#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdr s VAL 47 N 0.00 4.82 0.00 0.00 1.01 -1.26 -4.84 120.40 120.13 3kdr s VAL 47 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3kdr s VAL 47 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3kdr s VAL 47 CO 0.00 -0.59 0.13 0.35 0.00 0.00 0.00 175.10 174.99 3kdr n THR 48 N 5.85 0.00 -4.43 3.92 -2.24 -1.26 -4.67 114.28 111.45 3kdr n THR 48 Ca -0.01 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3kdr n THR 48 Cb 0.48 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 3kdr n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdr s THR 49 N -0.50 2.13 0.18 4.28 -4.23 -1.26 -4.99 115.64 111.25 3kdr s THR 49 Ca 0.00 -2.30 -0.12 0.00 -1.18 0.00 0.00 61.69 58.09 3kdr s THR 49 Cb 0.00 -2.25 0.09 0.00 1.34 0.00 0.00 72.50 71.68 3kdr s THR 49 CO 0.00 -0.45 1.75 -0.09 -0.54 0.00 0.00 174.62 175.29 3kdr h ARG 50 N 2.35 0.91 -0.63 3.99 2.43 -1.98 -1.88 114.38 119.57 3kdr h ARG 50 Ca -0.39 -0.15 0.11 0.00 -0.81 0.00 0.00 59.98 58.74 3kdr h ARG 50 Cb 1.24 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 3kdr h ARG 50 CO 0.62 0.75 0.18 0.00 -1.51 0.00 0.00 179.97 180.01 3kdr h ALA 51 N 1.11 0.78 -0.20 2.80 0.00 -1.98 -0.06 119.26 121.71 3kdr h ALA 51 Ca 0.21 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 3kdr h ALA 51 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kdr h ALA 51 CO -0.02 -0.27 -0.52 0.93 0.00 0.00 0.00 179.25 179.37 3kdr h GLU 52 N 0.32 0.58 -0.41 0.00 5.08 -1.90 -2.88 114.58 115.36 3kdr h GLU 52 Ca 0.33 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kdr h GLU 52 Cb 0.48 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3kdr h GLU 52 CO -0.39 0.96 0.16 0.00 -1.00 0.00 0.00 179.01 178.74 3kdr h ALA 53 N 0.98 1.51 -0.01 3.43 0.00 -0.25 -2.41 119.26 122.51 3kdr h ALA 53 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kdr h ALA 53 Cb 1.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kdr h ALA 53 CO 0.10 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.01 3kdr n LEU 54 N -4.37 0.58 -0.30 0.00 4.77 -0.38 -1.47 117.00 115.83 3kdr n LEU 54 Ca 0.03 -0.19 0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3kdr n LEU 54 Cb 0.15 -0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.65 3kdr n LEU 54 CO 0.37 0.10 0.70 0.35 -1.33 0.00 0.00 177.39 177.58 3kdr n THR 55 N -0.54 0.00 -3.04 -5.08 -2.24 -0.91 -4.56 114.28 97.91 3kdr n THR 55 Ca 0.22 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3kdr n THR 55 Cb 0.20 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 3kdr n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdr s ILE 56 N -2.39 4.80 0.29 2.28 1.01 -0.54 -4.97 121.20 121.67 3kdr s ILE 56 Ca 0.27 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.53 3kdr s ILE 56 Cb 0.20 -4.17 0.28 0.00 0.01 0.00 0.00 42.46 38.78 3kdr s ILE 56 CO 0.48 -0.45 1.79 -0.65 0.00 0.00 0.00 174.94 176.11 3kdr h PRO 57 N 8.60 0.77 -0.33 2.79 0.11 -1.87 0.34 132.00 142.41 3kdr h PRO 57 Ca -0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3kdr h PRO 57 Cb 1.10 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3kdr h PRO 57 CO 0.88 0.51 0.12 0.00 -0.21 0.00 0.00 178.00 179.30 3kdr h ALA 58 N 1.59 1.59 -0.22 -0.75 0.00 -1.94 0.24 119.26 119.78 3kdr h ALA 58 Ca 0.52 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 3kdr h ALA 58 Cb 0.71 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kdr h ALA 58 CO -0.34 0.32 -0.16 0.28 0.00 0.00 0.00 179.25 179.35 3kdr h VAL 59 N 0.47 1.32 -0.16 0.00 2.07 -0.63 -1.17 116.25 118.15 3kdr h VAL 59 Ca 0.12 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 3kdr h VAL 59 Cb 0.12 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3kdr h VAL 59 CO -0.01 0.39 0.09 0.25 0.02 0.00 0.00 177.57 178.31 3kdr h LEU 60 N 0.18 0.19 -0.62 2.57 5.85 -0.41 0.69 115.31 123.76 3kdr h LEU 60 Ca 0.04 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3kdr h LEU 60 Cb 0.68 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3kdr h LEU 60 CO 0.04 0.21 0.32 -0.09 -0.34 0.00 0.00 178.44 178.58 3kdr h ARG 61 N 0.16 0.89 -0.68 1.25 9.65 -0.47 0.34 114.38 125.52 3kdr h ARG 61 Ca 0.06 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 3kdr h ARG 61 Cb 0.06 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 3kdr h ARG 61 CO -0.01 0.70 0.16 0.00 2.80 0.00 0.00 179.97 183.62 3kdr h ALA 62 N 1.14 0.89 -0.03 2.80 0.00 -0.87 -2.33 119.26 120.87 3kdr h ALA 62 Ca 0.22 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3kdr h ALA 62 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kdr h ALA 62 CO -0.03 0.62 -0.50 -0.09 0.00 0.00 0.00 179.25 179.25 3kdr h ARG 63 N 1.02 0.08 -0.22 0.00 1.12 0.11 -1.87 114.38 114.61 3kdr h ARG 63 Ca 0.21 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.97 3kdr h ARG 63 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 3kdr h ARG 63 CO 0.00 0.57 -0.12 -0.91 -3.11 0.00 0.00 179.97 176.40 3kdr h ASN 64 N 0.06 0.49 -0.66 -3.80 -0.26 -0.46 -0.83 115.58 110.13 3kdr h ASN 64 Ca -0.00 -0.42 -0.03 0.00 -0.56 0.00 0.00 56.30 55.29 3kdr h ASN 64 Cb 0.92 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.01 3kdr h ASN 64 CO 0.07 0.80 0.29 -0.07 -1.06 0.00 0.00 177.43 177.47 3kdr h LEU 65 N 0.18 0.90 0.11 1.61 3.38 -1.21 -1.29 115.31 119.00 3kdr h LEU 65 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kdr h LEU 65 Cb 0.62 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kdr h LEU 65 CO 0.04 0.79 -0.05 -0.07 0.09 0.00 0.00 178.44 179.23 3kdr h LEU 66 N 0.97 -0.13 -0.06 1.67 3.38 -1.27 -3.23 115.31 116.65 3kdr h LEU 66 Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3kdr h LEU 66 Cb 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kdr h LEU 66 CO -0.02 0.06 -0.01 0.28 0.09 0.00 0.00 178.44 178.84 3kdr h SER 67 N -0.45 -0.04 -0.18 -0.43 0.02 -1.17 -1.95 113.55 109.35 3kdr h SER 67 Ca -0.02 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kdr h SER 67 Cb 0.11 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3kdr h SER 67 CO 0.02 -0.01 0.11 0.71 -1.14 0.00 0.00 176.83 176.52 3kdr h THR 68 N 0.01 1.06 -0.24 -2.27 1.35 -1.37 -1.42 112.91 110.02 3kdr h THR 68 Ca 0.03 -0.15 -0.18 0.00 -0.55 0.00 0.00 66.41 65.56 3kdr h THR 68 Cb 0.04 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3kdr h THR 68 CO -0.05 0.07 -0.54 0.74 -0.25 0.00 0.00 175.52 175.48 3kdr h THR 69 N 0.26 1.29 -0.01 6.82 2.02 -1.45 -1.91 112.91 119.93 3kdr h THR 69 Ca 0.07 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3kdr h THR 69 Cb 0.00 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3kdr h THR 69 CO -0.01 0.56 0.00 0.58 0.37 0.00 0.00 175.52 177.02 3kdr h VAL 70 N 0.54 1.01 -0.90 3.16 2.07 -0.86 -3.06 116.25 118.22 3kdr h VAL 70 Ca 0.00 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.65 3kdr h VAL 70 Cb 1.15 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 3kdr h VAL 70 CO 0.12 0.01 0.58 0.00 0.02 0.00 0.00 177.57 178.30 3kdr h ALA 71 N 0.99 1.92 0.00 1.67 0.00 -1.03 -0.45 119.26 122.35 3kdr h ALA 71 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kdr h ALA 71 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kdr h ALA 71 CO -0.00 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.61 3kdr n ARG 72 N -4.57 0.17 -3.61 0.00 1.74 -0.74 -4.79 116.66 104.87 3kdr n ARG 72 Ca 0.18 0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 3kdr n ARG 72 Cb 0.54 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 3kdr n ARG 72 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kdr s THR 73 N -2.82 5.33 0.39 0.55 2.01 -0.18 -4.89 115.64 116.03 3kdr s THR 73 Ca 0.19 0.45 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 3kdr s THR 73 Cb 0.19 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 3kdr s THR 73 CO 0.47 0.42 1.11 -2.84 -0.69 0.00 0.00 174.62 173.10 3kdr s PRO 74 N 0.28 4.15 -0.16 4.92 0.02 -1.26 -4.76 135.00 138.19 3kdr s PRO 74 Ca 0.15 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.69 3kdr s PRO 74 Cb -0.13 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3kdr s PRO 74 CO 0.03 -0.20 0.45 -0.51 -0.33 0.00 0.00 177.00 176.44 3kdr s LEU 75 N -2.45 4.22 0.16 -5.54 1.43 -1.26 0.07 118.68 115.31 3kdr s LEU 75 Ca 0.56 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 3kdr s LEU 75 Cb -0.27 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3kdr s LEU 75 CO 0.34 -0.05 -0.14 0.54 0.23 0.00 0.00 176.35 177.28 3kdr s VAL 76 N 0.99 1.51 -0.00 -1.59 0.11 0.11 -4.94 120.40 116.58 3kdr s VAL 76 Ca 0.23 -2.01 -0.01 0.00 -2.93 0.00 0.00 61.98 57.26 3kdr s VAL 76 Cb -0.15 -1.84 -0.00 0.00 -1.53 0.00 0.00 36.38 32.86 3kdr s VAL 76 CO 0.09 -0.55 0.02 0.00 -3.33 0.00 0.00 175.10 171.32 3kdr h ASP 78 N 5.76 0.56 0.00 0.00 5.19 -1.83 -3.44 116.42 122.66 3kdr h ASP 78 Ca -0.26 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3kdr h ASP 78 Cb 1.21 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.56 3kdr h ASP 78 CO 0.47 0.79 0.00 0.61 -3.12 0.00 0.00 179.24 177.99 3kdr n GLY 79 N -0.37 1.09 3.90 2.75 0.00 -1.26 -5.06 105.19 106.24 3kdr n GLY 79 Ca -0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 3kdr n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kdr s THR 80 N 1.16 5.32 0.24 2.61 -4.23 -1.26 -5.06 115.64 114.40 3kdr s THR 80 Ca 0.00 -0.39 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 3kdr s THR 80 Cb 0.00 -3.58 -0.10 0.00 1.34 0.00 0.00 72.50 70.17 3kdr s THR 80 CO 0.00 0.16 1.38 -0.22 -0.54 0.00 0.00 174.62 175.41 3kdr s LEU 81 N -2.42 4.40 0.20 4.79 2.96 -1.26 -4.96 118.68 122.40 3kdr s LEU 81 Ca 0.33 2.57 -0.32 0.00 -0.22 0.00 0.00 54.13 56.49 3kdr s LEU 81 Cb -0.13 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.81 3kdr s LEU 81 CO 0.26 -0.62 1.50 -2.65 -1.32 0.00 0.00 176.35 173.52 3kdr n PRO 82 N 2.34 2.14 0.28 0.98 -0.02 -1.26 -4.87 135.00 134.58 3kdr n PRO 82 Ca 0.06 0.77 0.17 0.00 -2.02 0.00 0.00 63.50 62.47 3kdr n PRO 82 Cb 0.41 -2.49 0.93 0.00 -0.02 0.00 0.00 33.50 32.34 3kdr n PRO 82 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kdr h PRO 83 N 5.09 0.00 0.00 0.52 0.11 -1.88 -1.33 132.00 134.51 3kdr h PRO 83 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kdr h PRO 83 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kdr h PRO 83 CO 0.82 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 3kdr h PHE 84 N 0.00 0.00 -0.24 0.65 -5.15 -1.67 -3.30 116.94 107.23 3kdr h PHE 84 Ca 0.03 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.78 3kdr h PHE 84 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.34 3kdr h PHE 84 CO 0.00 0.00 0.08 0.28 -2.00 0.00 0.00 178.31 176.67 3kdr h VAL 85 N 0.00 1.19 0.00 0.88 2.07 -1.58 -2.76 116.25 116.05 3kdr h VAL 85 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3kdr h VAL 85 Cb 0.64 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3kdr h VAL 85 CO 0.00 0.19 -0.18 -0.81 0.02 0.00 0.00 177.57 176.80 3kdr n PRO 86 N -4.76 0.01 -3.99 1.57 -0.04 -1.24 -4.80 135.00 121.75 3kdr n PRO 86 Ca -0.03 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.17 3kdr n PRO 86 Cb 0.15 -1.51 -0.17 0.00 -0.04 0.00 0.00 33.50 31.93 3kdr n PRO 86 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kdr s VAL 87 N -3.01 1.06 0.00 0.52 0.11 -1.04 -4.81 120.40 113.24 3kdr s VAL 87 Ca 0.13 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3kdr s VAL 87 Cb 0.18 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 3kdr s VAL 87 CO 0.59 0.37 0.00 0.00 -3.33 0.00 0.00 175.10 172.73 3kdr n ALA 88 N 4.80 0.00 -1.80 1.54 0.00 -1.26 -3.42 120.51 120.37 3kdr n ALA 88 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 3kdr n ALA 88 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3kdr n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdr s ALA 89 N -4.30 3.05 0.87 0.00 0.00 -1.01 -3.72 121.76 116.65 3kdr s ALA 89 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3kdr s ALA 89 Cb 0.00 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.04 3kdr s ALA 89 CO 0.00 -0.00 1.13 -1.25 0.00 0.00 0.00 175.76 175.63 3kdr s PRO 90 N -2.84 1.48 0.44 0.00 0.04 -1.26 -4.94 135.00 127.92 3kdr s PRO 90 Ca 0.60 0.40 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 3kdr s PRO 90 Cb -0.15 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3kdr s PRO 90 CO 0.19 -1.99 1.43 -2.14 0.04 0.00 0.00 177.00 174.53 3kdr s PRO 91 N -5.25 3.73 0.20 0.56 0.02 -1.26 -4.92 135.00 128.07 3kdr s PRO 91 Ca 0.63 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 64.00 3kdr s PRO 91 Cb -0.15 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.72 3kdr s PRO 91 CO 0.53 -0.79 0.39 0.41 -0.33 0.00 0.00 177.00 177.22 3kdr n GLY 92 N 0.57 1.56 0.00 0.52 0.00 -1.26 -5.13 105.19 101.45 3kdr n GLY 92 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3kdr n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdr n ALA 93 N -1.77 1.94 0.00 4.61 0.00 -1.26 -4.95 120.51 119.07 3kdr n ALA 93 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kdr n ALA 93 Cb 0.30 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3kdr n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdr n ALA 94 N -1.99 2.80 -2.44 0.00 0.00 -1.26 -5.29 120.51 112.33 3kdr n ALA 94 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kdr n ALA 94 Cb 0.46 0.49 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 3kdr n ALA 94 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kdr s THR 95 N -1.99 0.16 -0.34 0.00 -1.32 -1.26 -5.26 115.64 105.62 3kdr s THR 95 Ca 0.00 -1.36 -0.12 0.00 -1.21 0.00 0.00 61.69 59.00 3kdr s THR 95 Cb 0.00 -1.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.57 3kdr s THR 95 CO 0.00 -0.72 0.21 -1.58 -2.21 0.00 0.00 174.62 170.32 3kdr s GLN 97 N -3.88 3.28 0.63 7.08 0.74 -1.26 -5.02 119.66 121.23 3kdr s GLN 97 Ca 0.06 -0.78 -0.11 0.00 0.05 0.00 0.00 55.36 54.59 3kdr s GLN 97 Cb 0.06 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3kdr s GLN 97 CO -0.10 -0.50 1.03 0.95 -0.55 0.00 0.00 175.29 176.12 3kdr s THR 98 N 1.65 4.53 0.47 -0.34 -4.23 -1.26 -2.41 115.64 114.05 3kdr s THR 98 Ca 0.05 0.81 0.12 0.00 -1.18 0.00 0.00 61.69 61.49 3kdr s THR 98 Cb -0.18 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.11 3kdr s THR 98 CO 0.08 -1.07 2.10 -0.65 -0.54 0.00 0.00 174.62 174.54 3kdr h PRO 99 N -0.36 0.21 -0.15 3.99 0.11 -1.92 -0.56 132.00 133.32 3kdr h PRO 99 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kdr h PRO 99 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kdr h PRO 99 CO 0.62 0.16 0.10 0.35 -0.21 0.00 0.00 178.00 179.02 3kdr h PHE 100 N 0.21 0.20 0.00 0.65 3.57 -1.92 -2.95 116.94 116.69 3kdr h PHE 100 Ca 0.06 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3kdr h PHE 100 Cb 0.02 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3kdr h PHE 100 CO 0.00 0.15 -0.20 0.45 -2.23 0.00 0.00 178.31 176.49 3kdr h HIS 101 N 0.19 0.00 0.00 0.41 3.86 -1.51 -0.57 115.15 117.53 3kdr h HIS 101 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3kdr h HIS 101 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3kdr h HIS 101 CO -0.06 0.20 0.00 -2.13 0.86 0.00 0.00 177.93 176.80 3kdr n ARG 102 N -3.44 0.48 0.00 2.45 0.63 -0.60 -0.79 116.66 115.39 3kdr n ARG 102 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kdr n ARG 102 Cb 0.38 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.06 3kdr n ARG 102 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kdr n LEU 104 N 0.24 0.00 -0.19 6.15 7.94 -0.22 -0.82 117.00 130.10 3kdr n LEU 104 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3kdr n LEU 104 Cb 0.12 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.09 3kdr n LEU 104 CO 0.00 0.00 0.76 0.00 -1.11 0.00 0.00 177.39 177.04 3kdr h ALA 105 N 0.00 0.79 -0.46 1.96 0.00 -1.21 -2.23 119.26 118.11 3kdr h ALA 105 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3kdr h ALA 105 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kdr h ALA 105 CO 0.00 0.67 0.12 1.15 0.00 0.00 0.00 179.25 181.19 3kdr h THR 106 N 0.93 1.23 -0.55 0.00 2.02 -1.20 -1.73 112.91 113.60 3kdr h THR 106 Ca 0.15 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.56 3kdr h THR 106 Cb 0.65 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3kdr h THR 106 CO 0.05 0.29 0.32 0.00 0.37 0.00 0.00 175.52 176.54 3kdr h ALA 107 N 0.98 0.72 -0.86 6.16 0.00 -1.76 -1.49 119.26 123.01 3kdr h ALA 107 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kdr h ALA 107 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kdr h ALA 107 CO 0.00 0.01 0.43 -0.44 0.00 0.00 0.00 179.25 179.25 3kdr h ASP 108 N 0.62 1.12 -0.57 0.00 3.32 -1.21 0.15 116.42 119.83 3kdr h ASP 108 Ca 0.23 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3kdr h ASP 108 Cb 0.08 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3kdr h ASP 108 CO -0.13 0.93 0.11 0.44 -1.72 0.00 0.00 179.24 178.87 3kdr h ASP 109 N 1.22 0.89 -0.38 6.45 5.19 -0.84 0.50 116.42 129.45 3kdr h ASP 109 Ca 0.30 -0.25 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 3kdr h ASP 109 Cb 0.10 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 3kdr h ASP 109 CO -0.04 0.91 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.71 3kdr h LEU 110 N 0.83 0.84 -0.23 1.55 3.38 -0.86 0.34 115.31 121.16 3kdr h LEU 110 Ca 0.18 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3kdr h LEU 110 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kdr h LEU 110 CO 0.01 1.07 -0.02 0.25 0.09 0.00 0.00 178.44 179.84 3kdr h LEU 111 N 0.61 0.42 0.10 1.67 5.85 -0.72 0.13 115.31 123.37 3kdr h LEU 111 Ca 0.08 -0.33 -0.30 0.00 0.84 0.00 0.00 57.88 58.17 3kdr h LEU 111 Cb 0.76 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3kdr h LEU 111 CO 0.06 0.65 -1.54 -0.26 -0.34 0.00 0.00 178.44 177.01 3kdr h PHE 112 N 0.18 0.39 -0.00 1.25 0.04 -0.90 -0.74 116.94 117.15 3kdr h PHE 112 Ca 0.06 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.55 3kdr h PHE 112 Cb 0.45 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3kdr h PHE 112 CO 0.04 1.34 -0.14 0.09 -0.60 0.00 0.00 178.31 179.05 3kdr n ASN 113 N -3.41 0.65 0.00 2.17 3.02 0.07 -1.38 115.26 116.38 3kdr n ASN 113 Ca -0.16 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3kdr n ASN 113 Cb 1.04 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 3kdr n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdr n GLY 114 N 0.81 1.72 3.33 7.41 0.00 0.44 -4.24 105.19 114.67 3kdr n GLY 114 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3kdr n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kdr s VAL 115 N -3.44 0.08 0.05 1.61 -7.23 -1.24 -0.16 120.40 110.07 3kdr s VAL 115 Ca 0.00 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 3kdr s VAL 115 Cb 0.00 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.57 3kdr s VAL 115 CO 0.00 -0.36 0.69 0.00 -0.31 0.00 0.00 175.10 175.12 3kdr s ALA 116 N -3.87 -1.70 0.00 1.32 0.00 -0.80 -3.90 121.76 112.81 3kdr s ALA 116 Ca 0.08 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.96 3kdr s ALA 116 Cb 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3kdr s ALA 116 CO -0.07 -0.60 -0.08 0.00 0.00 0.00 0.00 175.76 175.00 3kdr s TRP 118 N -0.36 2.55 -0.32 0.00 0.52 0.75 -2.46 118.94 119.63 3kdr s TRP 118 Ca 0.01 -0.27 -0.20 0.00 0.02 0.00 0.00 56.10 55.67 3kdr s TRP 118 Cb -0.04 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 3kdr s TRP 118 CO -0.00 0.10 0.60 0.00 0.02 0.00 0.00 176.95 177.67 3kdr s ALA 119 N -0.69 3.51 0.16 0.98 0.00 0.11 -0.73 121.76 125.10 3kdr s ALA 119 Ca 0.11 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 3kdr s ALA 119 Cb -0.10 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 3kdr s ALA 119 CO 0.00 -1.11 0.69 -0.51 0.00 0.00 0.00 175.76 174.83 3kdr s LEU 120 N 2.56 4.48 -0.27 0.00 1.43 -0.30 -2.03 118.68 124.55 3kdr s LEU 120 Ca 0.23 1.44 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 3kdr s LEU 120 Cb -0.15 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 3kdr s LEU 120 CO 0.12 0.17 0.11 -0.62 0.23 0.00 0.00 176.35 176.37 3kdr s ASP 121 N -1.33 5.42 0.02 2.29 2.15 0.22 -4.83 116.67 120.61 3kdr s ASP 121 Ca 0.36 -0.22 0.06 0.00 0.43 0.00 0.00 52.55 53.18 3kdr s ASP 121 Cb -0.20 -1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 3kdr s ASP 121 CO 0.22 -0.07 -0.15 -0.13 -0.17 0.00 0.00 175.17 174.87 3kdr s ARG 122 N 1.65 2.24 0.83 4.34 0.52 -1.26 -0.42 118.95 126.84 3kdr s ARG 122 Ca 0.06 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 3kdr s ARG 122 Cb -0.16 -2.28 0.12 0.00 0.52 0.00 0.00 34.95 33.16 3kdr s ARG 122 CO 0.06 0.57 1.17 0.16 0.02 0.00 0.00 175.30 177.27 3kdr s ASP 123 N -1.31 4.10 0.57 0.23 1.47 -0.35 -4.87 116.67 116.50 3kdr s ASP 123 Ca 0.15 0.42 0.28 0.00 1.18 0.00 0.00 52.55 54.58 3kdr s ASP 123 Cb -0.11 -0.79 1.71 0.00 -0.34 0.00 0.00 42.92 43.39 3kdr s ASP 123 CO 0.05 -2.11 2.22 1.05 0.68 0.00 0.00 175.17 177.06 3kdr h GLU 124 N -1.09 0.00 0.00 2.11 -0.00 -2.00 0.44 114.58 114.04 3kdr h GLU 124 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 3kdr h GLU 124 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 3kdr h GLU 124 CO 0.53 0.02 0.00 0.45 -0.00 0.00 0.00 179.01 180.01 3kdr n SER 125 N -3.89 0.37 -0.16 3.06 2.88 -1.26 -4.93 113.62 109.70 3kdr n SER 125 Ca -0.03 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 3kdr n SER 125 Cb 0.11 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 3kdr n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdr n GLY 126 N 0.47 0.67 3.53 0.46 0.00 0.15 -5.08 105.19 105.40 3kdr n GLY 126 Ca 0.04 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3kdr n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kdr s THR 127 N -2.32 3.19 -0.20 2.61 -4.23 -1.26 -4.86 115.64 108.58 3kdr s THR 127 Ca 0.00 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 3kdr s THR 127 Cb 0.00 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 3kdr s THR 127 CO 0.00 0.27 1.47 0.00 -0.54 0.00 0.00 174.62 175.82 3kdr n ILE 129 N 5.96 0.10 -3.55 0.00 -6.64 0.44 -3.78 119.36 111.89 3kdr n ILE 129 Ca 0.16 -0.55 -0.13 0.00 -1.77 0.00 0.00 62.75 60.47 3kdr n ILE 129 Cb 0.45 1.18 -0.05 0.00 -1.44 0.00 0.00 39.64 39.78 3kdr n ILE 129 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3kdr s GLY 130 N -1.00 -0.39 -0.10 3.28 0.00 -1.16 -3.87 107.32 104.07 3kdr s GLY 130 Ca 0.15 1.68 -0.08 0.00 0.00 0.00 0.00 44.72 46.47 3kdr s GLY 130 CO 0.15 0.94 0.26 0.00 0.00 0.00 0.00 173.10 174.45 3kdr s ALA 131 N -1.34 -0.64 -0.06 3.20 0.00 -1.22 0.69 121.76 122.39 3kdr s ALA 131 Ca -0.04 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.77 3kdr s ALA 131 Cb -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3kdr s ALA 131 CO 0.03 -0.14 -0.19 0.42 0.00 0.00 0.00 175.76 175.88 3kdr s ILE 132 N 0.42 1.60 0.26 0.00 1.01 -0.86 -4.22 121.20 119.40 3kdr s ILE 132 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3kdr s ILE 132 Cb -0.04 -1.39 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 3kdr s ILE 132 CO -0.02 0.46 1.04 -2.28 0.00 0.00 0.00 174.94 174.14 3kdr s HIS 133 N 0.18 3.73 0.09 3.97 5.65 -1.26 0.05 115.29 127.70 3kdr s HIS 133 Ca -0.09 1.78 0.09 0.00 0.25 0.00 0.00 55.06 57.09 3kdr s HIS 133 Cb -0.14 -3.17 -0.03 0.00 -1.18 0.00 0.00 32.58 28.06 3kdr s HIS 133 CO 0.04 -0.17 -0.24 0.96 -0.65 0.00 0.00 174.74 174.68 3kdr s ILE 134 N -1.11 1.96 0.57 0.89 -4.36 -1.03 -4.88 121.20 113.23 3kdr s ILE 134 Ca 0.43 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 59.11 3kdr s ILE 134 Cb -0.30 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3kdr s ILE 134 CO 0.37 0.10 1.12 -2.84 0.24 0.00 0.00 174.94 173.93 3kdr s PRO 135 N -1.73 3.23 0.17 0.37 0.02 -1.26 -4.59 135.00 131.21 3kdr s PRO 135 Ca 0.10 1.52 -0.07 0.00 0.02 0.00 0.00 61.00 62.57 3kdr s PRO 135 Cb -0.10 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.49 3kdr s PRO 135 CO 0.04 -0.93 1.53 -0.07 -0.33 0.00 0.00 177.00 177.24 3kdr h LEU 136 N 0.87 0.87 0.00 -5.54 3.38 -1.97 -1.32 115.31 111.60 3kdr h LEU 136 Ca -0.49 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3kdr h LEU 136 Cb 1.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kdr h LEU 136 CO 0.56 1.14 0.00 -0.90 0.09 0.00 0.00 178.44 179.33 3kdr n ASP 137 N -4.06 0.00 -0.44 -0.43 5.75 -1.26 -2.12 116.55 113.99 3kdr n ASP 137 Ca -0.02 -0.25 0.05 0.00 -0.01 0.00 0.00 54.79 54.56 3kdr n ASP 137 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 3kdr n ASP 137 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3kdr n THR 138 N -0.85 0.09 -3.94 2.12 -2.24 -0.50 -4.93 114.28 104.04 3kdr n THR 138 Ca 0.03 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 3kdr n THR 138 Cb 0.01 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 3kdr n THR 138 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3kdr s TRP 139 N -0.90 0.20 0.13 4.78 1.48 -0.90 -0.21 118.94 123.53 3kdr s TRP 139 Ca 0.13 -0.48 -0.09 0.00 -1.06 0.00 0.00 56.10 54.60 3kdr s TRP 139 Cb 0.09 -0.15 -0.00 0.00 -1.16 0.00 0.00 33.47 32.25 3kdr s TRP 139 CO 0.14 -0.32 0.25 -0.65 -4.06 0.00 0.00 176.95 172.31 3kdr s GLN 140 N -2.27 1.03 -0.50 3.25 -0.21 -0.76 -4.92 119.66 115.28 3kdr s GLN 140 Ca -0.08 -1.07 0.03 0.00 0.02 0.00 0.00 55.36 54.26 3kdr s GLN 140 Cb -0.03 0.37 0.14 0.00 1.00 0.00 0.00 33.01 34.48 3kdr s GLN 140 CO -0.03 -0.36 0.28 -1.50 -2.12 0.00 0.00 175.29 171.56 3kdr s ILE 141 N -3.92 1.98 -0.00 1.08 2.07 -1.26 -1.68 121.20 119.47 3kdr s ILE 141 Ca 0.12 -3.04 -0.23 0.00 -1.41 0.00 0.00 60.65 56.09 3kdr s ILE 141 Cb 0.04 -2.37 -0.13 0.00 0.13 0.00 0.00 42.46 40.13 3kdr s ILE 141 CO -0.05 -0.88 0.94 1.05 -1.91 0.00 0.00 174.94 174.09 3kdr h GLU 142 N 6.45 -0.79 0.00 3.50 -0.00 -1.73 -3.47 114.58 118.54 3kdr h GLU 142 Ca -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 3kdr h GLU 142 Cb 0.89 0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 3kdr h GLU 142 CO 0.58 -0.52 0.00 0.39 -0.00 0.00 0.00 179.01 179.46 3kdr n GLU 143 N -5.32 0.00 -0.89 1.06 1.02 -1.26 -4.86 120.64 110.39 3kdr n GLU 143 Ca -0.10 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.10 3kdr n GLU 143 Cb 0.32 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 32.13 3kdr n GLU 143 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kdr n ASN 144 N 0.00 5.57 -4.40 1.62 0.23 -1.26 -5.00 115.26 112.01 3kdr n ASN 144 Ca 0.00 -2.98 -0.32 0.00 -0.53 0.00 0.00 54.58 50.76 3kdr n ASN 144 Cb 0.00 -0.69 -0.14 0.00 -2.08 0.00 0.00 39.78 36.87 3kdr n ASN 144 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3kdr s THR 145 N -2.81 2.59 -0.10 5.53 -4.23 -1.26 -5.05 115.64 110.31 3kdr s THR 145 Ca 0.54 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3kdr s THR 145 Cb 0.42 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 3kdr s THR 145 CO 0.15 0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.02 3kdr s VAL 146 N -0.68 3.42 -0.05 2.29 1.01 -1.26 -1.73 120.40 123.40 3kdr s VAL 146 Ca 0.11 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kdr s VAL 146 Cb -0.10 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3kdr s VAL 146 CO -0.00 0.55 -0.14 -0.13 0.00 0.00 0.00 175.10 175.38 3kdr s ARG 147 N -0.16 1.58 -0.11 2.72 0.52 -0.67 -1.55 118.95 121.28 3kdr s ARG 147 Ca 0.01 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 3kdr s ARG 147 Cb -0.13 -1.36 -0.01 0.00 0.52 0.00 0.00 34.95 33.97 3kdr s ARG 147 CO 0.03 0.15 -0.19 0.14 0.02 0.00 0.00 175.30 175.44 3kdr s VAL 148 N 0.27 2.52 0.00 3.52 -7.23 -0.48 -1.83 120.40 117.17 3kdr s VAL 148 Ca -0.07 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3kdr s VAL 148 Cb -0.12 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3kdr s VAL 148 CO 0.02 0.55 0.00 0.59 -0.31 0.00 0.00 175.10 175.95 3kdr n ASN 149 N 3.40 0.00 -0.00 4.85 3.02 0.71 -2.84 115.26 124.40 3kdr n ASN 149 Ca -0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.24 3kdr n ASN 149 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 3kdr n ASN 149 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kdr h GLY 150 N 0.00 -0.03 -3.37 7.41 0.00 -1.91 -3.47 103.07 101.71 3kdr h GLY 150 Ca 0.00 0.01 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 3kdr h GLY 150 CO 0.00 -0.01 0.58 -1.59 0.00 0.00 0.00 176.54 175.52 3kdr s LYS 151 N -4.25 4.04 0.78 4.80 0.00 -1.13 -4.86 119.74 119.12 3kdr s LYS 151 Ca -0.16 2.05 -0.12 0.00 0.00 0.00 0.00 55.97 57.75 3kdr s LYS 151 Cb 0.02 -2.77 0.06 0.00 0.00 0.00 0.00 37.83 35.15 3kdr s LYS 151 CO 0.66 -0.40 1.13 0.00 0.00 0.00 0.00 175.35 176.74 3kdr s ALA 152 N -1.29 2.07 0.05 0.59 0.00 -1.26 -1.38 121.76 120.53 3kdr s ALA 152 Ca 0.56 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 3kdr s ALA 152 Cb -0.36 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.41 3kdr s ALA 152 CO 0.46 -1.94 0.27 0.54 0.00 0.00 0.00 175.76 175.08 3kdr s VAL 153 N -2.56 0.09 0.09 0.00 0.11 -0.60 -4.84 120.40 112.70 3kdr s VAL 153 Ca 0.66 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 3kdr s VAL 153 Cb -0.21 -0.96 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 3kdr s VAL 153 CO 0.52 -0.42 1.05 -0.62 -3.33 0.00 0.00 175.10 172.29 3kdr s ASP 154 N -2.13 7.33 0.00 3.54 2.15 -1.26 -4.49 116.67 121.80 3kdr s ASP 154 Ca -0.04 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.82 3kdr s ASP 154 Cb -0.01 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3kdr s ASP 154 CO -0.04 -0.23 0.04 -2.65 -0.17 0.00 0.00 175.17 172.12 3kdr n PRO 155 N 3.15 0.00 0.00 4.34 -0.02 -1.26 -4.07 135.00 137.13 3kdr n PRO 155 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3kdr n PRO 155 Cb 0.48 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3kdr n PRO 155 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdr n GLU 157 N 1.50 -0.02 -4.10 -0.52 1.02 -1.26 -4.74 120.64 112.53 3kdr n GLU 157 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3kdr n GLU 157 Cb 0.00 -0.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.92 3kdr n GLU 157 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kdr s VAL 158 N 0.00 0.49 -0.17 2.62 -7.23 -1.26 -1.15 120.40 113.71 3kdr s VAL 158 Ca 0.00 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3kdr s VAL 158 Cb 0.00 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.86 3kdr s VAL 158 CO 0.00 -0.68 -0.17 0.00 -0.31 0.00 0.00 175.10 173.94 3kdr s ILE 160 N 1.37 4.71 0.08 0.00 -1.09 -1.26 -0.18 121.20 124.84 3kdr s ILE 160 Ca 0.05 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3kdr s ILE 160 Cb -0.13 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 3kdr s ILE 160 CO -0.12 0.37 0.17 -0.36 -1.23 0.00 0.00 174.94 173.77 3kdr s PHE 161 N 1.12 3.38 -0.07 3.97 0.40 0.29 -4.94 117.98 122.13 3kdr s PHE 161 Ca 0.05 0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.59 3kdr s PHE 161 Cb -0.14 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 3kdr s PHE 161 CO 0.04 0.55 -0.22 0.08 0.70 0.00 0.00 175.22 176.37 3kdr s VAL 162 N -1.51 1.89 0.00 -0.44 1.01 -1.26 -1.91 120.40 118.18 3kdr s VAL 162 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kdr s VAL 162 Cb -0.12 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3kdr s VAL 162 CO 0.26 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3kdr n GLY 163 N 3.30 0.60 0.47 4.51 0.00 0.78 -4.78 105.19 110.08 3kdr n GLY 163 Ca -0.19 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3kdr n GLY 163 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kdr n ILE 164 N 0.00 0.00 -2.01 -0.61 -5.35 -1.26 -4.98 119.36 105.15 3kdr n ILE 164 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3kdr n ILE 164 Cb 0.00 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 3kdr n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kdr n HIS 165 N -0.03 0.00 1.07 4.28 1.44 -1.26 -5.04 115.22 115.68 3kdr n HIS 165 Ca 0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 3kdr n HIS 165 Cb 0.43 0.00 0.30 0.00 0.12 0.00 0.00 29.99 30.84 3kdr n HIS 165 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kdr n GLY 166 N 0.00 0.70 0.00 -1.39 0.00 -1.26 -4.39 105.19 98.85 3kdr n GLY 166 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3kdr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdr n GLY 167 N 1.29 2.41 0.30 -0.02 0.00 -1.26 -4.02 105.19 103.89 3kdr n GLY 167 Ca 0.17 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.57 3kdr n GLY 167 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdr h LEU 168 N 0.00 0.52 -2.10 0.99 3.38 -0.64 -1.01 115.31 116.46 3kdr h LEU 168 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kdr h LEU 168 Cb 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kdr h LEU 168 CO 0.00 0.43 -0.04 -0.07 0.09 0.00 0.00 178.44 178.85 3kdr h LEU 169 N 0.60 0.00 0.00 1.67 3.38 -1.49 1.02 115.31 120.49 3kdr h LEU 169 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kdr h LEU 169 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kdr h LEU 169 CO -0.03 0.04 -0.07 0.74 0.09 0.00 0.00 178.44 179.21 3kdr h THR 170 N 0.00 0.00 -0.36 0.22 2.02 -1.44 -3.38 112.91 109.97 3kdr h THR 170 Ca -0.00 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.19 3kdr h THR 170 Cb 0.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3kdr h THR 170 CO 0.00 0.00 -0.26 0.45 0.37 0.00 0.00 175.52 176.09 3kdr h HIS 171 N -0.87 0.84 -0.57 3.16 3.86 -0.95 -3.31 115.15 117.31 3kdr h HIS 171 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3kdr h HIS 171 Cb 0.07 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3kdr h HIS 171 CO -0.03 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.68 3kdr n ALA 172 N -2.50 2.89 -0.23 2.45 0.00 0.35 -4.59 120.51 118.88 3kdr n ALA 172 Ca -0.00 -1.60 0.01 0.00 0.00 0.00 0.00 53.44 51.86 3kdr n ALA 172 Cb 0.45 -0.89 0.25 0.00 0.00 0.00 0.00 19.45 19.26 3kdr n ALA 172 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kdr h SER 173 N 3.56 0.86 -0.31 0.00 0.87 -1.65 -1.58 113.55 115.30 3kdr h SER 173 Ca 0.00 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3kdr h SER 173 Cb 1.32 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3kdr h SER 173 CO 0.18 0.61 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.81 3kdr h GLU 174 N 1.01 0.69 -0.43 2.24 4.81 -1.87 -1.45 114.58 119.58 3kdr h GLU 174 Ca 0.29 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3kdr h GLU 174 Cb -0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kdr h GLU 174 CO -0.07 0.93 0.09 1.15 -0.73 0.00 0.00 179.01 180.38 3kdr h THR 175 N 0.45 1.24 -0.37 0.32 2.02 -1.80 0.22 112.91 114.99 3kdr h THR 175 Ca 0.06 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 3kdr h THR 175 Cb 0.75 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3kdr h THR 175 CO 0.06 0.29 0.23 -0.26 0.37 0.00 0.00 175.52 176.21 3kdr h PHE 176 N 0.57 0.48 0.13 3.16 0.04 -1.27 0.33 116.94 120.39 3kdr h PHE 176 Ca 0.13 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3kdr h PHE 176 Cb 0.34 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3kdr h PHE 176 CO 0.02 0.33 -0.15 1.15 -0.60 0.00 0.00 178.31 179.06 3kdr h THR 177 N 0.49 0.66 -0.71 -1.55 2.02 -0.77 -1.26 112.91 111.78 3kdr h THR 177 Ca 0.13 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.41 3kdr h THR 177 Cb -0.02 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 3kdr h THR 177 CO -0.03 0.00 0.34 -0.78 0.37 0.00 0.00 175.52 175.43 3kdr h ASP 178 N -0.32 0.43 -0.59 4.18 3.58 -0.32 0.55 116.42 123.93 3kdr h ASP 178 Ca 0.01 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 3kdr h ASP 178 Cb 0.31 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 3kdr h ASP 178 CO -0.05 0.24 0.20 0.00 -2.88 0.00 0.00 179.24 176.74 3kdr h ALA 179 N 1.44 0.77 0.26 -0.78 0.00 0.22 -1.34 119.26 119.83 3kdr h ALA 179 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kdr h ALA 179 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kdr h ALA 179 CO -0.28 0.43 -0.12 -0.09 0.00 0.00 0.00 179.25 179.18 3kdr h ARG 180 N 0.83 -0.33 0.00 0.00 1.12 -0.83 -2.98 114.38 112.18 3kdr h ARG 180 Ca 0.19 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 3kdr h ARG 180 Cb 0.27 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.30 3kdr h ARG 180 CO -0.01 -0.04 -0.07 -0.91 -3.11 0.00 0.00 179.97 175.83 3kdr h ASN 181 N -0.64 0.00 -0.27 -3.80 2.35 -0.69 -1.98 115.58 110.56 3kdr h ASN 181 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3kdr h ASN 181 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3kdr h ASN 181 CO 0.06 0.07 -0.21 0.25 -1.65 0.00 0.00 177.43 175.95 3kdr h LEU 182 N 0.00 0.65 -0.96 1.61 5.85 -1.13 -0.58 115.31 120.75 3kdr h LEU 182 Ca -0.00 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3kdr h LEU 182 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3kdr h LEU 182 CO 0.01 0.97 0.19 1.62 -0.34 0.00 0.00 178.44 180.89 3kdr h VAL 183 N 0.35 1.24 -0.21 1.05 3.04 -1.22 -2.64 116.25 117.84 3kdr h VAL 183 Ca 0.05 -0.81 -0.10 0.00 -1.01 0.00 0.00 66.70 64.83 3kdr h VAL 183 Cb 0.76 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3kdr h VAL 183 CO 0.06 0.31 -0.29 0.03 -1.01 0.00 0.00 177.57 176.67 3kdr h ARG 184 N 0.91 0.42 -0.34 4.17 3.08 -1.35 -2.88 114.38 118.39 3kdr h ARG 184 Ca 0.20 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kdr h ARG 184 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3kdr h ARG 184 CO -0.01 0.68 0.17 0.00 -1.07 0.00 0.00 179.97 179.74 3kdr h ALA 185 N 1.32 0.44 -0.52 0.04 0.00 -0.82 -2.32 119.26 117.40 3kdr h ALA 185 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kdr h ALA 185 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3kdr h ALA 185 CO 0.05 -0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.55 3kdr h ALA 186 N 1.03 1.46 -0.34 0.00 0.00 -1.39 0.33 119.26 120.35 3kdr h ALA 186 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3kdr h ALA 186 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kdr h ALA 186 CO -0.02 0.43 -0.22 0.00 0.00 0.00 0.00 179.25 179.44 3kdr h ALA 187 N 1.55 0.48 0.23 0.00 0.00 -1.26 -0.93 119.26 119.33 3kdr h ALA 187 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kdr h ALA 187 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kdr h ALA 187 CO -0.03 0.44 -0.11 0.00 0.00 0.00 0.00 179.25 179.56 3kdr h ARG 188 N 0.51 -0.30 0.00 0.00 3.08 -0.94 -3.31 114.38 113.43 3kdr h ARG 188 Ca 0.07 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3kdr h ARG 188 Cb 0.77 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3kdr h ARG 188 CO 0.06 -0.18 -0.27 0.28 -1.07 0.00 0.00 179.97 178.79 3kdr h VAL 189 N -0.33 0.71 -0.02 2.04 2.07 -0.15 -2.65 116.25 117.91 3kdr h VAL 189 Ca -0.03 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3kdr h VAL 189 Cb 0.25 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3kdr h VAL 189 CO 0.05 0.27 -0.30 0.00 0.02 0.00 0.00 177.57 177.61 3kdr h ALA 190 N 1.73 1.46 0.00 1.67 0.00 -1.26 -2.63 119.26 120.23 3kdr h ALA 190 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kdr h ALA 190 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kdr h ALA 190 CO 0.04 0.40 -1.27 1.04 0.00 0.00 0.00 179.25 179.46 3kdr n GLN 191 N -4.17 1.20 -3.37 0.00 6.02 -1.21 -4.75 117.38 111.10 3kdr n GLN 191 Ca -0.02 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.00 56.63 3kdr n GLN 191 Cb 0.36 -1.26 -0.08 0.00 1.02 0.00 0.00 30.24 30.27 3kdr n GLN 191 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdr n ASN 192 N -1.74 1.36 0.22 1.08 3.02 -1.00 -4.96 115.26 113.23 3kdr n ASN 192 Ca -0.01 -2.90 0.15 0.00 -0.03 0.00 0.00 54.58 51.80 3kdr n ASN 192 Cb 0.31 -0.65 0.72 0.00 -0.61 0.00 0.00 39.78 39.55 3kdr n ASN 192 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kdr h PRO 193 N 4.48 0.00 -5.45 3.52 0.13 -1.73 -3.39 132.00 129.57 3kdr h PRO 193 Ca 0.15 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.67 3kdr h PRO 193 Cb 0.81 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.82 3kdr h PRO 193 CO 0.58 0.00 0.10 0.00 -0.23 0.00 0.00 178.00 178.44 3kdr s ALA 194 N -3.64 3.59 0.24 -0.56 0.00 -1.26 -0.64 121.76 119.49 3kdr s ALA 194 Ca -0.00 -0.54 0.15 0.00 0.00 0.00 0.00 51.96 51.57 3kdr s ALA 194 Cb 0.09 -3.00 0.60 0.00 0.00 0.00 0.00 23.12 20.82 3kdr s ALA 194 CO 0.39 -0.84 1.72 0.00 0.00 0.00 0.00 175.76 177.02 3kdr h ALA 195 N 8.00 1.06 -3.42 0.00 0.00 -0.55 -3.43 119.26 120.92 3kdr h ALA 195 Ca -0.27 -0.41 -0.41 0.00 0.00 0.00 0.00 54.91 53.81 3kdr h ALA 195 Cb 1.13 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 3kdr h ALA 195 CO 0.76 0.56 -0.77 -1.17 0.00 0.00 0.00 179.25 178.63 3kdr s LEU 196 N -7.42 1.19 -0.12 0.00 2.96 -0.92 -5.03 118.68 109.33 3kdr s LEU 196 Ca -0.01 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3kdr s LEU 196 Cb 0.12 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 3kdr s LEU 196 CO 0.71 -0.08 0.05 -0.63 -1.32 0.00 0.00 176.35 175.08 3kdr s ILE 197 N 1.13 4.73 -0.11 6.68 -1.09 -1.26 -0.69 121.20 130.58 3kdr s ILE 197 Ca -0.08 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 3kdr s ILE 197 Cb -0.14 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 3kdr s ILE 197 CO -0.01 0.57 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.41 3kdr s GLU 198 N -0.55 3.17 -0.33 2.79 2.12 0.14 -4.98 118.70 121.06 3kdr s GLU 198 Ca 0.10 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.61 3kdr s GLU 198 Cb -0.12 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.77 3kdr s GLU 198 CO 0.02 0.27 0.14 -0.51 -0.54 0.00 0.00 175.26 174.64 3kdr s LEU 199 N 0.18 4.22 -0.23 2.70 1.43 -1.26 -0.24 118.68 125.48 3kdr s LEU 199 Ca -0.09 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.16 3kdr s LEU 199 Cb -0.15 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3kdr s LEU 199 CO 0.05 -0.26 0.05 -0.60 0.23 0.00 0.00 176.35 175.83 3kdr s ARG 200 N 1.54 3.70 -0.12 1.70 3.52 0.63 -4.92 118.95 125.01 3kdr s ARG 200 Ca 0.03 -0.46 -0.28 0.00 -0.13 0.00 0.00 55.73 54.88 3kdr s ARG 200 Cb -0.18 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3kdr s ARG 200 CO 0.05 -0.06 0.94 1.14 -0.81 0.00 0.00 175.30 176.55 3kdr s GLN 201 N 1.26 4.39 -0.06 5.12 -2.07 -1.25 -1.18 119.66 125.87 3kdr s GLN 201 Ca 0.05 1.26 -0.01 0.00 -1.82 0.00 0.00 55.36 54.84 3kdr s GLN 201 Cb -0.15 -3.54 -0.26 0.00 -1.09 0.00 0.00 33.01 27.97 3kdr s GLN 201 CO 0.03 -0.29 0.60 1.79 -1.32 0.00 0.00 175.29 176.10 3kdr h THR 202 N 5.10 0.84 -1.67 3.63 1.35 0.70 -3.48 112.91 119.38 3kdr h THR 202 Ca -0.31 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3kdr h THR 202 Cb 1.15 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3kdr h THR 202 CO 0.84 0.77 0.00 -0.46 -0.25 0.00 0.00 175.52 176.42 3kdr n ASN 203 N -3.36 0.00 -0.32 5.36 0.23 -1.23 -4.99 115.26 110.94 3kdr n ASN 203 Ca -0.23 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.89 3kdr n ASN 203 Cb 1.05 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.86 3kdr n ASN 203 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kdr n ASN 204 N 0.00 1.68 -4.38 0.53 3.02 -1.26 -5.06 115.26 109.78 3kdr n ASN 204 Ca 0.00 -2.92 -0.36 0.00 -0.03 0.00 0.00 54.58 51.27 3kdr n ASN 204 Cb 0.00 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3kdr n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdr n ALA 205 N -0.98 -2.24 -2.73 5.41 0.00 -1.26 -4.92 120.51 113.80 3kdr n ALA 205 Ca 0.12 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3kdr n ALA 205 Cb 0.69 -1.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 3kdr n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kdr s GLN 206 N -2.46 2.87 0.31 0.00 -0.21 -1.26 -5.04 119.66 113.86 3kdr s GLN 206 Ca 0.61 -1.12 0.07 0.00 0.02 0.00 0.00 55.36 54.94 3kdr s GLN 206 Cb -0.35 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 29.77 3kdr s GLN 206 CO 0.62 -0.77 0.31 -0.51 -2.12 0.00 0.00 175.29 172.82 3kdr s LEU 207 N 1.60 3.77 0.21 2.90 1.43 -1.26 -5.11 118.68 122.22 3kdr s LEU 207 Ca 0.03 -0.34 0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3kdr s LEU 207 Cb -0.20 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3kdr s LEU 207 CO 0.08 -0.27 -0.20 -0.55 0.23 0.00 0.00 176.35 175.64 3kdr s SER 208 N -3.99 3.66 0.32 2.29 0.15 -1.26 -4.94 113.70 109.94 3kdr s SER 208 Ca 0.39 -0.84 0.08 0.00 0.70 0.00 0.00 55.95 56.29 3kdr s SER 208 Cb -0.07 -0.37 0.82 0.00 -1.71 0.00 0.00 66.02 64.69 3kdr s SER 208 CO 0.27 0.10 1.78 -0.65 1.20 0.00 0.00 173.24 175.93 3kdr h PRO 209 N 2.91 0.66 -0.27 5.44 0.11 -1.99 0.63 132.00 139.49 3kdr h PRO 209 Ca -0.45 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3kdr h PRO 209 Cb 1.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kdr h PRO 209 CO 0.52 0.44 -0.55 -0.44 -0.21 0.00 0.00 178.00 177.76 3kdr h ASP 210 N 0.68 0.91 0.06 -2.05 5.19 -1.96 0.43 116.42 119.69 3kdr h ASP 210 Ca 0.58 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3kdr h ASP 210 Cb 1.02 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 3kdr h ASP 210 CO -0.37 1.28 -0.12 0.44 -3.12 0.00 0.00 179.24 177.35 3kdr h ASP 211 N 0.63 -0.34 -0.90 6.45 3.32 -0.22 0.20 116.42 125.57 3kdr h ASP 211 Ca 0.01 0.03 0.22 0.00 0.02 0.00 0.00 57.03 57.32 3kdr h ASP 211 Cb 1.14 0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 3kdr h ASP 211 CO 0.12 -0.13 -0.01 0.58 -1.72 0.00 0.00 179.24 178.07 3kdr h VAL 212 N -0.19 0.15 -0.56 -1.35 2.07 -0.97 -0.12 116.25 115.28 3kdr h VAL 212 Ca -0.01 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kdr h VAL 212 Cb 0.18 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3kdr h VAL 212 CO -0.04 0.01 0.35 -0.78 0.02 0.00 0.00 177.57 177.12 3kdr h ASP 213 N 0.05 0.66 0.31 0.57 1.82 0.61 -1.96 116.42 118.48 3kdr h ASP 213 Ca 0.51 -0.05 -0.23 0.00 -0.39 0.00 0.00 57.03 56.88 3kdr h ASP 213 Cb 0.96 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.81 3kdr h ASP 213 CO -0.83 0.51 -0.93 0.03 -1.61 0.00 0.00 179.24 176.41 3kdr h ARG 214 N 0.75 0.43 -0.54 0.28 3.08 0.11 -2.98 114.38 115.51 3kdr h ARG 214 Ca 0.20 -0.46 0.10 0.00 0.07 0.00 0.00 59.98 59.90 3kdr h ARG 214 Cb -0.04 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.06 3kdr h ARG 214 CO -0.04 1.11 0.04 0.82 -1.07 0.00 0.00 179.97 180.84 3kdr h ILE 215 N 0.25 0.61 -0.56 2.04 2.04 -0.77 0.23 117.51 121.35 3kdr h ILE 215 Ca -0.08 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.83 3kdr h ILE 215 Cb 1.57 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 3kdr h ILE 215 CO 0.16 0.03 0.11 0.40 0.00 0.00 0.00 178.15 178.85 3kdr h ILE 216 N 0.16 0.67 -0.71 -0.67 2.04 -1.40 -2.16 117.51 115.45 3kdr h ILE 216 Ca 0.28 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.08 3kdr h ILE 216 Cb 0.42 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3kdr h ILE 216 CO -0.42 0.04 0.47 0.78 0.00 0.00 0.00 178.15 179.02 3kdr h ASN 217 N 0.24 0.76 -0.31 1.72 2.35 -0.53 0.32 115.58 120.13 3kdr h ASN 217 Ca 0.29 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.09 3kdr h ASN 217 Cb 0.41 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 3kdr h ASN 217 CO -0.37 0.53 -0.12 1.23 -1.65 0.00 0.00 177.43 177.04 3kdr h GLY 218 N 0.88 0.15 0.99 2.83 0.00 -0.13 0.90 103.07 108.70 3kdr h GLY 218 Ca 0.28 0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.60 3kdr h GLY 218 CO -0.07 -0.15 -0.47 -1.82 0.00 0.00 0.00 176.54 174.03 3kdr h TYR 219 N -0.06 0.87 -0.55 5.60 5.03 -0.68 -1.58 116.97 125.60 3kdr h TYR 219 Ca 0.16 -0.33 0.04 0.00 2.58 0.00 0.00 58.73 61.18 3kdr h TYR 219 Cb 0.29 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 3kdr h TYR 219 CO -0.33 1.11 0.37 0.28 -1.32 0.00 0.00 178.16 178.27 3kdr h VAL 220 N 0.38 1.04 0.45 1.81 2.07 -0.20 0.19 116.25 121.99 3kdr h VAL 220 Ca -0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kdr h VAL 220 Cb 1.08 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3kdr h VAL 220 CO 0.10 0.11 -0.22 0.00 0.02 0.00 0.00 177.57 177.58 3kdr h ALA 221 N 1.69 -0.61 -0.46 1.67 0.00 -0.50 -2.22 119.26 118.84 3kdr h ALA 221 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kdr h ALA 221 Cb 0.17 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kdr h ALA 221 CO -0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 179.25 178.31 3kdr h ALA 222 N -0.21 0.99 0.00 0.00 0.00 -0.64 0.16 119.26 119.57 3kdr h ALA 222 Ca -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kdr h ALA 222 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kdr h ALA 222 CO 0.10 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.85 3kdr h ARG 223 N 0.74 0.00 0.00 0.00 2.43 -0.56 0.21 114.38 117.20 3kdr h ARG 223 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3kdr h ARG 223 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3kdr h ARG 223 CO 0.04 0.02 -0.59 0.00 -1.51 0.00 0.00 179.97 177.93 3kdr h ARG 224 N 0.00 0.00 0.00 0.20 3.08 -0.08 -3.49 114.38 114.10 3kdr h ARG 224 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdr h ARG 224 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kdr h ARG 224 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3kdr n GLY 225 N 1.32 1.28 0.29 0.04 0.00 0.74 -4.98 105.19 103.87 3kdr n GLY 225 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3kdr n GLY 225 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdr h ARG 226 N 0.00 0.98 -2.09 1.61 3.08 -1.63 -3.20 114.38 113.14 3kdr h ARG 226 Ca 0.00 -0.24 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 3kdr h ARG 226 Cb 0.00 -0.13 -0.41 0.00 0.08 0.00 0.00 29.97 29.51 3kdr h ARG 226 CO 0.00 0.90 -1.00 0.09 -1.07 0.00 0.00 179.97 178.88 3kdr n ASN 227 N -4.34 1.90 -3.64 7.04 3.02 -1.26 -4.82 115.26 113.15 3kdr n ASN 227 Ca 0.03 -3.18 -0.24 0.00 -0.03 0.00 0.00 54.58 51.16 3kdr n ASN 227 Cb 0.24 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 38.87 3kdr n ASN 227 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kdr n SER 228 N 0.31 -5.60 -3.60 6.41 7.64 -1.21 -1.36 113.62 116.21 3kdr n SER 228 Ca 0.26 -0.60 -0.22 0.00 1.01 0.00 0.00 58.87 59.32 3kdr n SER 228 Cb 0.56 -4.82 0.04 0.00 -1.01 0.00 0.00 64.21 58.99 3kdr n SER 228 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdr n GLY 229 N -1.87 -0.63 3.46 0.23 0.00 -1.26 -5.00 105.19 100.12 3kdr n GLY 229 Ca -0.02 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3kdr n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdr s VAL 230 N -3.55 3.52 0.14 1.61 1.01 -0.46 -4.99 120.40 117.67 3kdr s VAL 230 Ca 0.20 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3kdr s VAL 230 Cb -0.05 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3kdr s VAL 230 CO 0.81 0.52 -0.17 -0.83 0.00 0.00 0.00 175.10 175.42 3kdr s GLY 231 N 0.20 1.26 -0.24 4.51 0.00 -1.26 -4.20 107.32 107.58 3kdr s GLY 231 Ca -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 3kdr s GLY 231 CO 0.04 -1.42 -0.08 -0.12 0.00 0.00 0.00 173.10 171.51 3kdr s PHE 232 N -1.92 3.05 -0.59 1.90 5.36 -1.26 -5.07 117.98 119.45 3kdr s PHE 232 Ca 0.12 -1.63 -0.22 0.00 -0.96 0.00 0.00 56.93 54.24 3kdr s PHE 232 Cb -0.06 -2.03 0.06 0.00 -0.34 0.00 0.00 43.02 40.65 3kdr s PHE 232 CO 0.05 -0.75 0.85 -1.12 -1.46 0.00 0.00 175.22 172.79 3kdr s SER 233 N 1.30 6.23 -1.33 6.13 0.01 -1.26 -4.96 113.70 119.82 3kdr s SER 233 Ca 0.00 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.26 3kdr s SER 233 Cb -0.16 -2.38 0.09 0.00 0.21 0.00 0.00 66.02 63.78 3kdr s SER 233 CO -0.06 -1.22 1.84 -1.20 0.41 0.00 0.00 173.24 173.01 3kdr n SER 234 N 7.14 4.71 0.00 2.44 7.64 -1.26 -4.67 113.62 129.62 3kdr n SER 234 Ca -0.04 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.91 3kdr n SER 234 Cb 0.46 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 3kdr n SER 234 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kdr n SER 235 N 6.64 0.00 -0.06 6.43 7.64 -1.26 -2.83 113.62 130.18 3kdr n SER 235 Ca 0.46 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.35 3kdr n SER 235 Cb 0.42 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3kdr n SER 235 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdr n GLY 236 N -0.68 2.68 3.26 0.23 0.00 -1.26 -4.62 105.19 104.80 3kdr n GLY 236 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3kdr n GLY 236 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdr s LEU 237 N -0.94 2.09 -0.02 0.99 2.96 -1.13 0.39 118.68 123.03 3kdr s LEU 237 Ca 0.02 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3kdr s LEU 237 Cb 0.01 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.59 3kdr s LEU 237 CO 0.02 0.24 0.01 -1.61 -1.32 0.00 0.00 176.35 173.69 3kdr s GLU 238 N -0.79 0.06 -0.22 1.98 2.02 -0.33 -4.46 118.70 116.97 3kdr s GLU 238 Ca 0.09 0.10 -0.16 0.00 0.02 0.00 0.00 54.97 55.01 3kdr s GLU 238 Cb -0.09 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 3kdr s GLU 238 CO 0.00 -0.10 0.41 0.08 0.02 0.00 0.00 175.26 175.67 3kdr s VAL 239 N 0.71 5.18 -0.10 2.63 1.01 -1.26 -0.26 120.40 128.30 3kdr s VAL 239 Ca -0.06 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.64 3kdr s VAL 239 Cb -0.09 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3kdr s VAL 239 CO -0.02 0.21 -0.17 -1.00 0.00 0.00 0.00 175.10 174.12 3kdr s HIS 240 N 1.59 2.04 -0.05 5.22 3.76 0.67 -4.98 115.29 123.54 3kdr s HIS 240 Ca 0.18 -0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 54.01 3kdr s HIS 240 Cb -0.15 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 3kdr s HIS 240 CO 0.08 -0.42 0.54 -1.21 -0.85 0.00 0.00 174.74 172.89 3kdr s GLU 241 N 0.73 4.29 0.17 1.40 2.02 -1.26 0.24 118.70 126.29 3kdr s GLU 241 Ca -0.12 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.52 3kdr s GLU 241 Cb -0.16 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 3kdr s GLU 241 CO 0.02 0.31 -0.07 -1.01 0.02 0.00 0.00 175.26 174.53 3kdr s HIS 242 N 0.07 1.34 0.55 1.61 3.76 0.14 -4.98 115.29 117.79 3kdr s HIS 242 Ca 0.29 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 3kdr s HIS 242 Cb -0.17 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.80 3kdr s HIS 242 CO 0.14 0.03 0.00 0.39 -0.85 0.00 0.00 174.74 174.46 3kdr n GLU 243 N -0.26 -4.34 -4.92 1.40 -0.58 -1.26 -2.17 120.64 108.51 3kdr n GLU 243 Ca -0.09 3.29 -0.30 0.00 -0.42 0.00 0.00 57.16 59.65 3kdr n GLU 243 Cb 0.62 -3.89 -0.15 0.00 -0.57 0.00 0.00 31.44 27.45 3kdr n GLU 243 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdr s ALA 245 N -4.38 2.21 -0.58 0.62 0.00 0.18 -0.49 121.76 119.32 3kdr s ALA 245 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 3kdr s ALA 245 Cb 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3kdr s ALA 245 CO 0.00 0.52 0.84 0.15 0.00 0.00 0.00 175.76 177.28 3kdr s LYS 246 N -1.19 3.17 0.10 0.00 -0.14 -1.26 -4.95 119.74 115.48 3kdr s LYS 246 Ca 0.11 -0.74 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 3kdr s LYS 246 Cb -0.10 -4.15 -0.15 0.00 -1.68 0.00 0.00 37.83 31.75 3kdr s LYS 246 CO 0.02 -1.54 1.31 1.05 -0.76 0.00 0.00 175.35 175.43 3kdr h GLU 247 N 9.31 0.80 -0.42 1.68 4.11 -2.01 -2.65 114.58 125.39 3kdr h GLU 247 Ca -0.28 -0.65 0.00 0.00 0.07 0.00 0.00 59.36 58.51 3kdr h GLU 247 Cb 1.08 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3kdr h GLU 247 CO 1.09 1.25 0.28 -0.91 0.07 0.00 0.00 179.01 180.79 3kdr h ASN 248 N 0.55 0.48 0.07 3.06 2.35 -1.98 0.51 115.58 120.62 3kdr h ASN 248 Ca -0.05 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3kdr h ASN 248 Cb 1.40 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 3kdr h ASN 248 CO 0.16 0.35 -0.05 0.25 -1.65 0.00 0.00 177.43 176.49 3kdr h LEU 249 N 0.57 0.00 0.05 1.61 5.85 -1.97 0.51 115.31 121.94 3kdr h LEU 249 Ca 0.15 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.59 3kdr h LEU 249 Cb -0.06 0.00 0.03 0.00 0.37 0.00 0.00 40.66 40.99 3kdr h LEU 249 CO -0.03 0.05 -1.13 -0.07 -0.34 0.00 0.00 178.44 176.92 3kdr h LEU 250 N 0.00 0.90 -0.25 2.25 3.38 -0.53 -1.84 115.31 119.22 3kdr h LEU 250 Ca -0.00 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 57.11 3kdr h LEU 250 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kdr h LEU 250 CO 0.01 1.57 -0.16 0.40 0.09 0.00 0.00 178.44 180.34 3kdr h ILE 251 N 0.34 1.31 -0.24 1.22 2.04 0.13 -2.24 117.51 120.07 3kdr h ILE 251 Ca -0.16 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.28 3kdr h ILE 251 Cb 1.79 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 3kdr h ILE 251 CO 0.22 0.40 -0.41 -0.33 0.00 0.00 0.00 178.15 178.03 3kdr h GLU 252 N 0.28 0.70 -0.55 2.37 4.39 -0.18 -3.15 114.58 118.43 3kdr h GLU 252 Ca 0.05 -0.43 0.07 0.00 0.34 0.00 0.00 59.36 59.39 3kdr h GLU 252 Cb 0.69 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 3kdr h GLU 252 CO 0.05 1.05 0.37 0.78 -1.16 0.00 0.00 179.01 180.10 3kdr h GLY 253 N 0.41 0.62 0.90 -3.84 0.00 -1.32 -0.08 103.07 99.76 3kdr h GLY 253 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kdr h GLY 253 CO 0.09 0.14 0.03 -0.09 0.00 0.00 0.00 176.54 176.71 3kdr h ARG 254 N 0.49 0.08 -0.62 4.80 2.43 -1.36 0.62 114.38 120.81 3kdr h ARG 254 Ca 0.24 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3kdr h ARG 254 Cb 0.34 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3kdr h ARG 254 CO -0.07 0.16 0.27 -0.97 -1.51 0.00 0.00 179.97 177.85 3kdr h ASN 255 N -0.02 0.84 -0.90 -3.80 -1.24 -1.38 -2.66 115.58 106.43 3kdr h ASN 255 Ca 0.02 -0.15 0.11 0.00 0.71 0.00 0.00 56.30 56.98 3kdr h ASN 255 Cb 0.10 -0.22 -0.07 0.00 0.73 0.00 0.00 38.32 38.87 3kdr h ASN 255 CO -0.00 0.76 0.58 0.00 -1.29 0.00 0.00 177.43 177.48 3kdr h ALA 256 N 1.11 1.67 -0.42 1.57 0.00 -0.84 -1.54 119.26 120.82 3kdr h ALA 256 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3kdr h ALA 256 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kdr h ALA 256 CO -0.02 0.13 0.13 0.00 0.00 0.00 0.00 179.25 179.49 3kdr h ALA 257 N 1.56 0.55 -0.76 0.00 0.00 -0.54 -1.32 119.26 118.75 3kdr h ALA 257 Ca 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3kdr h ALA 257 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kdr h ALA 257 CO -0.19 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.55 3kdr h ALA 258 N 0.98 1.07 -0.19 0.00 0.00 -1.03 -0.56 119.26 119.53 3kdr h ALA 258 Ca 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3kdr h ALA 258 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kdr h ALA 258 CO -0.00 0.65 -0.43 0.28 0.00 0.00 0.00 179.25 179.75 3kdr h VAL 259 N 1.11 1.31 -0.45 0.00 2.07 -1.12 -1.37 116.25 117.81 3kdr h VAL 259 Ca 0.25 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 3kdr h VAL 259 Cb 0.23 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3kdr h VAL 259 CO -0.02 0.50 -0.06 0.44 0.02 0.00 0.00 177.57 178.44 3kdr h ASP 260 N 0.38 0.76 -0.09 0.57 3.32 -0.40 -1.11 116.42 119.85 3kdr h ASP 260 Ca 0.03 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3kdr h ASP 260 Cb 0.91 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3kdr h ASP 260 CO 0.08 0.87 0.03 0.58 -1.72 0.00 0.00 179.24 179.08 3kdr h VAL 261 N 0.71 1.16 -0.78 -1.35 2.07 -0.59 -1.14 116.25 116.33 3kdr h VAL 261 Ca 0.13 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.27 3kdr h VAL 261 Cb 0.53 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3kdr h VAL 261 CO 0.03 0.14 0.42 0.00 0.02 0.00 0.00 177.57 178.18 3kdr h ALA 262 N 0.86 1.10 -0.16 1.67 0.00 -1.09 -2.29 119.26 119.36 3kdr h ALA 262 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kdr h ALA 262 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kdr h ALA 262 CO -0.00 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.37 3kdr h ARG 263 N 0.72 0.22 -1.31 0.00 3.08 -0.76 -0.55 114.38 115.77 3kdr h ARG 263 Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3kdr h ARG 263 Cb 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3kdr h ARG 263 CO -0.25 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 178.88 3kdr n ALA 264 N -2.19 1.36 -2.65 0.04 0.00 -0.47 -4.61 120.51 111.99 3kdr n ALA 264 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 3kdr n ALA 264 Cb 0.08 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.64 3kdr n ALA 264 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kdr n ASN 266 N 0.82 -1.31 -4.28 0.00 5.15 -0.31 -5.01 115.26 110.31 3kdr n ASN 266 Ca 0.00 -2.07 -0.23 0.00 -0.60 0.00 0.00 54.58 51.69 3kdr n ASN 266 Cb 0.01 0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 39.78 3kdr n ASN 266 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kdr s VAL 267 N 0.12 1.67 0.30 3.44 1.01 -0.64 -4.28 120.40 122.02 3kdr s VAL 267 Ca 0.09 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 3kdr s VAL 267 Cb 0.37 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 3kdr s VAL 267 CO -0.11 -0.15 1.27 -2.84 0.00 0.00 0.00 175.10 173.28 3kdr s PRO 268 N -2.12 4.41 0.55 2.72 0.02 -1.26 -4.28 135.00 135.04 3kdr s PRO 268 Ca 0.08 2.12 0.23 0.00 0.02 0.00 0.00 61.00 63.45 3kdr s PRO 268 Cb -0.09 -3.11 1.47 0.00 0.02 0.00 0.00 34.50 32.79 3kdr s PRO 268 CO 0.05 -0.13 2.11 0.00 -0.33 0.00 0.00 177.00 178.70 3kdr h ALA 269 N 3.81 2.01 0.00 -1.55 0.00 -1.90 -0.02 119.26 121.61 3kdr h ALA 269 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kdr h ALA 269 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kdr h ALA 269 CO 0.68 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 3kdr h ALA 270 N 1.88 1.35 -0.07 0.00 0.00 -1.91 -1.22 119.26 119.29 3kdr h ALA 270 Ca 0.08 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3kdr h ALA 270 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kdr h ALA 270 CO -0.00 0.18 -0.71 0.74 0.00 0.00 0.00 179.25 179.46 3kdr h PHE 271 N 0.00 0.48 -0.54 0.00 0.05 -1.33 -2.42 116.94 113.18 3kdr h PHE 271 Ca -0.00 -0.21 0.00 0.00 3.82 0.00 0.00 57.97 61.58 3kdr h PHE 271 Cb 0.35 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.23 3kdr h PHE 271 CO 0.00 0.95 0.00 0.44 -0.18 0.00 0.00 178.31 179.52 3kdr n ILE 272 N -3.83 2.00 -2.07 -0.55 -5.35 -1.10 -4.94 119.36 103.53 3kdr n ILE 272 Ca -0.04 -1.12 -0.13 0.00 -0.27 0.00 0.00 62.75 61.19 3kdr n ILE 272 Cb 0.70 -0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 3kdr n ILE 272 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kdr n ASP 273 N 0.76 -4.13 -4.91 7.28 8.00 -0.91 -4.99 116.55 117.65 3kdr n ASP 273 Ca 0.23 0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.52 3kdr n ASP 273 Cb 0.94 -3.21 0.03 0.00 -0.02 0.00 0.00 41.12 38.86 3kdr n ASP 273 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kdr s ALA 274 N -2.61 3.22 -0.07 2.24 0.00 -0.49 -4.99 121.76 119.06 3kdr s ALA 274 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3kdr s ALA 274 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 3kdr s ALA 274 CO 0.00 -0.86 -0.08 0.99 0.00 0.00 0.00 175.76 175.81 3kdr s THR 275 N -3.06 3.57 -0.28 0.00 2.01 -1.26 -4.22 115.64 112.40 3kdr s THR 275 Ca 0.55 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 3kdr s THR 275 Cb -0.11 -2.45 0.09 0.00 0.01 0.00 0.00 72.50 70.04 3kdr s THR 275 CO 0.46 0.59 0.06 -0.69 -0.69 0.00 0.00 174.62 174.36 3kdr s VAL 276 N -0.75 0.92 0.00 3.82 1.01 -1.26 -4.97 120.40 119.17 3kdr s VAL 276 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3kdr s VAL 276 Cb -0.11 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3kdr s VAL 276 CO 0.01 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.22 3kdr n GLY 277 N 4.85 0.00 0.00 4.51 0.00 -1.26 -5.17 105.19 108.12 3kdr n GLY 277 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kdr n GLY 277 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kdr n GLN 284 N 0.00 0.00 -3.50 1.61 6.02 -1.26 -5.35 117.38 114.91 3kdr n GLN 284 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 3kdr n GLN 284 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3kdr n GLN 284 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kdr s ASN 285 N 0.00 6.36 0.30 1.08 2.20 -1.26 -4.95 114.94 118.66 3kdr s ASN 285 Ca 0.00 0.48 0.03 0.00 -0.94 0.00 0.00 52.86 52.43 3kdr s ASN 285 Cb 0.00 -2.04 0.76 0.00 -2.00 0.00 0.00 41.25 37.97 3kdr s ASN 285 CO 0.00 -0.18 1.63 0.00 -2.94 0.00 0.00 177.10 175.61 3kdr h ALA 286 N 1.37 1.34 -0.05 3.54 0.00 -2.02 0.13 119.26 123.57 3kdr h ALA 286 Ca -0.49 0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3kdr h ALA 286 Cb 1.20 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3kdr h ALA 286 CO 0.64 -0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.28 3kdr h ALA 287 N 1.82 -0.08 -0.89 0.00 0.00 -1.97 -2.50 119.26 115.64 3kdr h ALA 287 Ca 0.58 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.64 3kdr h ALA 287 Cb 1.21 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 3kdr h ALA 287 CO -0.69 -0.59 0.50 0.77 0.00 0.00 0.00 179.25 179.25 3kdr h SER 288 N -0.16 0.68 0.00 0.00 0.02 -1.36 -2.48 113.55 110.25 3kdr h SER 288 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3kdr h SER 288 Cb 0.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3kdr h SER 288 CO -0.14 0.34 0.00 0.54 -1.14 0.00 0.00 176.83 176.42 3kdr n ARG 289 N -4.77 0.42 0.00 3.45 1.74 -0.94 -0.13 116.66 116.43 3kdr n ARG 289 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3kdr n ARG 289 Cb 0.38 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3kdr n ARG 289 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kdr n ILE 291 N 0.73 0.00 -0.05 0.55 5.41 -0.94 0.12 119.36 125.18 3kdr n ILE 291 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3kdr n ILE 291 Cb 0.20 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.09 3kdr n ILE 291 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kdr h GLU 292 N 0.00 0.28 -0.39 0.38 4.57 -0.80 0.01 114.58 118.63 3kdr h GLU 292 Ca 0.00 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 3kdr h GLU 292 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3kdr h GLU 292 CO 0.00 0.25 -0.04 1.25 -1.18 0.00 0.00 179.01 179.29 3kdr h LEU 293 N 0.23 0.62 -0.03 1.64 5.85 0.65 -3.01 115.31 121.26 3kdr h LEU 293 Ca 0.07 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3kdr h LEU 293 Cb 0.05 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kdr h LEU 293 CO -0.01 0.72 -0.21 0.58 -0.34 0.00 0.00 178.44 179.17 3kdr h VAL 294 N 0.61 1.49 -0.25 1.05 2.07 -1.74 0.16 116.25 119.64 3kdr h VAL 294 Ca 0.12 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 3kdr h VAL 294 Cb 0.44 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3kdr h VAL 294 CO 0.02 0.48 0.13 0.74 0.02 0.00 0.00 177.57 178.96 3kdr h THR 295 N -0.39 1.13 0.00 2.57 2.02 -0.89 -0.34 112.91 117.01 3kdr h THR 295 Ca -0.02 -0.34 -0.34 0.00 0.77 0.00 0.00 66.41 66.49 3kdr h THR 295 Cb 0.90 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 3kdr h THR 295 CO 0.04 0.12 -2.27 0.49 0.37 0.00 0.00 175.52 174.28 3kdr n PHE 296 N -4.85 0.00 0.21 3.16 3.72 -1.15 -4.46 117.46 114.10 3kdr n PHE 296 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 3kdr n PHE 296 Cb 0.08 -0.87 -0.07 0.00 -0.94 0.00 0.00 39.48 37.68 3kdr n PHE 296 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kdr h GLY 297 N 2.28 -0.60 0.00 1.37 0.00 -0.79 -3.42 103.07 101.91 3kdr h GLY 297 Ca -0.50 0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3kdr h GLY 297 CO -0.05 -0.22 -1.56 -0.62 0.00 0.00 0.00 176.54 174.09 3kdr n VAL 298 N -5.20 0.22 0.25 4.60 0.31 -0.78 -4.48 118.33 113.25 3kdr n VAL 298 Ca -0.10 -0.31 0.10 0.00 -0.01 0.00 0.00 64.34 64.02 3kdr n VAL 298 Cb 0.29 -0.07 0.67 0.00 -0.91 0.00 0.00 33.84 33.83 3kdr n VAL 298 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kdr h GLU 299 N 0.00 0.00 -0.70 5.55 4.39 -1.28 -1.48 114.58 121.06 3kdr h GLU 299 Ca -0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 3kdr h GLU 299 Cb 0.86 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3kdr h GLU 299 CO 0.00 0.00 0.26 -1.35 -1.16 0.00 0.00 179.01 176.77 3kdr h PRO 300 N 0.00 1.05 -1.27 2.33 0.10 -1.82 0.08 132.00 132.47 3kdr h PRO 300 Ca 0.02 -0.19 0.00 0.00 0.10 0.00 0.00 66.00 65.93 3kdr h PRO 300 Cb 0.08 -0.17 0.00 0.00 0.10 0.00 0.00 31.00 31.00 3kdr h PRO 300 CO -0.00 0.86 0.00 1.28 0.10 0.00 0.00 178.00 180.24 3kdr n LEU 301 N -4.29 1.23 0.00 2.35 4.77 -0.56 -2.21 117.00 118.30 3kdr n LEU 301 Ca 0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3kdr n LEU 301 Cb 0.19 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kdr n LEU 301 CO 0.40 0.22 0.00 -1.20 -1.33 0.00 0.00 177.39 175.48 3kdr n SER 303 N 0.64 0.00 -0.24 -1.43 7.64 0.02 -1.00 113.62 119.23 3kdr n SER 303 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3kdr n SER 303 Cb 0.22 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 3kdr n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdr h ALA 304 N 0.00 0.87 -0.31 -0.43 0.00 -1.69 -0.88 119.26 116.81 3kdr h ALA 304 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3kdr h ALA 304 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kdr h ALA 304 CO 0.00 0.37 -0.42 0.82 0.00 0.00 0.00 179.25 180.02 3kdr h ILE 305 N 0.93 1.28 -0.30 0.00 2.04 -1.36 -2.89 117.51 117.22 3kdr h ILE 305 Ca 0.24 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.53 3kdr h ILE 305 Cb 0.02 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3kdr h ILE 305 CO -0.04 0.52 0.10 -0.33 0.00 0.00 0.00 178.15 178.40 3kdr h GLU 306 N 0.62 0.23 -0.82 2.37 5.08 -1.75 -1.84 114.58 118.47 3kdr h GLU 306 Ca 0.04 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 3kdr h GLU 306 Cb 1.02 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 3kdr h GLU 306 CO 0.10 0.15 0.35 0.00 -1.00 0.00 0.00 179.01 178.61 3kdr h ALA 307 N 1.19 1.22 -0.15 3.43 0.00 -1.09 -0.07 119.26 123.79 3kdr h ALA 307 Ca 0.13 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kdr h ALA 307 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kdr h ALA 307 CO -0.14 -0.23 -0.33 -0.09 0.00 0.00 0.00 179.25 178.47 3kdr h ARG 308 N 0.46 0.49 0.00 0.00 9.65 -1.28 -3.12 114.38 120.58 3kdr h ARG 308 Ca 0.47 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3kdr h ARG 308 Cb 0.77 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 3kdr h ARG 308 CO -0.44 0.93 -0.21 -0.07 2.80 0.00 0.00 179.97 182.98 3kdr h LEU 309 N 0.11 0.00 -4.26 3.80 3.38 -0.67 -2.99 115.31 114.67 3kdr h LEU 309 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3kdr h LEU 309 Cb 0.93 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 3kdr h LEU 309 CO 0.07 0.21 0.06 0.59 0.09 0.00 0.00 178.44 179.47 3kdr n ASN 310 N -3.73 5.94 -4.33 -0.43 5.03 -0.10 -3.67 115.26 113.97 3kdr n ASN 310 Ca -0.01 -2.89 -0.19 0.00 0.87 0.00 0.00 54.58 52.36 3kdr n ASN 310 Cb 0.32 -1.30 -0.10 0.00 -1.02 0.00 0.00 39.78 37.67 3kdr n ASN 310 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kdr s GLN 311 N -0.56 1.27 0.45 3.52 -1.52 -1.13 -4.93 119.66 116.76 3kdr s GLN 311 Ca 0.61 -1.50 0.11 0.00 -1.95 0.00 0.00 55.36 52.63 3kdr s GLN 311 Cb 0.35 -1.14 1.01 0.00 -0.22 0.00 0.00 33.01 33.01 3kdr s GLN 311 CO -0.12 0.20 2.08 -1.35 -0.25 0.00 0.00 175.29 175.85 3kdr h PRO 312 N 2.85 0.30 -0.01 2.91 0.11 -1.91 0.45 132.00 136.70 3kdr h PRO 312 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kdr h PRO 312 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kdr h PRO 312 CO 0.58 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3kdr n ASP 313 N -4.48 0.01 -4.53 -2.05 3.85 -1.26 -4.24 116.55 103.85 3kdr n ASP 313 Ca 0.00 -0.32 -0.34 0.00 -0.71 0.00 0.00 54.79 53.42 3kdr n ASP 313 Cb 0.09 -0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.78 3kdr n ASP 313 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 3kdr n HIS 315 N -0.45 1.09 -0.32 2.11 -0.00 0.16 -4.52 115.22 113.29 3kdr n HIS 315 Ca 0.00 0.17 0.03 0.00 -0.00 0.00 0.00 57.72 57.92 3kdr n HIS 315 Cb 0.00 -2.46 0.21 0.00 -0.00 0.00 0.00 29.99 27.74 3kdr n HIS 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kdr h ALA 316 N 16.43 1.45 -0.73 1.57 0.00 -1.79 -2.51 119.26 133.69 3kdr h ALA 316 Ca -0.15 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 3kdr h ALA 316 Cb 1.25 -0.30 -0.18 0.00 0.00 0.00 0.00 17.79 18.55 3kdr h ALA 316 CO 1.23 0.43 0.39 -3.47 0.00 0.00 0.00 179.25 177.83 3kdr n ASP 317 N -4.47 4.05 0.22 0.00 4.64 -1.26 -4.53 116.55 115.20 3kdr n ASP 317 Ca 0.13 -3.18 0.06 0.00 -1.38 0.00 0.00 54.79 50.42 3kdr n ASP 317 Cb 0.15 -0.75 0.50 0.00 -1.04 0.00 0.00 41.12 39.99 3kdr n ASP 317 CO 0.00 0.00 0.00 1.12 -0.82 0.00 0.00 177.20 177.50 3kdr h HIS 318 N 1.61 0.00 0.18 -0.67 2.07 -1.64 0.94 115.15 117.63 3kdr h HIS 318 Ca 0.37 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.88 3kdr h HIS 318 Cb 2.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.31 3kdr h HIS 318 CO 1.22 0.24 -0.09 -0.07 -3.07 0.00 0.00 177.93 176.16 3kdr h LEU 319 N 0.00 -0.21 0.01 6.12 4.07 -1.86 -3.12 115.31 120.33 3kdr h LEU 319 Ca -0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 3kdr h LEU 319 Cb 0.47 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3kdr h LEU 319 CO 0.03 0.11 -0.06 0.00 -1.08 0.00 0.00 178.44 177.44 3kdr h ALA 320 N 0.21 -0.01 -2.61 1.53 0.00 -1.84 -3.42 119.26 113.12 3kdr h ALA 320 Ca -0.02 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 3kdr h ALA 320 Cb 0.41 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 3kdr h ALA 320 CO 0.04 0.02 -0.68 0.09 0.00 0.00 0.00 179.25 178.72 3kdr n ASN 321 N -4.59 2.55 -4.77 0.00 5.03 0.32 -5.06 115.26 108.75 3kdr n ASN 321 Ca -0.10 -3.13 -0.35 0.00 0.87 0.00 0.00 54.58 51.87 3kdr n ASN 321 Cb 0.49 -0.69 0.03 0.00 -1.02 0.00 0.00 39.78 38.59 3kdr n ASN 321 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3kdr s PRO 322 N -1.57 3.05 -0.01 3.52 0.04 -1.18 -4.37 135.00 134.48 3kdr s PRO 322 Ca 0.32 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 3kdr s PRO 322 Cb 0.05 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3kdr s PRO 322 CO -0.12 -1.09 0.84 -1.17 0.04 0.00 0.00 177.00 175.50 3kdr s LEU 323 N -4.23 4.37 0.05 -3.56 2.96 -1.26 -4.42 118.68 112.58 3kdr s LEU 323 Ca 0.72 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 56.12 3kdr s LEU 323 Cb -0.25 -3.34 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3kdr s LEU 323 CO 0.33 -0.16 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.57 3kdr s LYS 324 N 0.73 0.59 0.58 1.98 1.02 -0.92 -4.90 119.74 118.83 3kdr s LYS 324 Ca 0.44 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 3kdr s LYS 324 Cb -0.20 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 3kdr s LYS 324 CO 0.24 0.08 1.06 -0.06 -0.92 0.00 0.00 175.35 175.75 3kdr s PHE 325 N -1.28 2.98 -0.65 3.18 0.08 -1.26 0.04 117.98 121.07 3kdr s PHE 325 Ca -0.08 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.55 3kdr s PHE 325 Cb -0.10 -3.02 0.20 0.00 -0.57 0.00 0.00 43.02 39.53 3kdr s PHE 325 CO 0.01 -1.10 0.56 -3.47 -0.10 0.00 0.00 175.22 171.12 3kdr n ASP 326 N -1.92 2.83 0.28 1.36 2.03 0.11 -4.83 116.55 116.40 3kdr n ASP 326 Ca 0.09 -3.19 0.15 0.00 0.52 0.00 0.00 54.79 52.36 3kdr n ASP 326 Cb 0.53 -0.71 0.82 0.00 -0.72 0.00 0.00 41.12 41.04 3kdr n ASP 326 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kdr h PRO 327 N 4.97 0.00 -0.22 -0.67 0.11 -1.95 0.09 132.00 134.33 3kdr h PRO 327 Ca 0.17 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.34 3kdr h PRO 327 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 3kdr h PRO 327 CO 0.71 0.08 0.18 0.00 -0.21 0.00 0.00 178.00 178.76 3kdr h ALA 328 N 1.92 2.03 -0.60 -0.75 0.00 -1.98 0.11 119.26 119.99 3kdr h ALA 328 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kdr h ALA 328 Cb 0.27 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kdr h ALA 328 CO 0.01 -0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.25 3kdr h ALA 329 N 1.84 1.37 -0.80 0.00 0.00 -1.39 -1.61 119.26 118.68 3kdr h ALA 329 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kdr h ALA 329 Cb 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3kdr h ALA 329 CO -0.00 0.49 0.43 -0.07 0.00 0.00 0.00 179.25 180.09 3kdr h LEU 330 N 0.84 1.00 -0.52 0.00 3.38 -0.92 -1.57 115.31 117.53 3kdr h LEU 330 Ca 0.21 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3kdr h LEU 330 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kdr h LEU 330 CO -0.03 0.81 -0.59 -0.07 0.09 0.00 0.00 178.44 178.65 3kdr h LEU 331 N 1.12 0.55 -1.31 1.67 3.38 -1.33 -3.08 115.31 116.30 3kdr h LEU 331 Ca 0.28 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kdr h LEU 331 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kdr h LEU 331 CO -0.04 1.02 -0.08 0.44 0.09 0.00 0.00 178.44 179.86 3kdr h ASP 332 N 0.37 0.35 -0.49 -0.43 3.32 -0.97 -2.66 116.42 115.90 3kdr h ASP 332 Ca -0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3kdr h ASP 332 Cb 1.13 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3kdr h ASP 332 CO 0.11 0.47 0.19 0.00 -1.72 0.00 0.00 179.24 178.28 3kdr h ALA 333 N 1.57 1.32 -2.25 3.45 0.00 -1.21 -3.42 119.26 118.73 3kdr h ALA 333 Ca 0.07 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.25 3kdr h ALA 333 Cb 0.36 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kdr h ALA 333 CO 0.02 0.50 1.10 -0.89 0.00 0.00 0.00 179.25 179.97 3kdr n ILE 334 N -4.32 0.51 -0.51 0.00 5.41 -1.01 -4.94 119.36 114.51 3kdr n ILE 334 Ca 0.04 -0.09 -0.28 0.00 1.00 0.00 0.00 62.75 63.42 3kdr n ILE 334 Cb 0.18 -2.00 0.25 0.00 -0.71 0.00 0.00 39.64 37.36 3kdr n ILE 334 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3kdr s PRO 335 N 3.47 -0.94 0.00 0.38 0.02 -1.26 -5.03 135.00 131.64 3kdr s PRO 335 Ca 0.88 0.91 0.11 0.00 0.02 0.00 0.00 61.00 62.91 3kdr s PRO 335 Cb -0.58 -1.55 0.08 0.00 0.02 0.00 0.00 34.50 32.48 3kdr s PRO 335 CO 0.44 -3.76 0.84 0.25 -0.33 0.00 0.00 177.00 174.44