0.24 0.00 0.00 174.94 176.85 3kz4 n MET 877 N 0.74 -2.27 -0.02 0.37 0.00 -1.26 -4.31 117.12 110.36 3kz4 n MET 877 Ca -0.09 2.03 0.03 0.00 0.00 0.00 0.00 57.70 59.67 3kz4 n MET 877 Cb 0.52 -5.48 0.04 0.00 0.00 0.00 0.00 33.22 28.30 3kz4 n MET 877 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3kz4 n ASN 878 N -0.43 1.98 -4.18 6.12 2.85 -1.26 -4.85 115.26 115.49 3kz4 n ASN 878 Ca 0.10 -2.24 -0.44 0.00 -0.11 0.00 0.00 54.58 51.89 3kz4 n ASN 878 Cb 0.48 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.39 3kz4 n ASN 878 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3kz4 n GLU 879 N -0.71 3.72 0.00 1.20 4.07 -1.26 -5.16 120.64 122.49 3kz4 n GLU 879 Ca 0.04 -4.06 0.00 0.00 -0.06 0.00 0.00 57.16 53.08 3kz4 n GLU 879 Cb 0.36 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 3kz4 n GLU 879 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35