#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gk1 s ALA 55 N 0.00 3.32 -0.07 0.55 0.00 -1.26 -5.00 121.76 119.30 2gk1 s ALA 55 Ca 0.00 -2.80 -0.23 0.00 0.00 0.00 0.00 51.96 48.93 2gk1 s ALA 55 Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 23.12 18.75 2gk1 s ALA 55 CO 0.00 -3.18 0.70 -0.51 0.00 0.00 0.00 175.76 172.76 2gk1 s LEU 56 N 3.41 4.31 -0.10 0.00 1.43 -1.26 -4.77 118.68 121.71 2gk1 s LEU 56 Ca 0.43 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.64 2gk1 s LEU 56 Cb -0.01 -3.07 0.04 0.00 0.03 0.00 0.00 46.19 43.17 2gk1 s LEU 56 CO -0.04 -0.12 0.24 0.86 0.23 0.00 0.00 176.35 177.53 2gk1 s TRP 57 N 0.83 -0.30 0.81 0.29 -0.11 -1.26 -3.82 118.94 115.38 2gk1 s TRP 57 Ca 0.37 0.72 -0.11 0.00 1.22 0.00 0.00 56.10 58.30 2gk1 s TRP 57 Cb -0.18 0.06 0.09 0.00 -1.50 0.00 0.00 33.47 31.94 2gk1 s TRP 57 CO 0.18 -0.19 1.13 -2.14 -4.62 0.00 0.00 176.95 171.31 2gk1 s PRO 58 N 0.78 1.79 0.05 5.86 0.02 -1.26 -4.82 135.00 137.42 2gk1 s PRO 58 Ca -0.05 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 2gk1 s PRO 58 Cb -0.07 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 2gk1 s PRO 58 CO -0.05 -2.03 1.70 -1.17 -0.33 0.00 0.00 177.00 175.12 2gk1 s LEU 59 N -6.00 4.37 1.20 -5.54 2.96 -1.25 -4.96 118.68 109.46 2gk1 s LEU 59 Ca 0.66 2.49 -0.17 0.00 -0.22 0.00 0.00 54.13 56.90 2gk1 s LEU 59 Cb -0.21 -3.56 0.24 0.00 0.50 0.00 0.00 46.19 43.16 2gk1 s LEU 59 CO 0.54 -0.92 0.59 -2.65 -1.32 0.00 0.00 176.35 172.59 2gk1 n PRO 60 N 6.04 -2.58 0.29 0.98 -0.02 -1.26 -4.26 135.00 134.19 2gk1 n PRO 60 Ca 0.17 -0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 60.77 2gk1 n PRO 60 Cb 0.41 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 2gk1 n PRO 60 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gk1 h LEU 61 N -2.65 -0.65 -7.64 2.45 5.85 -1.84 -3.44 115.31 107.39 2gk1 h LEU 61 Ca -0.55 -0.03 -0.51 0.00 0.84 0.00 0.00 57.88 57.63 2gk1 h LEU 61 Cb 1.31 0.17 -0.37 0.00 0.37 0.00 0.00 40.66 42.13 2gk1 h LEU 61 CO 0.40 -0.27 -0.79 -0.55 -0.34 0.00 0.00 178.44 176.89 2gk1 s SER 62 N -4.68 2.08 -0.06 1.25 0.15 0.54 -4.96 113.70 108.03 2gk1 s SER 62 Ca -0.14 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.29 2gk1 s SER 62 Cb 0.02 -0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 2gk1 s SER 62 CO 0.45 -0.14 -0.21 -0.69 1.20 0.00 0.00 173.24 173.84 2gk1 s VAL 63 N 1.77 1.78 -0.38 4.45 1.01 -1.26 -1.33 120.40 126.44 2gk1 s VAL 63 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2gk1 s VAL 63 Cb -0.13 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 34.84 2gk1 s VAL 63 CO -0.08 0.50 0.14 -0.54 0.00 0.00 0.00 175.10 175.12 2gk1 s LYS 64 N 0.03 1.27 -0.18 2.72 1.02 -0.84 -5.03 119.74 118.72 2gk1 s LYS 64 Ca -0.07 -1.76 -0.15 0.00 0.02 0.00 0.00 55.97 54.01 2gk1 s LYS 64 Cb -0.14 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2gk1 s LYS 64 CO 0.04 -1.03 0.35 -1.64 -0.92 0.00 0.00 175.35 172.15 2gk1 s MET 65 N 0.83 4.21 -0.02 1.68 -1.94 -1.26 -3.00 119.30 119.81 2gk1 s MET 65 Ca 0.13 0.14 0.03 0.00 -1.71 0.00 0.00 55.69 54.28 2gk1 s MET 65 Cb -0.21 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 2gk1 s MET 65 CO -0.10 0.09 -0.07 0.95 -0.01 0.00 0.00 175.02 175.88 2gk1 s THR 66 N 0.91 3.68 0.61 2.05 -4.23 -1.14 -5.02 115.64 112.50 2gk1 s THR 66 Ca 0.18 -0.69 0.30 0.00 -1.18 0.00 0.00 61.69 60.30 2gk1 s THR 66 Cb -0.14 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.49 2gk1 s THR 66 CO 0.06 0.45 2.03 -0.65 -0.54 0.00 0.00 174.62 175.97 2gk1 h PRO 67 N 4.70 0.00 -6.35 3.99 0.11 -1.97 -3.38 132.00 129.10 2gk1 h PRO 67 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 2gk1 h PRO 67 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2gk1 h PRO 67 CO 0.53 0.00 1.11 1.21 -0.21 0.00 0.00 178.00 180.64 2gk1 s ASN 68 N -5.33 6.58 0.34 -2.05 2.47 -1.26 -4.94 114.94 110.75 2gk1 s ASN 68 Ca -0.04 2.45 -0.08 0.00 0.42 0.00 0.00 52.86 55.61 2gk1 s ASN 68 Cb 0.14 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.34 2gk1 s ASN 68 CO 0.48 -0.96 0.66 -0.76 -3.72 0.00 0.00 177.10 172.81 2gk1 s LEU 69 N 3.74 3.96 0.04 3.21 1.43 -1.26 -1.18 118.68 128.62 2gk1 s LEU 69 Ca 0.78 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2gk1 s LEU 69 Cb -0.38 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 2gk1 s LEU 69 CO 0.34 -0.28 -0.04 -0.76 0.23 0.00 0.00 176.35 175.84 2gk1 s LEU 70 N -3.62 2.36 0.20 1.79 1.43 0.14 -4.78 118.68 116.20 2gk1 s LEU 70 Ca 0.48 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2gk1 s LEU 70 Cb -0.11 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 2gk1 s LEU 70 CO 0.29 -0.40 -0.20 -1.00 0.23 0.00 0.00 176.35 175.28 2gk1 s HIS 71 N -2.51 2.04 0.05 0.29 3.76 0.13 0.17 115.29 119.22 2gk1 s HIS 71 Ca -0.04 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2gk1 s HIS 71 Cb -0.02 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 2gk1 s HIS 71 CO -0.04 0.45 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.65 2gk1 s LEU 72 N -2.88 2.20 -0.36 0.89 1.02 -0.98 -1.07 118.68 117.50 2gk1 s LEU 72 Ca 0.20 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 2gk1 s LEU 72 Cb -0.06 -0.59 0.09 0.00 0.02 0.00 0.00 46.19 45.66 2gk1 s LEU 72 CO 0.09 0.01 0.11 0.00 0.02 0.00 0.00 176.35 176.58 2gk1 s ALA 73 N -0.95 3.01 0.10 4.21 0.00 -1.26 -4.58 121.76 122.27 2gk1 s ALA 73 Ca 0.01 -2.32 -0.19 0.00 0.00 0.00 0.00 51.96 49.46 2gk1 s ALA 73 Cb -0.08 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2gk1 s ALA 73 CO 0.02 -1.63 1.01 -2.30 0.00 0.00 0.00 175.76 172.85 2gk1 n PRO 74 N 4.53 -0.27 -1.00 0.00 -0.02 -1.26 0.30 135.00 137.29 2gk1 n PRO 74 Ca -0.04 0.99 -0.21 0.00 -2.02 0.00 0.00 63.50 62.22 2gk1 n PRO 74 Cb 0.42 -1.46 0.06 0.00 -0.02 0.00 0.00 33.50 32.50 2gk1 n PRO 74 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gk1 n GLU 75 N -4.61 2.03 0.00 -0.52 1.02 -1.26 -3.45 120.64 113.85 2gk1 n GLU 75 Ca 0.01 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 2gk1 n GLU 75 Cb 0.16 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2gk1 n GLU 75 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2gk1 n ASN 76 N -0.07 0.00 -4.75 1.62 5.15 0.86 -5.11 115.26 112.97 2gk1 n ASN 76 Ca 0.39 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.98 2gk1 n ASN 76 Cb 0.66 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.86 2gk1 n ASN 76 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2gk1 s PHE 77 N 0.00 3.72 0.03 1.20 5.36 0.15 -4.86 117.98 123.58 2gk1 s PHE 77 Ca 0.00 1.39 0.03 0.00 -0.96 0.00 0.00 56.93 57.39 2gk1 s PHE 77 Cb 0.00 -2.75 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2gk1 s PHE 77 CO 0.00 0.31 -0.10 0.71 -1.46 0.00 0.00 175.22 174.68 2gk1 s TYR 78 N -0.13 0.85 -0.50 10.12 2.02 -0.79 -4.96 117.35 123.95 2gk1 s TYR 78 Ca 0.36 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2gk1 s TYR 78 Cb -0.20 -0.51 0.13 0.00 -0.40 0.00 0.00 41.96 40.98 2gk1 s TYR 78 CO 0.21 -0.02 0.26 0.42 -1.57 0.00 0.00 175.55 174.85 2gk1 s ILE 79 N -0.89 2.85 0.54 2.71 1.01 -1.26 -1.34 121.20 124.82 2gk1 s ILE 79 Ca -0.03 -2.94 0.02 0.00 0.00 0.00 0.00 60.65 57.70 2gk1 s ILE 79 Cb -0.07 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.45 2gk1 s ILE 79 CO 0.01 -0.77 0.12 -0.94 0.00 0.00 0.00 174.94 173.36 2gk1 s SER 80 N 0.36 4.30 0.23 3.58 1.04 -1.04 -4.92 113.70 117.25 2gk1 s SER 80 Ca 0.15 -1.59 -0.18 0.00 0.48 0.00 0.00 55.95 54.81 2gk1 s SER 80 Cb -0.23 0.66 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 2gk1 s SER 80 CO -0.03 -1.00 0.69 -1.00 0.98 0.00 0.00 173.24 172.88 2gk1 s HIS 81 N -2.88 3.58 0.13 5.02 3.76 -1.26 -0.87 115.29 122.77 2gk1 s HIS 81 Ca 0.09 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.99 2gk1 s HIS 81 Cb -0.01 -2.55 -0.07 0.00 1.11 0.00 0.00 32.58 31.07 2gk1 s HIS 81 CO 0.06 0.30 1.13 0.45 -0.85 0.00 0.00 174.74 175.83 2gk1 s SER 82 N -1.81 7.20 0.58 1.40 0.15 -0.77 -4.79 113.70 115.66 2gk1 s SER 82 Ca 0.44 2.05 0.32 0.00 0.70 0.00 0.00 55.95 59.46 2gk1 s SER 82 Cb -0.15 -2.59 1.39 0.00 -1.71 0.00 0.00 66.02 62.95 2gk1 s SER 82 CO 0.20 -0.31 1.70 -0.65 1.20 0.00 0.00 173.24 175.38 2gk1 h PRO 83 N 5.75 0.00 -2.08 5.44 0.11 -1.97 -0.61 132.00 138.65 2gk1 h PRO 83 Ca -0.43 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.00 2gk1 h PRO 83 Cb 1.21 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.96 2gk1 h PRO 83 CO 0.75 0.00 0.02 0.27 -0.21 0.00 0.00 178.00 178.84 2gk1 n ASN 84 N -3.76 5.73 -4.49 -2.05 2.04 -1.26 -5.01 115.26 106.46 2gk1 n ASN 84 Ca 0.20 -3.72 -0.29 0.00 -0.44 0.00 0.00 54.58 50.33 2gk1 n ASN 84 Cb 1.15 -0.77 -0.11 0.00 -2.53 0.00 0.00 39.78 37.52 2gk1 n ASN 84 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2gk1 s SER 85 N -2.59 3.87 -0.06 0.53 0.15 -0.24 -4.80 113.70 110.55 2gk1 s SER 85 Ca 0.47 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2gk1 s SER 85 Cb 0.30 -0.54 0.08 0.00 -1.71 0.00 0.00 66.02 64.16 2gk1 s SER 85 CO -0.19 0.18 1.24 0.35 1.20 0.00 0.00 173.24 176.02 2gk1 n THR 86 N 0.78 1.42 -3.20 6.45 -2.24 -0.98 -4.63 114.28 111.88 2gk1 n THR 86 Ca -0.16 -0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.33 2gk1 n THR 86 Cb 0.53 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.74 2gk1 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gk1 s ALA 87 N -0.45 -2.32 0.02 6.98 0.00 -1.26 -4.32 121.76 120.42 2gk1 s ALA 87 Ca 0.08 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2gk1 s ALA 87 Cb 0.06 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2gk1 s ALA 87 CO 0.01 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2gk1 n GLY 88 N 5.43 1.88 0.19 0.00 0.00 -1.26 -4.79 105.19 106.64 2gk1 n GLY 88 Ca -0.02 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.09 2gk1 n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gk1 h PRO 89 N 0.00 0.04 0.00 1.61 0.11 -2.01 -3.12 132.00 128.63 2gk1 h PRO 89 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2gk1 h PRO 89 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2gk1 h PRO 89 CO 0.00 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 177.05 2gk1 n SER 90 N -4.11 0.00 -4.24 -2.05 3.41 -1.26 -4.43 113.62 100.94 2gk1 n SER 90 Ca -0.02 -0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 57.95 2gk1 n SER 90 Cb 0.40 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2gk1 n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gk1 h THR 92 N 6.02 0.40 -0.78 0.00 2.02 -1.92 -2.24 112.91 116.42 2gk1 h THR 92 Ca -0.23 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.13 2gk1 h THR 92 Cb 1.08 0.40 -0.12 0.00 -1.74 0.00 0.00 68.15 67.77 2gk1 h THR 92 CO 0.91 0.00 0.22 0.25 0.37 0.00 0.00 175.52 177.28 2gk1 h LEU 93 N -0.33 0.07 -0.04 2.58 6.46 -1.93 0.19 115.31 122.31 2gk1 h LEU 93 Ca 0.09 0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2gk1 h LEU 93 Cb 0.47 0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2gk1 h LEU 93 CO -0.30 -0.04 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.09 2gk1 h LEU 94 N 0.29 0.35 -1.25 2.25 3.38 -1.89 -2.44 115.31 116.00 2gk1 h LEU 94 Ca 0.45 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2gk1 h LEU 94 Cb 0.80 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 2gk1 h LEU 94 CO -0.53 1.00 0.53 -0.33 0.09 0.00 0.00 178.44 179.20 2gk1 h GLU 95 N -0.27 0.93 -0.51 1.13 4.39 -0.69 0.57 114.58 120.13 2gk1 h GLU 95 Ca -0.03 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2gk1 h GLU 95 Cb 1.01 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2gk1 h GLU 95 CO 0.07 0.61 0.01 0.93 -1.16 0.00 0.00 179.01 179.47 2gk1 h GLU 96 N 0.95 0.88 -0.30 2.33 4.39 -0.71 -2.65 114.58 119.48 2gk1 h GLU 96 Ca 0.33 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 2gk1 h GLU 96 Cb 0.11 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2gk1 h GLU 96 CO -0.10 0.91 -0.40 0.00 -1.16 0.00 0.00 179.01 178.26 2gk1 h ALA 97 N 0.94 0.73 -0.64 3.43 0.00 -0.73 -1.22 119.26 121.77 2gk1 h ALA 97 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2gk1 h ALA 97 Cb 0.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2gk1 h ALA 97 CO 0.02 0.66 0.36 0.74 0.00 0.00 0.00 179.25 181.03 2gk1 h PHE 98 N 0.59 0.86 0.55 0.00 0.04 0.17 -0.32 116.94 118.83 2gk1 h PHE 98 Ca 0.05 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2gk1 h PHE 98 Cb 0.94 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 38.81 2gk1 h PHE 98 CO 0.05 0.59 -0.26 -0.09 -0.60 0.00 0.00 178.31 178.00 2gk1 h ARG 99 N 0.89 -0.71 -0.95 1.51 2.43 -1.41 -3.08 114.38 113.06 2gk1 h ARG 99 Ca 0.23 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 2gk1 h ARG 99 Cb 0.01 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 2gk1 h ARG 99 CO -0.04 -0.46 -0.56 -0.09 -1.51 0.00 0.00 179.97 177.31 2gk1 h ARG 100 N -1.18 -0.03 -0.58 0.20 2.43 -0.77 -1.72 114.38 112.73 2gk1 h ARG 100 Ca -0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2gk1 h ARG 100 Cb 0.58 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2gk1 h ARG 100 CO 0.12 -0.02 -0.01 1.88 -1.51 0.00 0.00 179.97 180.43 2gk1 h TYR 101 N -0.03 1.13 -0.03 2.20 0.05 -1.22 -0.68 116.97 118.38 2gk1 h TYR 101 Ca 0.17 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.76 2gk1 h TYR 101 Cb 0.45 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 2gk1 h TYR 101 CO -0.99 1.01 0.41 1.25 -1.05 0.00 0.00 178.16 178.79 2gk1 h HIS 102 N 0.92 0.00 0.28 4.88 2.76 -1.22 0.53 115.15 123.30 2gk1 h HIS 102 Ca 0.16 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2gk1 h HIS 102 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2gk1 h HIS 102 CO 0.04 0.00 -0.14 0.78 -1.30 0.00 0.00 177.93 177.31 2gk1 h GLY 103 N 0.00 -0.40 0.51 5.26 0.00 -0.76 -3.33 103.07 104.35 2gk1 h GLY 103 Ca 0.01 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.52 2gk1 h GLY 103 CO -0.00 -0.15 -0.20 -0.97 0.00 0.00 0.00 176.54 175.22 2gk1 h TYR 104 N -0.77 -0.53 -0.88 5.60 0.05 0.07 -2.17 116.97 118.34 2gk1 h TYR 104 Ca -0.04 0.02 0.23 0.00 0.05 0.00 0.00 58.73 58.99 2gk1 h TYR 104 Cb 0.29 0.24 -0.15 0.00 1.01 0.00 0.00 36.73 38.12 2gk1 h TYR 104 CO 0.03 -0.29 0.10 0.82 -1.05 0.00 0.00 178.16 177.77 2gk1 h ILE 105 N -0.32 0.22 0.00 -2.88 2.04 -0.93 -3.38 117.51 112.26 2gk1 h ILE 105 Ca 0.06 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2gk1 h ILE 105 Cb 0.40 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2gk1 h ILE 105 CO -0.19 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.47 2gk1 n PHE 106 N -5.35 0.00 0.00 1.37 3.72 -0.93 -4.89 117.46 111.37 2gk1 n PHE 106 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2gk1 n PHE 106 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2gk1 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gk1 n GLY 107 N 4.00 0.00 0.00 1.37 0.00 -0.86 -5.06 105.19 104.65 2gk1 n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gk1 n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gk1 n THR 122 N -0.02 0.00 -3.93 2.61 5.66 -1.26 -4.76 114.28 112.57 2gk1 n THR 122 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2gk1 n THR 122 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 2gk1 n THR 122 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2gk1 s GLN 123 N 0.00 3.30 -0.05 1.09 0.74 -1.26 0.17 119.66 123.65 2gk1 s GLN 123 Ca 0.00 -0.67 -0.26 0.00 0.05 0.00 0.00 55.36 54.48 2gk1 s GLN 123 Cb 0.00 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 2gk1 s GLN 123 CO 0.00 -0.21 0.84 0.08 -0.55 0.00 0.00 175.29 175.45 2gk1 s VAL 124 N 1.45 4.95 -0.06 1.34 1.01 -0.23 -4.53 120.40 124.33 2gk1 s VAL 124 Ca 0.05 1.73 0.12 0.00 0.00 0.00 0.00 61.98 63.89 2gk1 s VAL 124 Cb -0.14 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.88 2gk1 s VAL 124 CO -0.05 0.18 0.19 0.00 0.00 0.00 0.00 175.10 175.42 2gk1 n GLN 125 N 4.03 1.08 -3.69 2.72 6.02 -0.46 -4.45 117.38 122.62 2gk1 n GLN 125 Ca 0.03 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 2gk1 n GLN 125 Cb 0.51 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 2gk1 n GLN 125 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2gk1 s GLN 126 N -2.66 0.52 -0.36 -1.09 0.74 -1.24 -1.89 119.66 113.69 2gk1 s GLN 126 Ca -0.05 0.79 -0.10 0.00 0.05 0.00 0.00 55.36 56.05 2gk1 s GLN 126 Cb 0.06 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.35 2gk1 s GLN 126 CO 0.53 -0.11 0.18 -1.17 -0.55 0.00 0.00 175.29 174.17 2gk1 s LEU 127 N 0.85 4.52 -0.15 3.68 2.96 -0.45 0.04 118.68 130.13 2gk1 s LEU 127 Ca -0.05 -0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.71 2gk1 s LEU 127 Cb -0.05 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2gk1 s LEU 127 CO -0.07 -0.33 0.81 -0.76 -1.32 0.00 0.00 176.35 174.68 2gk1 s LEU 128 N 1.55 4.20 -0.35 -0.68 1.43 -0.25 -2.49 118.68 122.09 2gk1 s LEU 128 Ca 0.02 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2gk1 s LEU 128 Cb -0.19 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 2gk1 s LEU 128 CO 0.06 -0.35 0.38 -0.69 0.23 0.00 0.00 176.35 175.98 2gk1 s VAL 129 N 1.92 5.15 -0.21 -1.59 1.01 -0.05 -0.39 120.40 126.23 2gk1 s VAL 129 Ca 0.38 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 2gk1 s VAL 129 Cb -0.17 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2gk1 s VAL 129 CO 0.14 -0.14 -0.03 -0.55 0.00 0.00 0.00 175.10 174.52 2gk1 s SER 130 N 1.74 4.50 -0.23 3.32 0.15 0.42 -1.85 113.70 121.75 2gk1 s SER 130 Ca 0.12 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 2gk1 s SER 130 Cb -0.16 -1.77 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 2gk1 s SER 130 CO 0.12 0.03 0.14 -0.63 1.20 0.00 0.00 173.24 174.10 2gk1 s ILE 131 N 1.21 5.32 -0.12 6.45 -1.09 -1.26 -1.17 121.20 130.54 2gk1 s ILE 131 Ca 0.03 0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.56 2gk1 s ILE 131 Cb -0.14 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2gk1 s ILE 131 CO -0.00 0.38 -0.02 0.74 -1.23 0.00 0.00 174.94 174.80 2gk1 h THR 132 N 4.93 0.09 -1.51 2.92 2.02 -1.37 -2.60 112.91 117.40 2gk1 h THR 132 Ca -0.39 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2gk1 h THR 132 Cb 1.16 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2gk1 h THR 132 CO 0.68 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.78 2gk1 n LEU 133 N -4.71 0.00 -4.68 2.58 4.77 -0.41 -4.70 117.00 109.85 2gk1 n LEU 133 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2gk1 n LEU 133 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2gk1 n LEU 133 CO 0.05 -0.22 1.26 -1.58 -1.33 0.00 0.00 177.39 175.58 2gk1 s GLN 134 N -1.23 4.22 0.41 3.23 0.74 -1.26 -4.61 119.66 121.17 2gk1 s GLN 134 Ca 0.00 2.14 0.09 0.00 0.05 0.00 0.00 55.36 57.65 2gk1 s GLN 134 Cb 0.00 -3.71 0.88 0.00 1.10 0.00 0.00 33.01 31.28 2gk1 s GLN 134 CO 0.00 -0.71 2.00 0.66 -0.55 0.00 0.00 175.29 176.69 2gk1 h SER 135 N 8.50 0.29 -2.73 6.67 4.64 -1.83 -3.45 113.55 125.64 2gk1 h SER 135 Ca -0.39 -0.03 -0.41 0.00 -0.47 0.00 0.00 61.79 60.48 2gk1 h SER 135 Cb 1.18 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 2gk1 h SER 135 CO 0.93 0.32 -0.51 -0.62 -0.87 0.00 0.00 176.83 176.07 2gk1 n GLU 136 N -4.39 -1.62 -0.21 4.77 1.02 -1.26 -2.02 120.64 116.92 2gk1 n GLU 136 Ca 0.00 1.02 0.01 0.00 -0.02 0.00 0.00 57.16 58.18 2gk1 n GLU 136 Cb 0.16 -5.64 0.13 0.00 -0.02 0.00 0.00 31.44 26.07 2gk1 n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gk1 n ASP 138 N -5.06 5.00 -4.87 0.00 8.00 -1.26 -4.71 116.55 113.65 2gk1 n ASP 138 Ca 0.10 -2.81 -0.21 0.00 0.71 0.00 0.00 54.79 52.59 2gk1 n ASP 138 Cb 0.33 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 2gk1 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gk1 s ALA 139 N -2.51 3.90 0.02 2.24 0.00 -0.90 -5.12 121.76 119.39 2gk1 s ALA 139 Ca 0.46 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 2gk1 s ALA 139 Cb 0.36 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 2gk1 s ALA 139 CO 0.13 -0.00 0.41 -0.06 0.00 0.00 0.00 175.76 176.24 2gk1 s PHE 140 N -2.29 3.70 0.31 0.00 0.08 -1.26 -5.05 117.98 113.47 2gk1 s PHE 140 Ca 0.42 0.95 -0.28 0.00 0.12 0.00 0.00 56.93 58.13 2gk1 s PHE 140 Cb -0.06 -2.26 -0.09 0.00 -0.57 0.00 0.00 43.02 40.03 2gk1 s PHE 140 CO 0.27 0.62 1.13 -1.25 -0.10 0.00 0.00 175.22 175.89 2gk1 s PRO 141 N -1.26 4.49 0.00 0.24 0.04 -1.26 -5.05 135.00 132.19 2gk1 s PRO 141 Ca 0.26 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2gk1 s PRO 141 Cb -0.16 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2gk1 s PRO 141 CO 0.14 0.06 0.00 0.27 0.04 0.00 0.00 177.00 177.51 2gk1 n ASN 142 N 0.88 1.03 0.14 6.66 0.23 -1.26 -4.73 115.26 118.21 2gk1 n ASN 142 Ca 0.00 -0.74 -0.01 0.00 -0.53 0.00 0.00 54.58 53.31 2gk1 n ASN 142 Cb 0.45 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.32 2gk1 n ASN 142 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2gk1 h ILE 143 N 0.38 1.40 -0.93 1.53 6.09 -1.97 -3.22 117.51 120.79 2gk1 h ILE 143 Ca 0.00 -2.13 -0.62 0.00 -1.37 0.00 0.00 64.86 60.73 2gk1 h ILE 143 Cb 0.00 2.16 -0.26 0.00 0.47 0.00 0.00 36.82 39.19 2gk1 h ILE 143 CO 0.00 0.60 0.80 -1.54 -3.07 0.00 0.00 178.15 174.95 2gk1 n SER 144 N -3.75 7.50 -4.56 2.19 3.41 -1.26 -4.88 113.62 112.29 2gk1 n SER 144 Ca -0.01 -3.67 -0.39 0.00 -0.26 0.00 0.00 58.87 54.55 2gk1 n SER 144 Cb 0.62 -1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.47 2gk1 n SER 144 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2gk1 s SER 145 N -1.47 5.96 -0.18 4.04 0.01 -1.22 -5.03 113.70 115.81 2gk1 s SER 145 Ca 0.59 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.39 2gk1 s SER 145 Cb 0.46 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.55 2gk1 s SER 145 CO -0.02 -0.11 1.57 -0.62 0.41 0.00 0.00 173.24 174.47 2gk1 s ASP 146 N 1.73 6.52 0.00 2.44 -1.08 -1.26 -4.87 116.67 120.15 2gk1 s ASP 146 Ca 0.07 1.75 0.15 0.00 -0.52 0.00 0.00 52.55 53.99 2gk1 s ASP 146 Cb -0.16 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 38.88 2gk1 s ASP 146 CO 0.10 -1.12 0.96 -0.62 0.52 0.00 0.00 175.17 175.01 2gk1 n GLU 147 N 7.41 1.07 -2.00 4.34 1.02 -1.26 -3.84 120.64 127.38 2gk1 n GLU 147 Ca 0.18 -1.37 -0.36 0.00 -0.02 0.00 0.00 57.16 55.59 2gk1 n GLU 147 Cb 0.45 -1.28 0.03 0.00 -0.02 0.00 0.00 31.44 30.62 2gk1 n GLU 147 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gk1 s SER 148 N -1.24 5.21 0.02 1.62 1.04 -1.26 -3.96 113.70 115.14 2gk1 s SER 148 Ca 0.17 2.42 -0.20 0.00 0.48 0.00 0.00 55.95 58.83 2gk1 s SER 148 Cb 0.12 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.68 2gk1 s SER 148 CO 0.19 -1.58 0.44 -0.72 0.98 0.00 0.00 173.24 172.55 2gk1 s TYR 149 N -1.56 -0.32 -0.08 5.02 1.13 -0.40 -4.13 117.35 117.00 2gk1 s TYR 149 Ca 0.77 0.38 0.05 0.00 -1.41 0.00 0.00 57.07 56.86 2gk1 s TYR 149 Cb -0.31 0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2gk1 s TYR 149 CO 0.34 -0.56 -0.23 0.95 -2.51 0.00 0.00 175.55 173.54 2gk1 s THR 150 N -2.11 2.15 -0.19 -3.49 -4.23 0.48 -1.70 115.64 106.56 2gk1 s THR 150 Ca -0.07 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2gk1 s THR 150 Cb -0.01 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 72.06 2gk1 s THR 150 CO 0.00 0.56 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.31 2gk1 s LEU 151 N 0.09 2.22 -0.19 4.79 2.96 0.54 -0.85 118.68 128.24 2gk1 s LEU 151 Ca -0.11 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 2gk1 s LEU 151 Cb -0.16 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2gk1 s LEU 151 CO 0.06 -0.12 0.06 -0.76 -1.32 0.00 0.00 176.35 174.28 2gk1 s LEU 152 N 1.39 3.77 -0.25 -0.68 1.43 0.14 -0.31 118.68 124.18 2gk1 s LEU 152 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2gk1 s LEU 152 Cb -0.16 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2gk1 s LEU 152 CO -0.09 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.86 2gk1 s VAL 153 N 0.54 2.55 0.25 -1.59 1.01 -0.75 -1.07 120.40 121.34 2gk1 s VAL 153 Ca 0.03 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.61 2gk1 s VAL 153 Cb -0.13 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2gk1 s VAL 153 CO 0.01 0.16 0.61 -0.54 0.00 0.00 0.00 175.10 175.34 2gk1 s LYS 154 N 1.25 1.62 0.22 2.72 1.02 -1.26 -1.96 119.74 123.34 2gk1 s LYS 154 Ca -0.02 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.94 2gk1 s LYS 154 Cb -0.17 0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 37.65 2gk1 s LYS 154 CO -0.06 -0.71 0.44 -1.83 -0.92 0.00 0.00 175.35 172.27 2gk1 s GLU 155 N -3.92 3.58 0.00 1.68 -1.05 -1.26 -3.25 118.70 114.47 2gk1 s GLU 155 Ca 0.13 -0.17 0.19 0.00 -0.15 0.00 0.00 54.97 54.97 2gk1 s GLU 155 Cb -0.03 -2.78 0.63 0.00 -0.44 0.00 0.00 34.13 31.51 2gk1 s GLU 155 CO 0.04 0.35 1.48 -0.35 0.95 0.00 0.00 175.26 177.73 2gk1 n PRO 156 N -0.59 1.88 -3.61 -4.83 -0.05 -1.26 -4.96 135.00 121.57 2gk1 n PRO 156 Ca -0.03 -1.33 -0.25 0.00 -0.05 0.00 0.00 63.50 61.84 2gk1 n PRO 156 Cb 0.53 -1.39 -0.17 0.00 -0.05 0.00 0.00 33.50 32.42 2gk1 n PRO 156 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2gk1 s VAL 157 N -1.69 -0.10 0.43 0.52 1.01 -1.20 -1.36 120.40 118.01 2gk1 s VAL 157 Ca 0.32 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 2gk1 s VAL 157 Cb 0.17 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 2gk1 s VAL 157 CO 0.25 -0.25 1.01 0.00 0.00 0.00 0.00 175.10 176.11 2gk1 s ALA 158 N 2.15 3.01 -0.13 5.51 0.00 0.11 -4.57 121.76 127.84 2gk1 s ALA 158 Ca 0.02 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 2gk1 s ALA 158 Cb -0.16 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2gk1 s ALA 158 CO -0.09 -0.11 -0.05 0.08 0.00 0.00 0.00 175.76 175.59 2gk1 s VAL 159 N -1.92 0.91 -0.11 0.00 1.01 -0.23 -1.09 120.40 118.97 2gk1 s VAL 159 Ca 0.62 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2gk1 s VAL 159 Cb -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2gk1 s VAL 159 CO 0.20 0.25 0.25 -0.22 0.00 0.00 0.00 175.10 175.58 2gk1 s LEU 160 N 1.74 4.34 -0.03 3.92 2.96 0.47 -0.68 118.68 131.41 2gk1 s LEU 160 Ca 0.03 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 2gk1 s LEU 160 Cb -0.14 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.29 2gk1 s LEU 160 CO -0.08 0.26 0.02 -0.75 -1.32 0.00 0.00 176.35 174.49 2gk1 s LYS 161 N -0.40 0.07 -0.14 1.98 2.20 -0.03 -0.44 119.74 122.99 2gk1 s LYS 161 Ca 0.17 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.81 2gk1 s LYS 161 Cb -0.13 -0.37 0.04 0.00 -1.51 0.00 0.00 37.83 35.86 2gk1 s LYS 161 CO 0.06 -0.18 0.42 0.00 -0.36 0.00 0.00 175.35 175.28 2gk1 s ALA 162 N 1.22 -1.03 0.17 3.13 0.00 -0.32 -0.38 121.76 124.55 2gk1 s ALA 162 Ca -0.07 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2gk1 s ALA 162 Cb -0.13 -0.59 0.11 0.00 0.00 0.00 0.00 23.12 22.51 2gk1 s ALA 162 CO -0.03 -0.21 1.67 -0.91 0.00 0.00 0.00 175.76 176.28 2gk1 h ASN 163 N 5.25 -0.35 -1.16 0.00 2.35 -1.87 -1.73 115.58 118.08 2gk1 h ASN 163 Ca -0.27 0.12 -0.65 0.00 -0.55 0.00 0.00 56.30 54.95 2gk1 h ASN 163 Cb 1.18 0.24 -0.13 0.00 0.05 0.00 0.00 38.32 39.66 2gk1 h ASN 163 CO 0.26 -0.12 -0.56 -0.13 -1.65 0.00 0.00 177.43 175.22 2gk1 s ARG 164 N -6.21 2.06 0.33 0.81 1.81 -1.26 -1.28 118.95 115.20 2gk1 s ARG 164 Ca -0.14 -2.21 0.02 0.00 -1.72 0.00 0.00 55.73 51.68 2gk1 s ARG 164 Cb 0.15 -1.61 0.57 0.00 -0.45 0.00 0.00 34.95 33.61 2gk1 s ARG 164 CO 0.71 -0.17 1.91 -0.24 -0.68 0.00 0.00 175.30 176.83 2gk1 h VAL 165 N 1.60 1.19 0.00 3.52 3.04 -1.70 -2.75 116.25 121.14 2gk1 h VAL 165 Ca -0.44 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 2gk1 h VAL 165 Cb 1.27 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2gk1 h VAL 165 CO 0.78 0.23 0.00 -0.50 -1.01 0.00 0.00 177.57 177.07 2gk1 h TRP 166 N 0.70 0.00 0.00 3.17 4.06 -1.84 -0.63 115.95 121.41 2gk1 h TRP 166 Ca 0.17 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.08 2gk1 h TRP 166 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2gk1 h TRP 166 CO 0.01 0.00 -0.14 0.78 -3.56 0.00 0.00 178.44 175.53 2gk1 h GLY 167 N 1.57 0.10 0.81 1.49 0.00 -1.59 -2.54 103.07 102.91 2gk1 h GLY 167 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.26 2gk1 h GLY 167 CO 0.00 0.16 0.50 0.00 0.00 0.00 0.00 176.54 177.19 2gk1 h ALA 168 N 0.21 1.91 0.33 3.60 0.00 -1.42 0.31 119.26 124.20 2gk1 h ALA 168 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gk1 h ALA 168 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gk1 h ALA 168 CO 0.03 -0.09 -0.16 -0.07 0.00 0.00 0.00 179.25 178.96 2gk1 h LEU 169 N 0.58 -0.37 -1.18 0.00 3.38 -1.15 -0.70 115.31 115.86 2gk1 h LEU 169 Ca 0.36 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2gk1 h LEU 169 Cb 0.60 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2gk1 h LEU 169 CO -0.13 -0.16 0.08 0.03 0.09 0.00 0.00 178.44 178.34 2gk1 h ARG 170 N -0.57 0.65 -0.27 1.13 2.47 -0.95 -3.07 114.38 113.77 2gk1 h ARG 170 Ca -0.05 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 2gk1 h ARG 170 Cb 0.42 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2gk1 h ARG 170 CO 0.07 0.61 0.06 0.78 0.56 0.00 0.00 179.97 182.06 2gk1 h GLY 171 N 0.87 0.46 0.95 0.04 0.00 -0.29 -2.47 103.07 102.63 2gk1 h GLY 171 Ca 0.14 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2gk1 h GLY 171 CO 0.00 0.28 0.61 1.41 0.00 0.00 0.00 176.54 178.84 2gk1 h LEU 172 N 0.26 1.01 -0.44 3.11 3.38 -1.04 0.21 115.31 121.79 2gk1 h LEU 172 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2gk1 h LEU 172 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2gk1 h LEU 172 CO 0.00 0.69 0.19 -0.08 0.09 0.00 0.00 178.44 179.34 2gk1 h GLU 173 N 1.17 0.64 0.00 1.13 4.57 -1.44 -1.41 114.58 119.24 2gk1 h GLU 173 Ca 0.37 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 2gk1 h GLU 173 Cb 0.02 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2gk1 h GLU 173 CO -0.12 0.57 -0.34 1.15 -1.18 0.00 0.00 179.01 179.09 2gk1 h THR 174 N 0.57 0.91 -0.22 0.32 2.02 -0.87 -2.32 112.91 113.31 2gk1 h THR 174 Ca 0.15 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.85 2gk1 h THR 174 Cb 0.15 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2gk1 h THR 174 CO -0.02 0.34 -0.36 0.15 0.37 0.00 0.00 175.52 176.00 2gk1 h PHE 175 N 0.00 0.79 -0.80 3.16 3.57 -0.16 -2.94 116.94 120.57 2gk1 h PHE 175 Ca -0.00 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.24 2gk1 h PHE 175 Cb 0.78 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 2gk1 h PHE 175 CO 0.00 1.02 0.53 0.66 -2.23 0.00 0.00 178.31 178.29 2gk1 h SER 176 N 0.34 0.89 0.06 0.41 4.64 -1.07 -0.79 113.55 118.03 2gk1 h SER 176 Ca 0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gk1 h SER 176 Cb 0.95 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2gk1 h SER 176 CO 0.08 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 2gk1 n GLN 177 N -4.42 0.25 -0.10 4.77 6.02 -0.89 -2.87 117.38 120.13 2gk1 n GLN 177 Ca 0.09 0.06 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 2gk1 n GLN 177 Cb 0.05 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.72 2gk1 n GLN 177 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gk1 n LEU 178 N -1.09 2.85 -4.77 1.08 4.77 -0.31 -3.38 117.00 116.15 2gk1 n LEU 178 Ca 0.06 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 2gk1 n LEU 178 Cb 0.05 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 2gk1 n LEU 178 CO 0.06 0.82 1.03 -0.69 -1.33 0.00 0.00 177.39 177.28 2gk1 s VAL 179 N -2.40 2.52 0.23 4.08 1.01 -1.14 -4.27 120.40 120.43 2gk1 s VAL 179 Ca -0.26 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 2gk1 s VAL 179 Cb 0.07 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2gk1 s VAL 179 CO 0.47 0.12 0.35 -0.72 0.00 0.00 0.00 175.10 175.32 2gk1 s TYR 180 N -1.07 0.65 -0.11 5.22 1.13 -0.21 -4.90 117.35 118.06 2gk1 s TYR 180 Ca 0.51 -0.96 -0.04 0.00 -1.41 0.00 0.00 57.07 55.17 2gk1 s TYR 180 Cb -0.42 -0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.32 2gk1 s TYR 180 CO 0.55 -0.85 0.03 -0.65 -2.51 0.00 0.00 175.55 172.12 2gk1 s GLN 181 N -4.07 3.27 0.00 -3.49 -0.21 -1.26 0.13 119.66 114.04 2gk1 s GLN 181 Ca 0.28 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.30 2gk1 s GLN 181 Cb 0.02 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.10 2gk1 s GLN 181 CO 0.10 0.60 0.00 -0.40 -2.12 0.00 0.00 175.29 173.47 2gk1 n ASP 182 N 2.47 -0.19 0.33 5.90 5.68 -0.68 -4.82 116.55 125.24 2gk1 n ASP 182 Ca -0.18 -0.69 0.21 0.00 -0.50 0.00 0.00 54.79 53.63 2gk1 n ASP 182 Cb 0.53 0.00 1.13 0.00 -1.14 0.00 0.00 41.12 41.65 2gk1 n ASP 182 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2gk1 h SER 183 N -0.19 0.00 -0.28 -1.12 0.02 -2.00 -2.20 113.55 107.79 2gk1 h SER 183 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gk1 h SER 183 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gk1 h SER 183 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 2gk1 n TYR 184 N -2.99 0.54 -0.13 3.45 4.01 -1.26 -4.95 117.16 115.82 2gk1 n TYR 184 Ca -0.03 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 2gk1 n TYR 184 Cb 0.10 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2gk1 n TYR 184 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gk1 n GLY 185 N 0.07 2.02 3.62 2.72 0.00 -0.83 -4.98 105.19 107.82 2gk1 n GLY 185 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2gk1 n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gk1 s THR 186 N -2.88 3.05 0.00 2.61 2.01 -1.26 -4.59 115.64 114.57 2gk1 s THR 186 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2gk1 s THR 186 Cb 0.00 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 2gk1 s THR 186 CO 0.00 -0.03 2.00 0.49 -0.69 0.00 0.00 174.62 176.39 2gk1 n PHE 187 N 10.32 2.44 -4.18 4.92 3.72 -1.26 -1.69 117.46 131.73 2gk1 n PHE 187 Ca 0.26 -0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 2gk1 n PHE 187 Cb 0.44 -2.79 -0.10 0.00 -0.94 0.00 0.00 39.48 36.09 2gk1 n PHE 187 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2gk1 s THR 188 N 4.86 0.89 -0.27 4.37 2.01 0.35 -2.32 115.64 125.53 2gk1 s THR 188 Ca 0.91 -1.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2gk1 s THR 188 Cb -0.44 -1.51 0.11 0.00 0.01 0.00 0.00 72.50 70.66 2gk1 s THR 188 CO 0.42 -0.68 0.61 -0.51 -0.69 0.00 0.00 174.62 173.77 2gk1 s ILE 189 N -2.92 -0.65 -0.03 1.82 2.07 0.13 -1.04 121.20 120.57 2gk1 s ILE 189 Ca 0.09 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 2gk1 s ILE 189 Cb 0.00 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 2gk1 s ILE 189 CO -0.01 0.01 1.48 0.20 -1.91 0.00 0.00 174.94 174.71 2gk1 s ASN 190 N 2.47 6.78 0.35 4.50 -0.87 -1.26 0.28 114.94 127.19 2gk1 s ASN 190 Ca -0.07 2.12 -0.29 0.00 -1.57 0.00 0.00 52.86 53.06 2gk1 s ASN 190 Cb -0.10 -2.55 -0.12 0.00 -0.02 0.00 0.00 41.25 38.46 2gk1 s ASN 190 CO -0.18 -0.81 1.44 -1.84 -2.57 0.00 0.00 177.10 173.15 2gk1 n GLU 191 N 6.12 2.49 -1.03 -0.60 0.28 -0.33 -4.82 120.64 122.75 2gk1 n GLU 191 Ca 0.15 0.87 0.00 0.00 -0.16 0.00 0.00 57.16 58.02 2gk1 n GLU 191 Cb 0.43 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.73 2gk1 n GLU 191 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2gk1 n SER 192 N 0.92 0.00 -3.66 -1.84 3.41 -0.83 -2.90 113.62 108.72 2gk1 n SER 192 Ca 0.04 -0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 57.60 2gk1 n SER 192 Cb 0.37 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 2gk1 n SER 192 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gk1 s THR 193 N -2.92 -0.56 -0.15 6.66 2.01 -1.16 -1.80 115.64 117.71 2gk1 s THR 193 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2gk1 s THR 193 Cb 0.00 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2gk1 s THR 193 CO 0.00 0.07 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.16 2gk1 s ILE 194 N 2.45 2.03 -0.25 1.82 1.09 0.58 -1.98 121.20 126.93 2gk1 s ILE 194 Ca -0.03 -0.95 -0.03 0.00 -1.10 0.00 0.00 60.65 58.55 2gk1 s ILE 194 Cb -0.11 -1.81 0.02 0.00 -1.06 0.00 0.00 42.46 39.50 2gk1 s ILE 194 CO -0.13 0.54 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.58 2gk1 s ILE 195 N 0.97 3.06 0.02 2.92 1.01 -0.44 -0.34 121.20 128.41 2gk1 s ILE 195 Ca -0.03 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.69 2gk1 s ILE 195 Cb -0.15 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2gk1 s ILE 195 CO -0.05 0.20 -0.04 -0.62 0.00 0.00 0.00 174.94 174.43 2gk1 s ASP 196 N 1.36 0.44 -0.07 3.58 2.15 -0.69 -0.34 116.67 123.11 2gk1 s ASP 196 Ca 0.01 -0.42 -0.29 0.00 0.43 0.00 0.00 52.55 52.28 2gk1 s ASP 196 Cb -0.16 0.05 0.10 0.00 -0.30 0.00 0.00 42.92 42.61 2gk1 s ASP 196 CO -0.03 -0.20 0.87 -0.94 -0.17 0.00 0.00 175.17 174.69 2gk1 s SER 197 N -1.20 -0.45 0.35 -0.34 1.04 -1.26 -1.27 113.70 110.56 2gk1 s SER 197 Ca -0.11 0.33 -0.27 0.00 0.48 0.00 0.00 55.95 56.39 2gk1 s SER 197 Cb -0.08 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.35 2gk1 s SER 197 CO -0.00 -0.53 1.16 -2.16 0.98 0.00 0.00 173.24 172.69 2gk1 s PRO 198 N -1.89 4.31 0.42 4.02 0.04 -1.26 -4.71 135.00 135.93 2gk1 s PRO 198 Ca -0.02 1.87 0.23 0.00 0.04 0.00 0.00 61.00 63.12 2gk1 s PRO 198 Cb -0.01 -2.90 0.49 0.00 0.04 0.00 0.00 34.50 32.13 2gk1 s PRO 198 CO -0.01 -0.11 1.65 -0.09 0.04 0.00 0.00 177.00 178.49 2gk1 h ARG 199 N 3.14 0.00 -4.33 4.56 2.43 -1.31 -3.45 114.38 115.41 2gk1 h ARG 199 Ca -0.48 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.43 2gk1 h ARG 199 Cb 1.22 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.54 2gk1 h ARG 199 CO 0.64 0.14 -0.73 -0.06 -1.51 0.00 0.00 179.97 178.45 2gk1 s PHE 200 N -3.27 0.50 -0.35 2.20 0.08 -0.78 -5.01 117.98 111.35 2gk1 s PHE 200 Ca 0.05 -0.38 0.23 0.00 0.12 0.00 0.00 56.93 56.95 2gk1 s PHE 200 Cb 0.07 -0.31 0.06 0.00 -0.57 0.00 0.00 43.02 42.27 2gk1 s PHE 200 CO 0.66 -0.08 1.07 -1.13 -0.10 0.00 0.00 175.22 175.65 2gk1 n SER 201 N 1.94 0.77 -4.14 1.36 3.41 -0.73 -4.71 113.62 111.52 2gk1 n SER 201 Ca -0.20 0.22 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 2gk1 n SER 201 Cb 0.56 0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 64.90 2gk1 n SER 201 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2gk1 s HIS 202 N -3.31 3.50 -0.29 7.33 5.65 -0.39 -4.95 115.29 122.83 2gk1 s HIS 202 Ca 0.01 -2.41 0.01 0.00 0.25 0.00 0.00 55.06 52.92 2gk1 s HIS 202 Cb 0.11 -3.29 0.08 0.00 -1.18 0.00 0.00 32.58 28.30 2gk1 s HIS 202 CO 0.78 -0.93 0.02 1.03 -0.65 0.00 0.00 174.74 174.99 2gk1 s ARG 203 N 0.71 1.33 0.06 2.88 0.52 -1.26 -1.82 118.95 121.37 2gk1 s ARG 203 Ca 0.11 -1.29 -0.05 0.00 -0.52 0.00 0.00 55.73 53.98 2gk1 s ARG 203 Cb -0.22 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 2gk1 s ARG 203 CO -0.03 -0.81 0.09 0.20 0.02 0.00 0.00 175.30 174.77 2gk1 s GLY 204 N 1.30 0.23 0.04 -3.53 0.00 -1.16 -0.03 107.32 104.18 2gk1 s GLY 204 Ca 0.04 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.05 2gk1 s GLY 204 CO -0.12 -0.93 -0.19 -0.42 0.00 0.00 0.00 173.10 171.44 2gk1 s ILE 205 N -3.47 2.68 -0.28 0.90 -1.09 -0.76 -2.71 121.20 116.46 2gk1 s ILE 205 Ca 0.02 -1.20 -0.05 0.00 -2.23 0.00 0.00 60.65 57.19 2gk1 s ILE 205 Cb 0.04 -2.11 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 2gk1 s ILE 205 CO -0.09 0.36 0.02 -0.22 -1.23 0.00 0.00 174.94 173.78 2gk1 s LEU 206 N -1.37 3.57 0.03 2.97 0.20 -1.04 -0.60 118.68 122.44 2gk1 s LEU 206 Ca 0.14 -0.78 0.01 0.00 0.69 0.00 0.00 54.13 54.19 2gk1 s LEU 206 Cb -0.10 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2gk1 s LEU 206 CO 0.04 -0.16 0.08 0.27 -0.29 0.00 0.00 176.35 176.29 2gk1 s ILE 207 N 1.42 4.65 -0.36 6.68 -4.36 -0.57 -2.28 121.20 126.39 2gk1 s ILE 207 Ca 0.01 -0.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.87 2gk1 s ILE 207 Cb -0.17 -3.17 0.10 0.00 1.25 0.00 0.00 42.46 40.47 2gk1 s ILE 207 CO -0.00 0.26 0.09 -0.62 0.24 0.00 0.00 174.94 174.91 2gk1 s ASP 208 N -1.99 4.93 -0.13 4.36 2.15 -1.25 -1.33 116.67 123.40 2gk1 s ASP 208 Ca 0.25 -2.03 0.17 0.00 0.43 0.00 0.00 52.55 51.37 2gk1 s ASP 208 Cb -0.12 -1.70 0.70 0.00 -0.30 0.00 0.00 42.92 41.50 2gk1 s ASP 208 CO 0.17 -0.42 1.61 0.35 -0.17 0.00 0.00 175.17 176.71 2gk1 n THR 209 N 4.40 1.99 -0.06 1.71 -2.24 -1.19 -4.19 114.28 114.70 2gk1 n THR 209 Ca 0.00 -1.29 -0.08 0.00 -2.27 0.00 0.00 64.05 60.41 2gk1 n THR 209 Cb 0.42 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 2gk1 n THR 209 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2gk1 n SER 210 N 0.85 3.01 -0.11 3.42 2.88 -1.25 -3.76 113.62 118.67 2gk1 n SER 210 Ca 0.25 -0.05 -0.06 0.00 -1.33 0.00 0.00 58.87 57.68 2gk1 n SER 210 Cb 0.92 -0.03 0.12 0.00 -0.75 0.00 0.00 64.21 64.47 2gk1 n SER 210 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2gk1 h ARG 211 N 0.00 0.81 -3.55 -1.46 -0.00 -1.86 -3.17 114.38 105.15 2gk1 h ARG 211 Ca -0.26 -0.26 -0.23 0.00 -0.50 0.00 0.00 59.98 58.72 2gk1 h ARG 211 Cb 1.44 -0.07 -0.29 0.00 0.00 0.00 0.00 29.97 31.05 2gk1 h ARG 211 CO -0.03 0.87 -0.66 -1.01 0.00 0.00 0.00 179.97 179.15 2gk1 s HIS 212 N -4.83 -0.06 0.11 3.04 3.76 -1.26 -4.91 115.29 111.14 2gk1 s HIS 212 Ca -0.10 0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2gk1 s HIS 212 Cb 0.14 -0.02 -0.06 0.00 1.11 0.00 0.00 32.58 33.75 2gk1 s HIS 212 CO 0.83 -0.05 1.09 -0.47 -0.85 0.00 0.00 174.74 175.29 2gk1 s TYR 213 N 0.28 3.58 -0.20 1.40 5.04 -1.25 -3.99 117.35 122.22 2gk1 s TYR 213 Ca -0.02 1.55 -0.06 0.00 -2.44 0.00 0.00 57.07 56.10 2gk1 s TYR 213 Cb -0.03 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 38.98 2gk1 s TYR 213 CO -0.01 -0.62 0.02 -0.51 -1.34 0.00 0.00 175.55 173.10 2gk1 s LEU 214 N 0.33 3.44 0.46 6.97 1.43 -1.26 -4.58 118.68 125.48 2gk1 s LEU 214 Ca 0.52 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 2gk1 s LEU 214 Cb -0.27 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2gk1 s LEU 214 CO 0.31 0.09 1.18 -2.65 0.23 0.00 0.00 176.35 175.52 2gk1 n PRO 215 N 4.05 1.63 -0.12 1.29 -0.02 -1.26 -4.86 135.00 135.71 2gk1 n PRO 215 Ca -0.17 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 2gk1 n PRO 215 Cb 0.52 -2.30 0.41 0.00 -0.02 0.00 0.00 33.50 32.11 2gk1 n PRO 215 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gk1 h VAL 216 N 1.67 0.99 -0.63 -1.45 2.07 -1.98 -2.37 116.25 114.55 2gk1 h VAL 216 Ca -0.48 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 66.97 2gk1 h VAL 216 Cb 1.31 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.30 2gk1 h VAL 216 CO 0.58 0.11 -0.07 0.11 0.02 0.00 0.00 177.57 178.32 2gk1 h LYS 217 N 0.60 0.06 -0.19 1.57 1.57 -2.00 -1.51 116.57 116.68 2gk1 h LYS 217 Ca 0.28 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 2gk1 h LYS 217 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2gk1 h LYS 217 CO -0.09 0.04 -0.66 0.97 -0.57 0.00 0.00 179.45 179.14 2gk1 h ILE 218 N 0.06 1.30 -0.91 1.86 2.10 -1.80 -1.87 117.51 118.25 2gk1 h ILE 218 Ca 0.32 -1.89 0.03 0.00 1.08 0.00 0.00 64.86 64.39 2gk1 h ILE 218 Cb 0.51 1.86 -0.05 0.00 -1.09 0.00 0.00 36.82 38.05 2gk1 h ILE 218 CO -0.58 0.60 0.59 0.40 -1.08 0.00 0.00 178.15 178.08 2gk1 h ILE 219 N 0.52 1.17 -0.46 2.19 2.04 -1.37 0.96 117.51 122.56 2gk1 h ILE 219 Ca -0.02 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 2gk1 h ILE 219 Cb 1.26 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2gk1 h ILE 219 CO 0.13 0.21 -0.17 -0.07 0.00 0.00 0.00 178.15 178.25 2gk1 h LEU 220 N 1.17 0.95 -1.01 1.44 3.38 -1.24 -2.43 115.31 117.58 2gk1 h LEU 220 Ca 0.36 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2gk1 h LEU 220 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2gk1 h LEU 220 CO -0.11 1.12 0.24 0.11 0.09 0.00 0.00 178.44 179.89 2gk1 h LYS 221 N 0.77 0.95 0.00 1.13 1.57 -0.87 -1.72 116.57 118.41 2gk1 h LYS 221 Ca 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2gk1 h LYS 221 Cb 0.74 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2gk1 h LYS 221 CO 0.06 0.79 -0.08 1.15 -0.57 0.00 0.00 179.45 180.80 2gk1 h THR 222 N 0.93 0.45 0.02 -0.16 2.02 -0.60 -0.80 112.91 114.78 2gk1 h THR 222 Ca 0.22 -0.38 -0.21 0.00 0.77 0.00 0.00 66.41 66.81 2gk1 h THR 222 Cb 0.21 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2gk1 h THR 222 CO -0.02 0.07 -0.96 -0.07 0.37 0.00 0.00 175.52 174.91 2gk1 h LEU 223 N 0.00 0.15 -0.20 2.58 3.38 -0.84 -2.09 115.31 118.30 2gk1 h LEU 223 Ca -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2gk1 h LEU 223 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2gk1 h LEU 223 CO 0.01 1.03 -0.04 0.44 0.09 0.00 0.00 178.44 179.97 2gk1 h ASP 224 N 0.05 0.37 -0.85 -0.43 3.32 -0.72 -1.25 116.42 116.91 2gk1 h ASP 224 Ca -0.04 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.70 2gk1 h ASP 224 Cb 1.65 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 41.05 2gk1 h ASP 224 CO 0.14 0.64 0.54 0.00 -1.72 0.00 0.00 179.24 178.84 2gk1 h ALA 225 N 0.74 1.14 -0.71 3.45 0.00 -1.32 -2.45 119.26 120.11 2gk1 h ALA 225 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2gk1 h ALA 225 Cb 0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2gk1 h ALA 225 CO 0.02 0.33 0.32 0.52 0.00 0.00 0.00 179.25 180.44 2gk1 h MET 226 N 1.02 1.04 -0.55 0.00 2.86 -1.17 -2.30 114.93 115.82 2gk1 h MET 226 Ca 0.35 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 2gk1 h MET 226 Cb 0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2gk1 h MET 226 CO -0.14 0.83 0.14 0.00 1.06 0.00 0.00 176.91 178.80 2gk1 h ALA 227 N 1.15 1.21 -0.54 6.32 0.00 -0.94 0.31 119.26 126.77 2gk1 h ALA 227 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2gk1 h ALA 227 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2gk1 h ALA 227 CO -0.03 0.55 -0.01 0.74 0.00 0.00 0.00 179.25 180.50 2gk1 h PHE 228 N 0.81 1.06 -0.11 0.00 0.04 -1.07 -2.97 116.94 114.70 2gk1 h PHE 228 Ca 0.18 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2gk1 h PHE 228 Cb 0.29 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2gk1 h PHE 228 CO 0.02 0.96 0.00 0.09 -0.60 0.00 0.00 178.31 178.78 2gk1 n ASN 229 N -4.26 1.36 -2.41 2.17 3.02 -0.90 -4.74 115.26 109.50 2gk1 n ASN 229 Ca 0.02 -1.61 -0.19 0.00 -0.03 0.00 0.00 54.58 52.76 2gk1 n ASN 229 Cb 0.34 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 2gk1 n ASN 229 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2gk1 n LYS 230 N 0.11 -3.06 -1.48 3.52 5.02 -0.03 -4.62 118.16 117.61 2gk1 n LYS 230 Ca 0.17 0.84 -0.31 0.00 -2.02 0.00 0.00 58.31 56.98 2gk1 n LYS 230 Cb 0.29 -5.41 0.06 0.00 -0.02 0.00 0.00 35.03 29.95 2gk1 n LYS 230 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2gk1 s PHE 231 N -3.02 2.95 0.00 2.13 0.08 -0.43 -4.98 117.98 114.71 2gk1 s PHE 231 Ca 0.15 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2gk1 s PHE 231 Cb -0.07 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2gk1 s PHE 231 CO 0.18 -1.40 0.36 0.27 -0.10 0.00 0.00 175.22 174.53 2gk1 n ASN 232 N -3.23 0.05 -3.87 1.36 0.23 0.96 -4.62 115.26 106.14 2gk1 n ASN 232 Ca 0.08 -1.02 -0.19 0.00 -0.53 0.00 0.00 54.58 52.92 2gk1 n ASN 232 Cb 0.53 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.07 2gk1 n ASN 232 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2gk1 s VAL 233 N -0.02 0.45 -0.45 3.53 1.01 -0.21 -0.26 120.40 124.45 2gk1 s VAL 233 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2gk1 s VAL 233 Cb 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 36.38 36.00 2gk1 s VAL 233 CO 0.00 0.21 0.27 -0.22 0.00 0.00 0.00 175.10 175.36 2gk1 s LEU 234 N 0.96 5.39 -0.82 3.92 2.96 0.10 -1.82 118.68 129.36 2gk1 s LEU 234 Ca -0.11 -2.10 -0.25 0.00 -0.22 0.00 0.00 54.13 51.46 2gk1 s LEU 234 Cb -0.14 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 2gk1 s LEU 234 CO -0.00 -0.57 1.68 -2.28 -1.32 0.00 0.00 176.35 173.86 2gk1 s HIS 235 N 1.06 2.03 -0.84 5.38 5.65 0.23 -0.31 115.29 128.49 2gk1 s HIS 235 Ca 0.09 0.19 -0.21 0.00 0.25 0.00 0.00 55.06 55.38 2gk1 s HIS 235 Cb -0.23 -4.33 0.10 0.00 -1.18 0.00 0.00 32.58 26.94 2gk1 s HIS 235 CO -0.03 -2.00 1.11 -0.46 -0.65 0.00 0.00 174.74 172.70 2gk1 s TRP 236 N 7.76 2.88 -1.15 3.88 -0.11 0.16 -1.51 118.94 130.87 2gk1 s TRP 236 Ca 0.57 -1.01 -0.20 0.00 1.22 0.00 0.00 56.10 56.67 2gk1 s TRP 236 Cb -0.07 -4.34 -0.05 0.00 -1.50 0.00 0.00 33.47 27.51 2gk1 s TRP 236 CO 0.06 -1.60 1.93 1.58 -4.62 0.00 0.00 176.95 174.30 2gk1 n HIS 237 N 7.26 3.09 0.06 5.86 -0.00 -0.44 -1.38 115.22 129.66 2gk1 n HIS 237 Ca 0.15 -2.13 -0.06 0.00 -0.00 0.00 0.00 57.72 55.68 2gk1 n HIS 237 Cb 0.48 -2.37 0.12 0.00 -0.00 0.00 0.00 29.99 28.23 2gk1 n HIS 237 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2gk1 h ILE 238 N 5.21 1.34 -3.68 3.57 2.10 -1.77 -3.15 117.51 121.13 2gk1 h ILE 238 Ca 0.39 -1.79 -0.41 0.00 1.08 0.00 0.00 64.86 64.12 2gk1 h ILE 238 Cb 0.80 1.82 -0.19 0.00 -1.09 0.00 0.00 36.82 38.16 2gk1 h ILE 238 CO 1.59 0.54 -0.76 0.68 -1.08 0.00 0.00 178.15 179.12 2gk1 s VAL 239 N -3.96 1.28 0.00 2.19 -7.23 -1.26 -3.94 120.40 107.48 2gk1 s VAL 239 Ca -0.05 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2gk1 s VAL 239 Cb 0.12 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2gk1 s VAL 239 CO 0.81 -0.37 0.00 -0.67 -0.31 0.00 0.00 175.10 174.55 2gk1 n ASP 240 N 0.71 0.00 -0.20 4.85 -0.08 -1.18 -4.48 116.55 116.16 2gk1 n ASP 240 Ca -0.17 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.06 2gk1 n ASP 240 Cb 0.56 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.14 2gk1 n ASP 240 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2gk1 h ASP 241 N 0.00 0.94 0.10 1.67 3.32 -1.92 -3.33 116.42 117.20 2gk1 h ASP 241 Ca 0.00 -0.17 -0.21 0.00 0.02 0.00 0.00 57.03 56.67 2gk1 h ASP 241 Cb 0.00 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.33 2gk1 h ASP 241 CO 0.00 0.89 -0.88 1.56 -1.72 0.00 0.00 179.24 179.09 2gk1 h GLN 242 N 0.96 0.42 -2.84 3.56 7.50 -1.92 -3.03 115.11 119.76 2gk1 h GLN 242 Ca 0.21 -0.58 -0.08 0.00 0.50 0.00 0.00 58.65 58.69 2gk1 h GLN 242 Cb 0.31 0.20 -0.18 0.00 0.05 0.00 0.00 27.48 27.85 2gk1 h GLN 242 CO -0.00 1.24 -0.09 -1.54 -1.50 0.00 0.00 178.83 176.93 2gk1 s SER 243 N -7.03 -0.33 -0.56 1.46 1.04 -1.20 -4.81 113.70 102.27 2gk1 s SER 243 Ca -0.12 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2gk1 s SER 243 Cb 0.03 0.42 0.14 0.00 0.10 0.00 0.00 66.02 66.71 2gk1 s SER 243 CO 0.86 -0.60 0.34 0.12 0.98 0.00 0.00 173.24 174.93 2gk1 s PHE 244 N -1.94 3.34 -0.28 5.02 2.19 0.37 -3.12 117.98 123.57 2gk1 s PHE 244 Ca -0.09 -2.91 0.20 0.00 0.33 0.00 0.00 56.93 54.46 2gk1 s PHE 244 Cb -0.02 -3.03 0.12 0.00 -1.31 0.00 0.00 43.02 38.78 2gk1 s PHE 244 CO 0.02 -0.81 1.31 -1.00 1.83 0.00 0.00 175.22 176.56 2gk1 h PRO 245 N 6.88 0.00 -6.40 10.12 0.13 -1.81 -3.19 132.00 137.73 2gk1 h PRO 245 Ca -0.05 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.54 2gk1 h PRO 245 Cb 0.93 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.07 2gk1 h PRO 245 CO 0.69 0.15 0.97 -0.47 -0.23 0.00 0.00 178.00 179.12 2gk1 s TYR 246 N -3.16 2.45 -0.16 1.56 5.04 -1.26 -1.00 117.35 120.83 2gk1 s TYR 246 Ca 0.03 0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.85 2gk1 s TYR 246 Cb 0.07 -3.88 -0.02 0.00 0.35 0.00 0.00 41.96 38.48 2gk1 s TYR 246 CO 0.74 -3.51 0.73 -1.14 -1.34 0.00 0.00 175.55 171.03 2gk1 s GLN 247 N 2.81 4.30 -0.24 4.97 0.74 -0.95 -4.31 119.66 126.98 2gk1 s GLN 247 Ca 0.71 0.85 -0.07 0.00 0.05 0.00 0.00 55.36 56.90 2gk1 s GLN 247 Cb -0.37 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2gk1 s GLN 247 CO 0.30 -0.21 0.05 0.45 -0.55 0.00 0.00 175.29 175.33 2gk1 s SER 248 N 1.09 4.98 0.15 6.67 0.15 -1.26 -4.58 113.70 120.91 2gk1 s SER 248 Ca 0.35 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.56 2gk1 s SER 248 Cb -0.17 -1.89 0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2gk1 s SER 248 CO 0.13 -0.02 1.65 0.40 1.20 0.00 0.00 173.24 176.59 2gk1 h ILE 249 N 5.55 0.48 -0.01 6.45 2.04 -1.96 -2.97 117.51 127.08 2gk1 h ILE 249 Ca -0.39 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2gk1 h ILE 249 Cb 1.17 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2gk1 h ILE 249 CO 0.59 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 179.27 2gk1 h THR 250 N -0.15 1.52 -3.36 -0.27 2.02 -1.97 -3.38 112.91 107.33 2gk1 h THR 250 Ca 0.16 -1.83 -0.67 0.00 0.77 0.00 0.00 66.41 64.84 2gk1 h THR 250 Cb 0.39 2.66 -0.38 0.00 -1.74 0.00 0.00 68.15 69.07 2gk1 h THR 250 CO -0.39 0.50 -0.44 -0.36 0.37 0.00 0.00 175.52 175.21 2gk1 s PHE 251 N -3.30 3.47 0.49 3.16 0.08 -1.23 -4.96 117.98 115.68 2gk1 s PHE 251 Ca -0.16 -3.05 0.17 0.00 0.12 0.00 0.00 56.93 54.01 2gk1 s PHE 251 Cb 0.01 -2.99 1.21 0.00 -0.57 0.00 0.00 43.02 40.68 2gk1 s PHE 251 CO 0.73 -0.73 2.09 -1.00 -0.10 0.00 0.00 175.22 176.21 2gk1 h PRO 252 N 6.32 0.00 0.00 0.24 0.13 -1.71 -3.12 132.00 133.86 2gk1 h PRO 252 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2gk1 h PRO 252 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2gk1 h PRO 252 CO 0.73 0.08 -0.06 0.93 -0.23 0.00 0.00 178.00 179.46 2gk1 h GLU 253 N 0.00 0.00 -0.95 0.86 4.39 -1.87 -2.84 114.58 114.18 2gk1 h GLU 253 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2gk1 h GLU 253 Cb 0.16 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 2gk1 h GLU 253 CO 0.01 0.06 0.63 -0.07 -1.16 0.00 0.00 179.01 178.48 2gk1 h LEU 254 N 0.00 1.08 0.02 1.33 3.38 -1.78 -1.73 115.31 117.62 2gk1 h LEU 254 Ca -0.00 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 2gk1 h LEU 254 Cb 0.34 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2gk1 h LEU 254 CO 0.01 0.78 -2.30 -1.54 0.09 0.00 0.00 178.44 175.48 2gk1 n SER 255 N -4.39 1.37 0.04 -0.43 3.41 -1.22 -2.94 113.62 109.46 2gk1 n SER 255 Ca 0.11 0.01 0.22 0.00 -0.26 0.00 0.00 58.87 58.95 2gk1 n SER 255 Cb 0.02 -0.08 0.67 0.00 -0.26 0.00 0.00 64.21 64.56 2gk1 n SER 255 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2gk1 h ASN 256 N 0.01 0.00 0.00 4.04 2.35 -1.37 -1.97 115.58 118.64 2gk1 h ASN 256 Ca -0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2gk1 h ASN 256 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2gk1 h ASN 256 CO -0.01 0.00 -0.38 1.17 -1.65 0.00 0.00 177.43 176.56 2gk1 n LYS 257 N -3.53 3.10 0.00 0.81 3.00 -0.66 -4.82 118.16 116.06 2gk1 n LYS 257 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2gk1 n LYS 257 Cb 0.83 -0.63 0.00 0.00 0.00 0.00 0.00 35.03 35.23 2gk1 n LYS 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gk1 n GLY 258 N 1.08 1.66 3.93 3.14 0.00 -1.12 -4.82 105.19 109.06 2gk1 n GLY 258 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2gk1 n GLY 258 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gk1 s SER 259 N -0.74 6.22 0.26 1.61 1.04 -0.76 0.14 113.70 121.47 2gk1 s SER 259 Ca 0.00 0.63 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 2gk1 s SER 259 Cb 0.00 -2.07 0.51 0.00 0.10 0.00 0.00 66.02 64.56 2gk1 s SER 259 CO 0.00 -0.46 1.75 1.88 0.98 0.00 0.00 173.24 177.38 2gk1 h TYR 260 N 0.49 0.66 -2.28 5.02 0.05 -1.86 -3.46 116.97 115.59 2gk1 h TYR 260 Ca -0.48 0.03 0.18 0.00 0.05 0.00 0.00 58.73 58.51 2gk1 h TYR 260 Cb 1.22 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 38.70 2gk1 h TYR 260 CO 0.53 0.13 0.51 -1.54 -1.05 0.00 0.00 178.16 176.74 2gk1 s SER 261 N -5.39 -0.19 0.53 3.88 1.04 -1.26 -5.00 113.70 107.31 2gk1 s SER 261 Ca -0.12 -0.35 0.35 0.00 0.48 0.00 0.00 55.95 56.31 2gk1 s SER 261 Cb 0.21 0.46 1.61 0.00 0.10 0.00 0.00 66.02 68.40 2gk1 s SER 261 CO 0.77 -0.84 2.04 -0.07 0.98 0.00 0.00 173.24 176.12 2gk1 h LEU 262 N 2.00 0.00 0.00 2.42 4.07 -1.90 -0.04 115.31 121.85 2gk1 h LEU 262 Ca -0.24 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.62 2gk1 h LEU 262 Cb 1.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 2gk1 h LEU 262 CO 0.26 0.00 -0.85 0.77 -1.08 0.00 0.00 178.44 177.54 2gk1 h SER 263 N 0.00 0.00 -1.71 -0.43 4.64 -2.00 -3.39 113.55 110.67 2gk1 h SER 263 Ca 0.00 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.55 2gk1 h SER 263 Cb 0.31 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.22 2gk1 h SER 263 CO 0.00 0.40 1.78 1.41 -0.87 0.00 0.00 176.83 179.55 2gk1 n HIS 264 N -3.01 2.72 -3.84 4.77 8.25 -0.03 -4.93 115.22 119.14 2gk1 n HIS 264 Ca -0.02 -2.73 -0.11 0.00 -0.26 0.00 0.00 57.72 54.60 2gk1 n HIS 264 Cb 0.72 -1.75 -0.09 0.00 1.12 0.00 0.00 29.99 29.99 2gk1 n HIS 264 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2gk1 s VAL 265 N -0.68 0.10 -0.37 1.59 1.01 -1.26 -4.47 120.40 116.33 2gk1 s VAL 265 Ca 0.39 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2gk1 s VAL 265 Cb 0.10 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.77 2gk1 s VAL 265 CO 0.01 -0.45 0.13 -0.31 0.00 0.00 0.00 175.10 174.48 2gk1 s TYR 266 N -2.21 3.40 0.58 5.22 1.51 -0.17 -5.01 117.35 120.67 2gk1 s TYR 266 Ca -0.08 -1.95 -0.15 0.00 -1.01 0.00 0.00 57.07 53.88 2gk1 s TYR 266 Cb -0.03 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2gk1 s TYR 266 CO -0.02 -0.86 1.04 0.95 -1.11 0.00 0.00 175.55 175.55 2gk1 s THR 267 N 1.26 4.02 0.19 -0.71 -4.23 -1.26 -2.24 115.64 112.67 2gk1 s THR 267 Ca 0.02 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.43 2gk1 s THR 267 Cb -0.21 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.43 2gk1 s THR 267 CO -0.01 -0.59 0.99 -2.65 -0.54 0.00 0.00 174.62 171.81 2gk1 n PRO 268 N -2.03 -0.05 -0.12 3.99 -0.01 -1.26 0.23 135.00 135.74 2gk1 n PRO 268 Ca 0.08 0.97 -0.12 0.00 -0.01 0.00 0.00 63.50 64.41 2gk1 n PRO 268 Cb 0.53 -1.49 -0.02 0.00 -0.01 0.00 0.00 33.50 32.51 2gk1 n PRO 268 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 175.50 174.52 2gk1 h ASN 269 N 0.00 0.85 -0.69 2.55 -1.24 -1.98 -1.20 115.58 113.86 2gk1 h ASN 269 Ca 0.34 -0.42 0.05 0.00 0.71 0.00 0.00 56.30 56.98 2gk1 h ASN 269 Cb 0.62 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 2gk1 h ASN 269 CO -0.62 1.09 0.41 0.44 -1.29 0.00 0.00 177.43 177.46 2gk1 h ASP 270 N 0.61 0.63 0.17 1.15 5.19 -0.56 0.25 116.42 123.86 2gk1 h ASP 270 Ca 0.08 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2gk1 h ASP 270 Cb 0.80 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2gk1 h ASP 270 CO 0.06 0.42 -0.08 0.58 -3.12 0.00 0.00 179.24 177.10 2gk1 h VAL 271 N 0.77 0.89 -0.99 -1.35 2.07 -0.91 -2.13 116.25 114.60 2gk1 h VAL 271 Ca 0.30 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.69 2gk1 h VAL 271 Cb 0.13 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 2gk1 h VAL 271 CO -0.16 0.07 0.59 -0.09 0.02 0.00 0.00 177.57 178.01 2gk1 h ARG 272 N -0.38 0.75 -0.36 1.57 2.43 -0.67 -1.48 114.38 116.23 2gk1 h ARG 272 Ca -0.02 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2gk1 h ARG 272 Cb 0.30 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2gk1 h ARG 272 CO 0.04 0.50 -0.09 1.98 -1.51 0.00 0.00 179.97 180.89 2gk1 h MET 273 N 0.77 0.70 -0.60 0.20 4.05 -0.32 -1.50 114.93 118.23 2gk1 h MET 273 Ca 0.56 -0.27 -0.06 0.00 -0.28 0.00 0.00 59.70 59.65 2gk1 h MET 273 Cb 0.83 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 2gk1 h MET 273 CO -0.37 0.85 0.13 0.28 0.23 0.00 0.00 176.91 178.03 2gk1 h VAL 274 N 0.49 1.25 0.54 -5.77 2.07 -0.68 -1.53 116.25 112.62 2gk1 h VAL 274 Ca 0.09 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2gk1 h VAL 274 Cb 0.59 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2gk1 h VAL 274 CO 0.04 0.35 -0.26 0.40 0.02 0.00 0.00 177.57 178.11 2gk1 h ILE 275 N 0.87 0.44 -0.17 4.57 2.04 -1.22 -2.53 117.51 121.52 2gk1 h ILE 275 Ca 0.19 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2gk1 h ILE 275 Cb 0.37 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2gk1 h ILE 275 CO 0.01 0.03 0.08 -0.33 0.00 0.00 0.00 178.15 177.94 2gk1 h GLU 276 N -0.83 0.18 -0.75 2.37 4.39 -1.24 -0.59 114.58 118.10 2gk1 h GLU 276 Ca -0.07 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.78 2gk1 h GLU 276 Cb 0.60 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.08 2gk1 h GLU 276 CO 0.12 0.12 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.16 2gk1 h TYR 277 N 0.18 -0.06 -0.48 4.33 3.20 -1.32 -1.11 116.97 121.70 2gk1 h TYR 277 Ca 0.07 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2gk1 h TYR 277 Cb 0.01 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2gk1 h TYR 277 CO -0.09 -0.24 0.05 0.00 -1.64 0.00 0.00 178.16 176.24 2gk1 h ALA 278 N 1.70 0.64 -0.74 1.82 0.00 -0.81 -2.92 119.26 118.96 2gk1 h ALA 278 Ca 0.41 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2gk1 h ALA 278 Cb 0.71 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2gk1 h ALA 278 CO -0.66 0.40 0.49 -0.09 0.00 0.00 0.00 179.25 179.38 2gk1 h ARG 279 N 0.68 0.77 0.00 0.00 2.43 0.08 0.13 114.38 118.48 2gk1 h ARG 279 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2gk1 h ARG 279 Cb 0.44 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2gk1 h ARG 279 CO 0.01 0.51 0.00 1.28 -1.51 0.00 0.00 179.97 180.26 2gk1 n LEU 280 N -4.48 0.00 0.00 3.80 4.77 -0.80 -2.21 117.00 118.08 2gk1 n LEU 280 Ca 0.11 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2gk1 n LEU 280 Cb 0.21 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2gk1 n LEU 280 CO 0.34 -0.03 0.05 0.54 -1.33 0.00 0.00 177.39 176.96 2gk1 n ARG 281 N -1.06 1.47 -1.19 3.23 1.74 -0.27 -4.86 116.66 115.73 2gk1 n ARG 281 Ca 0.11 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2gk1 n ARG 281 Cb 0.07 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 2gk1 n ARG 281 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gk1 n GLY 282 N 0.24 0.48 3.77 -0.13 0.00 0.25 -4.95 105.19 104.84 2gk1 n GLY 282 Ca 0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2gk1 n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gk1 s ILE 283 N -2.00 5.26 -0.01 -0.61 1.09 -0.03 -4.73 121.20 120.18 2gk1 s ILE 283 Ca 0.00 0.60 -0.22 0.00 -1.10 0.00 0.00 60.65 59.93 2gk1 s ILE 283 Cb 0.00 -3.63 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 2gk1 s ILE 283 CO 0.00 0.45 0.64 -0.13 -0.10 0.00 0.00 174.94 175.80 2gk1 s ARG 284 N -0.02 4.37 -0.38 2.79 0.52 0.64 -3.72 118.95 123.15 2gk1 s ARG 284 Ca 0.18 0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 56.03 2gk1 s ARG 284 Cb -0.14 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2gk1 s ARG 284 CO 0.06 0.30 0.45 0.08 0.02 0.00 0.00 175.30 176.22 2gk1 s VAL 285 N -0.00 5.07 -0.38 3.52 1.01 -1.26 0.00 120.40 128.36 2gk1 s VAL 285 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 2gk1 s VAL 285 Cb -0.18 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2gk1 s VAL 285 CO 0.18 -0.28 0.25 -0.22 0.00 0.00 0.00 175.10 175.03 2gk1 s LEU 286 N 2.23 4.80 -0.08 3.92 2.96 0.57 -4.62 118.68 128.47 2gk1 s LEU 286 Ca 0.15 -0.79 -0.22 0.00 -0.22 0.00 0.00 54.13 53.04 2gk1 s LEU 286 Cb -0.16 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2gk1 s LEU 286 CO 0.13 -0.37 0.66 -2.16 -1.32 0.00 0.00 176.35 173.30 2gk1 s PRO 287 N 1.65 4.42 -0.19 0.98 0.04 -1.26 0.38 135.00 141.02 2gk1 s PRO 287 Ca 0.04 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2gk1 s PRO 287 Cb -0.19 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 30.92 2gk1 s PRO 287 CO 0.09 0.07 -0.17 -2.00 0.04 0.00 0.00 177.00 175.03 2gk1 s GLU 288 N 0.80 3.06 -0.77 4.56 2.12 -0.48 -1.52 118.70 126.48 2gk1 s GLU 288 Ca 0.35 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.92 2gk1 s GLU 288 Cb -0.17 -2.64 0.23 0.00 0.26 0.00 0.00 34.13 31.80 2gk1 s GLU 288 CO 0.17 -0.20 0.78 1.19 -0.54 0.00 0.00 175.26 176.65 2gk1 n PHE 289 N 4.64 3.53 -1.73 5.30 3.72 -1.03 -2.86 117.46 129.03 2gk1 n PHE 289 Ca -0.20 -4.01 -0.66 0.00 -0.05 0.00 0.00 57.45 52.52 2gk1 n PHE 289 Cb 0.50 -0.78 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 2gk1 n PHE 289 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gk1 n ASP 290 N 1.49 1.28 -3.84 4.37 -0.08 -1.26 -4.65 116.55 113.86 2gk1 n ASP 290 Ca 0.25 1.18 -0.12 0.00 -1.51 0.00 0.00 54.79 54.59 2gk1 n ASP 290 Cb 0.38 -0.91 -0.11 0.00 2.34 0.00 0.00 41.12 42.82 2gk1 n ASP 290 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2gk1 s THR 291 N 2.91 0.05 -1.07 5.18 -4.23 -0.68 -4.52 115.64 113.27 2gk1 s THR 291 Ca 1.04 -0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.42 2gk1 s THR 291 Cb -1.44 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 72.10 2gk1 s THR 291 CO 0.79 -0.21 1.52 -0.81 -0.54 0.00 0.00 174.62 175.37 2gk1 n PRO 292 N 2.09 0.08 -2.26 3.99 -0.04 -1.26 -1.16 135.00 136.44 2gk1 n PRO 292 Ca -0.18 -0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 62.98 2gk1 n PRO 292 Cb 0.57 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 2gk1 n PRO 292 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2gk1 s GLY 293 N -2.95 1.72 -1.31 0.55 0.00 -1.26 -1.83 107.32 102.24 2gk1 s GLY 293 Ca 0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 2gk1 s GLY 293 CO 0.65 -0.65 1.01 1.42 0.00 0.00 0.00 173.10 175.54 2gk1 n HIS 294 N -2.98 -2.38 -1.87 1.90 8.25 -1.26 -4.78 115.22 112.09 2gk1 n HIS 294 Ca 0.10 0.94 0.05 0.00 -0.26 0.00 0.00 57.72 58.56 2gk1 n HIS 294 Cb 0.60 -4.82 0.12 0.00 1.12 0.00 0.00 29.99 27.01 2gk1 n HIS 294 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2gk1 n THR 295 N -4.50 1.24 0.00 1.59 -2.24 -1.26 -3.25 114.28 105.85 2gk1 n THR 295 Ca -0.16 -2.09 -0.11 0.00 -2.27 0.00 0.00 64.05 59.42 2gk1 n THR 295 Cb 0.62 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 2gk1 n THR 295 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2gk1 h LEU 296 N 0.79 0.09 -1.93 3.22 3.38 -1.78 -2.93 115.31 116.14 2gk1 h LEU 296 Ca -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2gk1 h LEU 296 Cb 1.33 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2gk1 h LEU 296 CO 0.03 0.14 -0.03 0.77 0.09 0.00 0.00 178.44 179.44 2gk1 h SER 297 N 0.03 0.00 -0.50 -0.43 4.64 -1.67 -2.68 113.55 112.94 2gk1 h SER 297 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2gk1 h SER 297 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2gk1 h SER 297 CO -0.00 0.03 0.29 -0.50 -0.87 0.00 0.00 176.83 175.78 2gk1 h TRP 298 N 0.00 0.54 0.00 4.77 4.06 -1.80 -3.03 115.95 120.49 2gk1 h TRP 298 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2gk1 h TRP 298 Cb 0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 2gk1 h TRP 298 CO 0.00 0.30 0.00 0.41 -3.56 0.00 0.00 178.44 175.59 2gk1 n GLY 299 N -1.24 1.92 0.47 1.49 0.00 -1.01 -2.97 105.19 103.85 2gk1 n GLY 299 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2gk1 n GLY 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gk1 n LYS 300 N 1.12 0.28 -0.06 1.61 4.76 -1.15 -4.65 118.16 120.07 2gk1 n LYS 300 Ca 0.00 0.11 0.09 0.00 -2.87 0.00 0.00 58.31 55.64 2gk1 n LYS 300 Cb 0.41 -1.02 0.12 0.00 -1.84 0.00 0.00 35.03 32.70 2gk1 n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gk1 n GLY 301 N 2.38 0.90 2.84 0.72 0.00 -1.21 -4.83 105.19 105.98 2gk1 n GLY 301 Ca -0.24 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2gk1 n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gk1 s GLN 302 N -1.41 1.15 0.43 1.61 2.00 -1.16 -4.54 119.66 117.74 2gk1 s GLN 302 Ca 0.25 -0.51 -0.22 0.00 -2.00 0.00 0.00 55.36 52.88 2gk1 s GLN 302 Cb 0.16 -2.04 -0.09 0.00 0.80 0.00 0.00 33.01 31.84 2gk1 s GLN 302 CO 0.24 -0.51 1.03 0.15 -0.50 0.00 0.00 175.29 175.69 2gk1 s LYS 303 N 1.70 4.07 0.00 1.67 1.02 -1.26 -3.94 119.74 122.99 2gk1 s LYS 303 Ca -0.00 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.39 2gk1 s LYS 303 Cb -0.16 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 2gk1 s LYS 303 CO -0.07 -0.21 0.00 -0.25 -0.92 0.00 0.00 175.35 173.90 2gk1 n ASP 304 N -0.42 -5.15 -0.01 2.83 8.00 -1.26 -4.82 116.55 115.72 2gk1 n ASP 304 Ca 0.07 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.40 2gk1 n ASP 304 Cb 0.51 -3.18 -0.11 0.00 -0.02 0.00 0.00 41.12 38.32 2gk1 n ASP 304 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gk1 h LEU 305 N 0.00 0.43-10.43 0.64 5.85 -1.96 -3.45 115.31 106.38 2gk1 h LEU 305 Ca 0.00 -0.74 -0.50 0.00 0.84 0.00 0.00 57.88 57.48 2gk1 h LEU 305 Cb 0.86 -0.13 0.08 0.00 0.37 0.00 0.00 40.66 41.84 2gk1 h LEU 305 CO 0.00 1.12 0.40 -0.76 -0.34 0.00 0.00 178.44 178.86 2gk1 s LEU 306 N -8.44 2.91 -0.27 2.25 1.43 -1.26 -0.06 118.68 115.24 2gk1 s LEU 306 Ca -0.14 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 2gk1 s LEU 306 Cb 0.03 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 2gk1 s LEU 306 CO 0.79 -1.41 0.60 -0.89 0.23 0.00 0.00 176.35 175.68 2gk1 s THR 307 N -3.26 5.00 -0.19 5.49 2.01 0.13 -4.25 115.64 120.56 2gk1 s THR 307 Ca 0.58 1.01 -0.37 0.00 0.31 0.00 0.00 61.69 63.23 2gk1 s THR 307 Cb -0.12 -3.92 -0.13 0.00 0.01 0.00 0.00 72.50 68.34 2gk1 s THR 307 CO 0.53 0.01 1.87 -2.65 -0.69 0.00 0.00 174.62 173.69 2gk1 n PRO 308 N 5.70 1.67 -3.86 4.92 -0.02 -1.26 0.48 135.00 142.63 2gk1 n PRO 308 Ca -0.02 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 2gk1 n PRO 308 Cb 0.49 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 2gk1 n PRO 308 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gk1 s TYR 310 N 1.17 0.16 -0.76 0.00 1.13 -1.26 -1.50 117.35 116.28 2gk1 s TYR 310 Ca 0.05 -0.37 0.02 0.00 -1.41 0.00 0.00 57.07 55.36 2gk1 s TYR 310 Cb -0.14 -0.12 0.33 0.00 -1.10 0.00 0.00 41.96 40.93 2gk1 s TYR 310 CO 0.03 -0.28 1.33 -0.25 -2.51 0.00 0.00 175.55 173.88 2gk1 n ASP 317 N 1.29 5.73 -3.69 -0.18 9.92 -1.26 -5.10 116.55 123.27 2gk1 n ASP 317 Ca -0.22 -3.69 -0.16 0.00 -0.53 0.00 0.00 54.79 50.18 2gk1 n ASP 317 Cb 0.56 -0.82 0.09 0.00 -0.64 0.00 0.00 41.12 40.32 2gk1 n ASP 317 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2gk1 n SER 318 N -0.18 0.82 -4.21 -2.24 3.41 -0.56 -5.13 113.62 105.51 2gk1 n SER 318 Ca 0.38 -1.72 -0.14 0.00 -0.26 0.00 0.00 58.87 57.13 2gk1 n SER 318 Cb 0.34 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2gk1 n SER 318 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2gk1 s PHE 319 N -2.17 1.14 0.00 7.33 0.08 -1.26 -3.18 117.98 119.92 2gk1 s PHE 319 Ca 0.46 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2gk1 s PHE 319 Cb -0.02 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 2gk1 s PHE 319 CO 0.31 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.86 2gk1 n GLY 320 N 0.10 3.52 3.12 4.36 0.00 0.18 -4.77 105.19 111.69 2gk1 n GLY 320 Ca -0.13 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2gk1 n GLY 320 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gk1 n PRO 321 N 0.00 -4.12 -2.39 1.61 -0.02 -1.26 -4.39 135.00 124.43 2gk1 n PRO 321 Ca 0.00 -1.48 -0.42 0.00 -2.02 0.00 0.00 63.50 59.57 2gk1 n PRO 321 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2gk1 n PRO 321 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2gk1 s ILE 322 N -2.35 4.09 -0.19 4.25 1.01 -0.76 0.18 121.20 127.43 2gk1 s ILE 322 Ca 0.65 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 62.45 2gk1 s ILE 322 Cb -0.09 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 2gk1 s ILE 322 CO 0.52 0.01 2.18 -3.20 0.00 0.00 0.00 174.94 174.45 2gk1 n ASN 323 N 5.16 3.27 -0.90 3.58 2.85 0.92 -4.71 115.26 125.43 2gk1 n ASN 323 Ca 0.11 0.33 0.08 0.00 -0.11 0.00 0.00 54.58 54.99 2gk1 n ASN 323 Cb 0.45 -1.52 0.21 0.00 1.24 0.00 0.00 39.78 40.17 2gk1 n ASN 323 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2gk1 n PRO 324 N 8.49 2.13 -0.04 1.20 -0.04 -1.26 -4.11 135.00 141.37 2gk1 n PRO 324 Ca 0.30 -1.74 0.02 0.00 -0.04 0.00 0.00 63.50 62.04 2gk1 n PRO 324 Cb 0.42 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2gk1 n PRO 324 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gk1 n THR 325 N 0.91 0.59 -3.14 0.52 -2.24 -1.26 -4.92 114.28 104.74 2gk1 n THR 325 Ca 0.16 -0.65 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 2gk1 n THR 325 Cb 0.41 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 2gk1 n THR 325 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gk1 s LEU 326 N -4.94 4.43 0.24 3.22 1.43 -1.26 -4.97 118.68 116.82 2gk1 s LEU 326 Ca -0.09 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2gk1 s LEU 326 Cb 0.11 -3.02 0.28 0.00 0.03 0.00 0.00 46.19 43.59 2gk1 s LEU 326 CO 0.87 0.08 1.64 -0.55 0.23 0.00 0.00 176.35 178.62 2gk1 h ASN 327 N 5.64 0.54 -0.08 2.29 -1.07 -1.93 -2.80 115.58 118.17 2gk1 h ASN 327 Ca -0.45 -0.22 0.02 0.00 0.07 0.00 0.00 56.30 55.72 2gk1 h ASN 327 Cb 1.20 -0.15 -0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2gk1 h ASN 327 CO 0.70 0.86 0.27 0.71 0.07 0.00 0.00 177.43 180.03 2gk1 h THR 328 N 0.44 0.13 0.25 6.14 1.35 -1.97 -1.01 112.91 118.23 2gk1 h THR 328 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.89 2gk1 h THR 328 Cb 0.83 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2gk1 h THR 328 CO 0.07 0.00 -0.12 0.74 -0.25 0.00 0.00 175.52 175.96 2gk1 h THR 329 N 0.00 0.74 0.00 6.82 2.02 -1.80 -2.85 112.91 117.83 2gk1 h THR 329 Ca 0.04 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 2gk1 h THR 329 Cb 0.57 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2gk1 h THR 329 CO -0.00 0.16 -0.31 1.88 0.37 0.00 0.00 175.52 177.61 2gk1 h TYR 330 N -0.82 0.00 -0.37 3.16 0.05 -1.34 -0.85 116.97 116.80 2gk1 h TYR 330 Ca -0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 2gk1 h TYR 330 Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2gk1 h TYR 330 CO 0.05 0.31 -0.18 0.66 -1.05 0.00 0.00 178.16 177.96 2gk1 h SER 331 N 0.00 0.80 0.78 3.88 4.64 -1.40 -1.00 113.55 121.25 2gk1 h SER 331 Ca -0.00 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2gk1 h SER 331 Cb 0.98 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2gk1 h SER 331 CO 0.04 1.03 -0.45 0.15 -0.87 0.00 0.00 176.83 176.73 2gk1 h PHE 332 N 0.57 -1.20 -0.43 4.77 3.57 -1.22 -2.67 116.94 120.33 2gk1 h PHE 332 Ca 0.08 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2gk1 h PHE 332 Cb 0.73 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2gk1 h PHE 332 CO 0.06 -0.69 0.30 -0.07 -2.23 0.00 0.00 178.31 175.67 2gk1 h LEU 333 N -1.15 0.23 0.40 0.59 3.38 -1.15 0.14 115.31 117.76 2gk1 h LEU 333 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2gk1 h LEU 333 Cb 0.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2gk1 h LEU 333 CO 0.12 0.14 -0.19 0.74 0.09 0.00 0.00 178.44 179.34 2gk1 h THR 334 N 0.26 0.58 -0.88 0.22 2.02 -1.12 0.20 112.91 114.19 2gk1 h THR 334 Ca 0.20 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2gk1 h THR 334 Cb 0.45 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2gk1 h THR 334 CO -0.04 0.07 0.47 0.71 0.37 0.00 0.00 175.52 177.10 2gk1 h THR 335 N -0.76 1.26 0.67 3.16 1.35 -0.99 -0.78 112.91 116.81 2gk1 h THR 335 Ca -0.06 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2gk1 h THR 335 Cb 0.52 0.07 0.01 0.00 -1.73 0.00 0.00 68.15 67.02 2gk1 h THR 335 CO 0.09 0.29 -0.32 0.15 -0.25 0.00 0.00 175.52 175.48 2gk1 h PHE 336 N 1.24 -0.83 0.00 4.73 3.57 -0.71 -2.95 116.94 121.99 2gk1 h PHE 336 Ca 0.31 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2gk1 h PHE 336 Cb 0.04 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2gk1 h PHE 336 CO 0.01 -0.52 -0.01 0.74 -2.23 0.00 0.00 178.31 176.30 2gk1 h PHE 337 N -1.04 0.00 -0.89 0.41 0.04 -0.53 0.12 116.94 115.04 2gk1 h PHE 337 Ca -0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2gk1 h PHE 337 Cb 0.69 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 2gk1 h PHE 337 CO 0.04 0.01 0.49 -0.22 -0.60 0.00 0.00 178.31 178.03 2gk1 h LYS 338 N 0.00 1.24 0.03 1.51 3.11 -1.07 -2.25 116.57 119.14 2gk1 h LYS 338 Ca -0.00 -0.14 -0.00 0.00 -2.81 0.00 0.00 60.65 57.69 2gk1 h LYS 338 Cb 0.04 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 2gk1 h LYS 338 CO 0.00 0.90 -0.02 1.49 -2.81 0.00 0.00 179.45 179.02 2gk1 h GLU 339 N 1.24 -0.04 -0.04 1.90 4.81 -0.60 -2.98 114.58 118.87 2gk1 h GLU 339 Ca 0.31 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2gk1 h GLU 339 Cb 0.02 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2gk1 h GLU 339 CO -0.05 0.11 0.04 0.82 -0.73 0.00 0.00 179.01 179.19 2gk1 h ILE 340 N -0.19 0.65 -0.69 2.32 1.08 -1.30 -0.64 117.51 118.74 2gk1 h ILE 340 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2gk1 h ILE 340 Cb 0.17 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 2gk1 h ILE 340 CO 0.01 0.00 0.37 0.28 -0.69 0.00 0.00 178.15 178.11 2gk1 h SER 341 N 0.00 0.87 0.66 1.72 0.02 -1.25 -1.78 113.55 113.79 2gk1 h SER 341 Ca 0.02 -0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.60 2gk1 h SER 341 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2gk1 h SER 341 CO -0.00 0.72 -1.36 -0.33 -1.14 0.00 0.00 176.83 174.73 2gk1 h GLU 342 N 0.94 0.13 0.06 3.45 5.08 -1.17 -3.34 114.58 119.73 2gk1 h GLU 342 Ca 0.24 -0.22 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2gk1 h GLU 342 Cb 0.06 0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2gk1 h GLU 342 CO -0.04 0.98 -0.90 0.28 -1.00 0.00 0.00 179.01 178.33 2gk1 h VAL 343 N 0.03 1.38 -3.49 3.13 2.07 -1.41 -3.42 116.25 114.54 2gk1 h VAL 343 Ca -0.16 -2.30 -0.72 0.00 0.82 0.00 0.00 66.70 64.34 2gk1 h VAL 343 Cb 1.93 2.71 -0.23 0.00 -1.52 0.00 0.00 31.29 34.18 2gk1 h VAL 343 CO 0.14 0.68 -0.45 -0.36 0.02 0.00 0.00 177.57 177.61 2gk1 s PHE 344 N -3.01 3.25 -0.23 1.57 0.08 -0.67 -4.94 117.98 114.03 2gk1 s PHE 344 Ca -0.12 -0.85 0.28 0.00 0.12 0.00 0.00 56.93 56.37 2gk1 s PHE 344 Cb 0.04 -2.66 1.04 0.00 -0.57 0.00 0.00 43.02 40.87 2gk1 s PHE 344 CO 0.87 -0.66 1.83 -1.00 -0.10 0.00 0.00 175.22 176.16 2gk1 h PRO 345 N 8.57 0.00 -7.21 0.24 0.13 -1.83 -3.43 132.00 128.47 2gk1 h PRO 345 Ca -0.26 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.36 2gk1 h PRO 345 Cb 1.11 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.35 2gk1 h PRO 345 CO 0.73 0.00 0.37 0.34 -0.23 0.00 0.00 178.00 179.21 2gk1 s ASP 346 N -5.28 4.96 0.50 1.44 2.15 -1.26 -4.93 116.67 114.25 2gk1 s ASP 346 Ca 0.04 2.02 0.29 0.00 0.43 0.00 0.00 52.55 55.33 2gk1 s ASP 346 Cb 0.09 -2.55 1.16 0.00 -0.30 0.00 0.00 42.92 41.31 2gk1 s ASP 346 CO 0.53 -1.73 1.91 1.56 -0.17 0.00 0.00 175.17 177.27 2gk1 h GLN 347 N -0.11 0.00 -6.59 4.34 4.20 -1.90 -3.45 115.11 111.61 2gk1 h GLN 347 Ca -0.47 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.55 2gk1 h GLN 347 Cb 1.25 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.78 2gk1 h GLN 347 CO 0.53 0.09 -0.84 -0.06 -0.67 0.00 0.00 178.83 177.88 2gk1 s PHE 348 N -3.66 2.47 -0.11 2.96 0.40 -1.26 -0.08 117.98 118.70 2gk1 s PHE 348 Ca 0.01 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2gk1 s PHE 348 Cb 0.09 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.16 2gk1 s PHE 348 CO 0.59 0.14 -0.18 0.42 0.70 0.00 0.00 175.22 176.89 2gk1 s ILE 349 N -0.79 1.68 -0.19 0.64 1.01 -1.00 -4.56 121.20 118.00 2gk1 s ILE 349 Ca 0.12 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 2gk1 s ILE 349 Cb -0.10 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 2gk1 s ILE 349 CO 0.02 0.48 0.81 -2.28 0.00 0.00 0.00 174.94 173.97 2gk1 s HIS 350 N 0.75 3.39 -2.32 3.97 2.46 -0.58 -2.35 115.29 120.62 2gk1 s HIS 350 Ca -0.11 1.19 0.23 0.00 0.47 0.00 0.00 55.06 56.85 2gk1 s HIS 350 Cb -0.16 -2.99 0.48 0.00 -0.13 0.00 0.00 32.58 29.77 2gk1 s HIS 350 CO 0.02 -0.26 1.43 1.28 -2.47 0.00 0.00 174.74 174.73 2gk1 n LEU 351 N 5.35 3.59 0.00 8.88 4.77 -0.77 -2.47 117.00 136.35 2gk1 n LEU 351 Ca 0.04 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 2gk1 n LEU 351 Cb 0.49 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2gk1 n LEU 351 CO 0.47 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 2gk1 n GLY 352 N 1.53 2.21 1.72 -0.72 0.00 -1.26 -1.69 105.19 106.97 2gk1 n GLY 352 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2gk1 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gk1 n GLY 353 N 0.00 0.53 3.98 -0.02 0.00 -0.31 -1.62 105.19 107.75 2gk1 n GLY 353 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2gk1 n GLY 353 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gk1 s ASP 354 N -2.31 4.56 -0.82 1.61 -4.77 -1.26 -4.17 116.67 109.50 2gk1 s ASP 354 Ca 0.00 -0.14 -0.04 0.00 -3.30 0.00 0.00 52.55 49.07 2gk1 s ASP 354 Cb 0.00 -0.37 0.01 0.00 -1.09 0.00 0.00 42.92 41.46 2gk1 s ASP 354 CO 0.00 -1.71 0.08 -0.62 0.70 0.00 0.00 175.17 173.62 2gk1 n GLU 355 N -2.78 -0.89 -3.00 2.11 1.02 -1.26 -4.58 120.64 111.27 2gk1 n GLU 355 Ca 0.12 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 2gk1 n GLU 355 Cb 0.60 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2gk1 n GLU 355 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2gk1 s VAL 356 N -3.86 4.76 -0.45 2.62 1.01 -1.26 -4.71 120.40 118.52 2gk1 s VAL 356 Ca 0.06 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 2gk1 s VAL 356 Cb -0.03 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2gk1 s VAL 356 CO 0.55 -0.45 0.43 -1.83 0.00 0.00 0.00 175.10 173.80 2gk1 s GLU 357 N 3.03 3.05 0.46 2.72 -1.05 -1.26 -4.92 118.70 120.72 2gk1 s GLU 357 Ca 0.29 -0.97 0.25 0.00 -0.15 0.00 0.00 54.97 54.39 2gk1 s GLU 357 Cb -0.13 -4.03 1.05 0.00 -0.44 0.00 0.00 34.13 30.57 2gk1 s GLU 357 CO 0.17 -0.94 1.88 0.74 0.95 0.00 0.00 175.26 178.07 2gk1 h PHE 358 N 8.76 0.00 -0.53 4.83 0.04 -1.97 -3.31 116.94 124.76 2gk1 h PHE 358 Ca -0.27 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.63 2gk1 h PHE 358 Cb 1.11 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.16 2gk1 h PHE 358 CO 0.63 0.20 -0.03 1.17 -0.60 0.00 0.00 178.31 179.68 2gk1 n LYS 359 N -3.44 -0.04 -0.01 1.51 3.00 -1.26 0.20 118.16 118.12 2gk1 n LYS 359 Ca -0.00 0.81 -0.13 0.00 -0.00 0.00 0.00 58.31 58.99 2gk1 n LYS 359 Cb 0.39 -1.26 -0.10 0.00 0.00 0.00 0.00 35.03 34.05 2gk1 n LYS 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gk1 h TRP 361 N -0.46 0.84 -0.33 0.00 6.55 -0.48 -2.16 115.95 119.90 2gk1 h TRP 361 Ca -0.00 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 2gk1 h TRP 361 Cb 0.46 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.49 2gk1 h TRP 361 CO 0.08 0.31 0.20 1.49 -1.05 0.00 0.00 178.44 179.47 2gk1 h GLU 362 N 0.75 0.40 0.00 0.49 4.22 -1.56 -2.83 114.58 116.05 2gk1 h GLU 362 Ca 0.41 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.83 2gk1 h GLU 362 Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2gk1 h GLU 362 CO -0.27 0.26 0.00 -1.13 -2.18 0.00 0.00 179.01 175.69 2gk1 n SER 363 N -4.89 0.52 -4.66 1.04 3.41 -0.82 -4.66 113.62 103.56 2gk1 n SER 363 Ca -0.01 0.68 -0.39 0.00 -0.26 0.00 0.00 58.87 58.90 2gk1 n SER 363 Cb 0.04 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.15 2gk1 n SER 363 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2gk1 s ASN 364 N -3.97 6.57 0.06 4.04 3.84 -1.07 -4.99 114.94 119.43 2gk1 s ASN 364 Ca 0.01 0.69 -0.21 0.00 0.21 0.00 0.00 52.86 53.56 2gk1 s ASN 364 Cb 0.07 -2.29 -0.12 0.00 -0.55 0.00 0.00 41.25 38.36 2gk1 s ASN 364 CO 0.26 -0.18 1.51 1.55 -2.79 0.00 0.00 177.10 177.46 2gk1 h PRO 365 N 7.42 0.26 -0.75 0.43 0.13 -1.87 -2.71 132.00 134.92 2gk1 h PRO 365 Ca -0.34 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 64.79 2gk1 h PRO 365 Cb 1.15 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 2gk1 h PRO 365 CO 0.74 0.46 0.42 0.87 -0.23 0.00 0.00 178.00 180.26 2gk1 h LYS 366 N 0.02 0.71 -0.73 0.86 1.79 -1.95 -1.07 116.57 116.20 2gk1 h LYS 366 Ca 0.04 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2gk1 h LYS 366 Cb 0.34 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 2gk1 h LYS 366 CO 0.01 0.47 0.44 0.82 -1.08 0.00 0.00 179.45 180.10 2gk1 h ILE 367 N 0.73 1.04 -0.48 1.86 2.04 -1.83 -2.07 117.51 118.79 2gk1 h ILE 367 Ca 0.35 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 66.07 2gk1 h ILE 367 Cb 0.28 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2gk1 h ILE 367 CO -0.22 0.15 0.35 1.56 0.00 0.00 0.00 178.15 179.99 2gk1 h GLN 368 N 0.82 0.00 -0.34 2.37 4.20 -0.87 -0.38 115.11 120.91 2gk1 h GLN 368 Ca 0.31 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 2gk1 h GLN 368 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2gk1 h GLN 368 CO -0.15 0.00 -0.27 -0.44 -0.67 0.00 0.00 178.83 177.30 2gk1 h ASP 369 N 0.00 0.83 0.23 1.46 5.19 -1.24 -3.14 116.42 119.75 2gk1 h ASP 369 Ca 0.23 -0.45 -0.05 0.00 -0.62 0.00 0.00 57.03 56.14 2gk1 h ASP 369 Cb 0.93 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2gk1 h ASP 369 CO -0.00 1.10 -0.23 0.15 -3.12 0.00 0.00 179.24 177.14 2gk1 h PHE 370 N 0.57 0.01 0.48 4.55 3.57 -1.02 -0.64 116.94 124.46 2gk1 h PHE 370 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2gk1 h PHE 370 Cb 0.84 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2gk1 h PHE 370 CO 0.07 0.24 -0.23 0.52 -2.23 0.00 0.00 178.31 176.68 2gk1 h MET 371 N 0.01 -0.62 0.13 1.11 2.86 -1.43 -2.76 114.93 114.23 2gk1 h MET 371 Ca -0.00 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2gk1 h MET 371 Cb 0.42 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2gk1 h MET 371 CO 0.03 -0.38 -0.29 0.00 1.06 0.00 0.00 176.91 177.34 2gk1 h ARG 372 N -0.72 -0.49 0.00 1.72 3.08 -1.39 1.28 114.38 117.86 2gk1 h ARG 372 Ca -0.07 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2gk1 h ARG 372 Cb 0.53 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2gk1 h ARG 372 CO 0.11 -0.33 0.00 1.04 -1.07 0.00 0.00 179.97 179.72 2gk1 n GLN 373 N -5.40 0.01 -0.03 0.04 3.00 -0.30 -1.56 117.38 113.13 2gk1 n GLN 373 Ca -0.07 0.38 -0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2gk1 n GLN 373 Cb 0.31 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.00 2gk1 n GLN 373 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2gk1 n LYS 374 N -1.39 1.85 -1.84 -1.09 4.76 -0.51 -5.06 118.16 114.88 2gk1 n LYS 374 Ca 0.00 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 2gk1 n LYS 374 Cb 0.01 -1.16 0.01 0.00 -1.84 0.00 0.00 35.03 32.05 2gk1 n LYS 374 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gk1 n GLY 375 N 2.82 0.59 0.66 0.72 0.00 0.43 -4.98 105.19 105.42 2gk1 n GLY 375 Ca -0.12 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.74 2gk1 n GLY 375 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gk1 n PHE 376 N -1.56 0.00 0.00 1.61 3.72 -1.09 -5.05 117.46 115.09 2gk1 n PHE 376 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2gk1 n PHE 376 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2gk1 n PHE 376 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gk1 n GLY 377 N 1.28 3.70 0.41 1.37 0.00 -1.26 -1.74 105.19 108.95 2gk1 n GLY 377 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2gk1 n GLY 377 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gk1 n THR 378 N 0.00 1.45 -2.42 2.61 -2.24 -1.26 -4.75 114.28 107.67 2gk1 n THR 378 Ca 0.00 -1.43 -0.41 0.00 -2.27 0.00 0.00 64.05 59.94 2gk1 n THR 378 Cb 0.00 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2gk1 n THR 378 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gk1 s ASP 379 N -1.56 6.00 0.00 3.42 2.15 -0.71 -4.84 116.67 121.13 2gk1 s ASP 379 Ca 0.22 -0.13 0.29 0.00 0.43 0.00 0.00 52.55 53.37 2gk1 s ASP 379 Cb 0.16 -2.55 1.27 0.00 -0.30 0.00 0.00 42.92 41.51 2gk1 s ASP 379 CO 0.07 -1.90 1.94 0.49 -0.17 0.00 0.00 175.17 175.60 2gk1 n PHE 380 N 10.02 0.00 0.11 -5.34 3.72 -1.26 -3.07 117.46 121.64 2gk1 n PHE 380 Ca 0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 2gk1 n PHE 380 Cb 0.50 -0.44 0.44 0.00 -0.94 0.00 0.00 39.48 39.03 2gk1 n PHE 380 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2gk1 h LYS 381 N 0.01 0.29 0.10 -1.08 1.57 -1.92 -2.11 116.57 113.43 2gk1 h LYS 381 Ca 0.00 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 2gk1 h LYS 381 Cb 0.45 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.74 2gk1 h LYS 381 CO 0.00 0.32 -0.91 0.87 -0.57 0.00 0.00 179.45 179.16 2gk1 h LYS 382 N 0.29 0.44 -0.52 3.15 1.57 -1.81 -2.10 116.57 117.59 2gk1 h LYS 382 Ca 0.07 -0.61 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2gk1 h LYS 382 Cb 0.19 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2gk1 h LYS 382 CO 0.00 1.25 0.19 1.25 -0.57 0.00 0.00 179.45 181.57 2gk1 h LEU 383 N -0.08 0.19 -1.14 2.94 5.85 -1.65 0.27 115.31 121.68 2gk1 h LEU 383 Ca -0.14 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2gk1 h LEU 383 Cb 1.65 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 2gk1 h LEU 383 CO 0.17 0.13 0.37 -0.08 -0.34 0.00 0.00 178.44 178.70 2gk1 h GLU 384 N 0.36 0.97 -0.25 1.25 4.22 -1.45 -0.21 114.58 119.47 2gk1 h GLU 384 Ca 0.25 -0.11 -0.12 0.00 0.08 0.00 0.00 59.36 59.47 2gk1 h GLU 384 Cb 0.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2gk1 h GLU 384 CO -0.26 0.72 -0.33 0.77 -2.18 0.00 0.00 179.01 177.73 2gk1 h SER 385 N 0.98 0.56 -0.07 1.04 0.02 -0.61 -2.79 113.55 112.67 2gk1 h SER 385 Ca 0.25 -0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 2gk1 h SER 385 Cb 0.04 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2gk1 h SER 385 CO -0.04 0.85 -0.55 0.15 -1.14 0.00 0.00 176.83 176.10 2gk1 h PHE 386 N 0.46 0.83 -0.55 3.45 3.57 0.33 -2.35 116.94 122.68 2gk1 h PHE 386 Ca 0.05 -0.30 -0.06 0.00 3.53 0.00 0.00 57.97 61.20 2gk1 h PHE 386 Cb 0.80 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2gk1 h PHE 386 CO 0.03 1.06 0.11 -0.92 -2.23 0.00 0.00 178.31 176.36 2gk1 h TYR 387 N 0.50 0.95 -0.17 0.41 3.20 -1.08 -2.46 116.97 118.31 2gk1 h TYR 387 Ca 0.01 -0.12 -0.19 0.00 3.14 0.00 0.00 58.73 61.56 2gk1 h TYR 387 Cb 1.12 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 39.13 2gk1 h TYR 387 CO 0.05 0.83 -0.65 0.97 -1.64 0.00 0.00 178.16 177.73 2gk1 h ILE 388 N 0.79 1.30 0.00 1.81 6.09 -1.43 -2.14 117.51 123.92 2gk1 h ILE 388 Ca 0.17 -1.86 -0.06 0.00 -1.37 0.00 0.00 64.86 61.74 2gk1 h ILE 388 Cb 0.38 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 2gk1 h ILE 388 CO 0.01 0.59 -0.29 1.56 -3.07 0.00 0.00 178.15 176.94 2gk1 h GLN 389 N 0.46 0.00 -0.54 2.19 4.20 -1.49 1.13 115.11 121.07 2gk1 h GLN 389 Ca -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2gk1 h GLN 389 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2gk1 h GLN 389 CO 0.14 0.29 0.19 0.87 -0.67 0.00 0.00 178.83 179.65 2gk1 h LYS 390 N 0.00 0.82 -0.05 1.46 1.79 -1.29 -2.94 116.57 116.36 2gk1 h LYS 390 Ca -0.00 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 2gk1 h LYS 390 Cb 0.55 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2gk1 h LYS 390 CO 0.04 0.73 -0.33 0.28 -1.08 0.00 0.00 179.45 179.08 2gk1 h VAL 391 N 0.73 1.45 -0.75 0.50 2.07 -0.61 -3.27 116.25 116.37 2gk1 h VAL 391 Ca 0.18 -1.79 0.18 0.00 0.82 0.00 0.00 66.70 66.08 2gk1 h VAL 391 Cb 0.23 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 2gk1 h VAL 391 CO -0.01 0.51 0.51 -0.07 0.02 0.00 0.00 177.57 178.53 2gk1 h LEU 392 N -0.22 0.23 0.00 2.57 3.38 0.13 0.16 115.31 121.57 2gk1 h LEU 392 Ca -0.03 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2gk1 h LEU 392 Cb 1.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2gk1 h LEU 392 CO 0.07 0.11 -1.05 -2.24 0.09 0.00 0.00 178.44 175.42 2gk1 h ASP 393 N 0.24 0.00 -0.42 -0.43 2.03 -1.62 -2.33 116.42 113.89 2gk1 h ASP 393 Ca 0.37 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.71 2gk1 h ASP 393 Cb 1.09 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.56 2gk1 h ASP 393 CO -0.08 0.94 0.28 0.40 -1.03 0.00 0.00 179.24 179.75 2gk1 h ILE 394 N 0.00 0.99 0.01 4.15 2.04 -0.74 1.43 117.51 125.40 2gk1 h ILE 394 Ca -0.05 -0.13 -0.27 0.00 1.00 0.00 0.00 64.86 65.41 2gk1 h ILE 394 Cb 1.76 0.58 0.02 0.00 -0.74 0.00 0.00 36.82 38.43 2gk1 h ILE 394 CO 0.11 0.07 -1.06 0.40 0.00 0.00 0.00 178.15 177.68 2gk1 h ILE 395 N 0.38 1.29 -0.21 -0.67 1.08 -1.33 -2.78 117.51 115.27 2gk1 h ILE 395 Ca 0.18 -2.30 -0.10 0.00 -0.39 0.00 0.00 64.86 62.25 2gk1 h ILE 395 Cb 0.23 2.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 2gk1 h ILE 395 CO -0.04 0.71 -0.31 0.00 -0.69 0.00 0.00 178.15 177.81 2gk1 h ALA 396 N 0.43 1.07 -0.00 1.87 0.00 -0.71 -1.41 119.26 120.52 2gk1 h ALA 396 Ca -0.13 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2gk1 h ALA 396 Cb 1.71 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2gk1 h ALA 396 CO 0.20 0.57 -0.22 1.15 0.00 0.00 0.00 179.25 180.96 2gk1 h THR 397 N 0.37 0.49 -0.48 0.00 2.02 0.20 -2.72 112.91 112.78 2gk1 h THR 397 Ca 0.05 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 2gk1 h THR 397 Cb 0.74 0.49 -0.15 0.00 -1.74 0.00 0.00 68.15 67.49 2gk1 h THR 397 CO 0.06 0.00 0.33 2.30 0.37 0.00 0.00 175.52 178.57 2gk1 n ILE 398 N -5.35 2.14 -2.81 3.11 -5.35 -1.05 -4.88 119.36 105.17 2gk1 n ILE 398 Ca -0.05 -1.01 -0.16 0.00 -0.27 0.00 0.00 62.75 61.27 2gk1 n ILE 398 Cb 0.26 -0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 37.33 2gk1 n ILE 398 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2gk1 n ASN 399 N -0.21 -3.72 -4.41 7.28 3.02 -1.03 -4.97 115.26 111.23 2gk1 n ASN 399 Ca 0.29 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.51 2gk1 n ASN 399 Cb 1.00 -3.13 -0.14 0.00 -0.61 0.00 0.00 39.78 36.90 2gk1 n ASN 399 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2gk1 s LYS 400 N -5.42 2.01 1.01 3.52 -0.14 -0.54 -5.04 119.74 115.14 2gk1 s LYS 400 Ca 0.16 -1.00 -0.16 0.00 -1.36 0.00 0.00 55.97 53.61 2gk1 s LYS 400 Cb -0.08 -2.12 0.20 0.00 -1.68 0.00 0.00 37.83 34.15 2gk1 s LYS 400 CO 0.20 0.54 1.21 0.20 -0.76 0.00 0.00 175.35 176.74 2gk1 s GLY 401 N -1.25 1.67 -0.01 -3.33 0.00 0.88 -3.92 107.32 101.36 2gk1 s GLY 401 Ca 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2gk1 s GLY 401 CO 0.03 -0.21 -0.08 -0.56 0.00 0.00 0.00 173.10 172.29 2gk1 s SER 402 N -4.40 1.00 -0.05 1.64 0.01 -1.26 -2.36 113.70 108.27 2gk1 s SER 402 Ca 0.70 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.87 2gk1 s SER 402 Cb -0.08 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 2gk1 s SER 402 CO 0.54 0.08 -0.23 -0.63 0.41 0.00 0.00 173.24 173.40 2gk1 s ILE 403 N 0.01 2.27 -0.02 1.44 1.01 -0.99 -1.21 121.20 123.71 2gk1 s ILE 403 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2gk1 s ILE 403 Cb -0.05 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2gk1 s ILE 403 CO -0.00 0.57 0.09 0.54 0.00 0.00 0.00 174.94 176.14 2gk1 s VAL 404 N -0.35 0.03 0.95 2.92 0.11 -0.80 -1.85 120.40 121.40 2gk1 s VAL 404 Ca 0.02 -0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.73 2gk1 s VAL 404 Cb -0.12 -0.20 0.16 0.00 -1.53 0.00 0.00 36.38 34.69 2gk1 s VAL 404 CO 0.02 -0.12 1.09 0.26 -3.33 0.00 0.00 175.10 173.02 2gk1 s TRP 405 N -0.37 1.98 0.19 1.54 0.23 -0.64 -1.40 118.94 120.47 2gk1 s TRP 405 Ca -0.04 1.37 -0.04 0.00 -2.03 0.00 0.00 56.10 55.35 2gk1 s TRP 405 Cb -0.03 -3.18 0.11 0.00 0.03 0.00 0.00 33.47 30.40 2gk1 s TRP 405 CO 0.00 -2.76 1.53 -0.56 0.96 0.00 0.00 176.95 176.12 2gk1 h GLN 406 N -1.82 0.66 -0.95 4.98 3.07 -1.79 -3.17 115.11 116.08 2gk1 h GLN 406 Ca -0.50 -0.37 0.28 0.00 0.09 0.00 0.00 58.65 58.15 2gk1 h GLN 406 Cb 1.29 0.02 -0.14 0.00 0.08 0.00 0.00 27.48 28.73 2gk1 h GLN 406 CO 0.51 0.98 0.43 0.93 0.09 0.00 0.00 178.83 181.76 2gk1 h GLU 407 N 0.53 0.29 -0.41 0.06 3.07 -1.91 0.12 114.58 116.33 2gk1 h GLU 407 Ca 0.03 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 2gk1 h GLU 407 Cb 1.00 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 2gk1 h GLU 407 CO 0.09 0.19 0.14 0.28 -1.40 0.00 0.00 179.01 178.32 2gk1 h VAL 408 N 0.30 0.88 -0.60 3.13 2.07 -1.71 0.37 116.25 120.69 2gk1 h VAL 408 Ca 0.65 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 68.03 2gk1 h VAL 408 Cb 1.39 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2gk1 h VAL 408 CO -0.62 0.06 0.24 0.15 0.02 0.00 0.00 177.57 177.42 2gk1 h PHE 409 N 0.31 0.91 0.00 1.57 3.57 -1.01 -3.03 116.94 119.26 2gk1 h PHE 409 Ca 0.19 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2gk1 h PHE 409 Cb 0.17 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2gk1 h PHE 409 CO -0.15 0.73 0.00 -0.25 -2.23 0.00 0.00 178.31 176.41 2gk1 n ASP 410 N -4.46 0.28 -1.45 0.41 8.00 -0.20 -1.99 116.55 117.14 2gk1 n ASP 410 Ca 0.03 0.54 0.06 0.00 0.71 0.00 0.00 54.79 56.14 2gk1 n ASP 410 Cb 0.17 -0.61 0.30 0.00 -0.02 0.00 0.00 41.12 40.95 2gk1 n ASP 410 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2gk1 n ASP 411 N -1.78 4.27 -3.40 -2.24 9.92 0.12 -4.96 116.55 118.48 2gk1 n ASP 411 Ca 0.05 -2.54 -0.20 0.00 -0.53 0.00 0.00 54.79 51.57 2gk1 n ASP 411 Cb 0.29 -0.58 0.06 0.00 -0.64 0.00 0.00 41.12 40.26 2gk1 n ASP 411 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2gk1 n LYS 412 N 0.66 -2.55 -4.09 -1.24 4.76 -0.84 -4.66 118.16 110.20 2gk1 n LYS 412 Ca 0.21 0.75 -0.25 0.00 -2.87 0.00 0.00 58.31 56.15 2gk1 n LYS 412 Cb 0.86 -5.39 -0.05 0.00 -1.84 0.00 0.00 35.03 28.61 2gk1 n LYS 412 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gk1 s ALA 413 N -3.42 3.59 0.07 7.82 0.00 -1.23 -5.01 121.76 123.58 2gk1 s ALA 413 Ca 0.39 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 2gk1 s ALA 413 Cb -0.08 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2gk1 s ALA 413 CO 0.77 0.42 0.97 0.21 0.00 0.00 0.00 175.76 178.13 2gk1 s LYS 414 N -3.35 4.65 0.04 0.00 2.47 -1.26 -4.93 119.74 117.35 2gk1 s LYS 414 Ca 0.32 1.44 0.08 0.00 -1.56 0.00 0.00 55.97 56.25 2gk1 s LYS 414 Cb -0.09 -3.41 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2gk1 s LYS 414 CO 0.24 0.11 -0.23 -0.51 0.16 0.00 0.00 175.35 175.12 2gk1 s LEU 415 N 0.37 2.16 0.44 5.43 1.43 -1.26 -4.80 118.68 122.45 2gk1 s LEU 415 Ca 0.49 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2gk1 s LEU 415 Cb -0.23 -1.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.79 2gk1 s LEU 415 CO 0.29 0.21 1.32 0.00 0.23 0.00 0.00 176.35 178.40 2gk1 n ALA 416 N 1.84 1.51 -0.97 4.21 0.00 -1.26 -4.85 120.51 120.99 2gk1 n ALA 416 Ca -0.17 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2gk1 n ALA 416 Cb 0.53 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 2gk1 n ALA 416 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2gk1 n PRO 417 N -0.10 0.80 0.00 0.00 -0.04 -1.26 -1.94 135.00 132.46 2gk1 n PRO 417 Ca 0.06 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 2gk1 n PRO 417 Cb 0.40 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 2gk1 n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gk1 n GLY 418 N 4.91 0.00 3.70 0.55 0.00 -1.26 -5.13 105.19 107.96 2gk1 n GLY 418 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 2gk1 n GLY 418 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gk1 s THR 419 N 0.00 3.00 0.11 2.61 2.01 -0.82 -4.76 115.64 117.78 2gk1 s THR 419 Ca 0.00 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.34 2gk1 s THR 419 Cb 0.00 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 2gk1 s THR 419 CO 0.00 0.01 0.65 -0.63 -0.69 0.00 0.00 174.62 173.96 2gk1 s ILE 420 N 2.08 4.60 -0.17 1.82 -1.09 -0.35 -3.94 121.20 124.15 2gk1 s ILE 420 Ca 0.71 1.40 -0.01 0.00 -2.23 0.00 0.00 60.65 60.52 2gk1 s ILE 420 Cb -0.40 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 2gk1 s ILE 420 CO 0.31 0.54 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.77 2gk1 s VAL 421 N -1.13 3.10 -0.32 2.92 1.01 -0.41 -1.91 120.40 123.65 2gk1 s VAL 421 Ca 0.32 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2gk1 s VAL 421 Cb -0.21 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2gk1 s VAL 421 CO 0.22 0.49 0.18 -0.70 0.00 0.00 0.00 175.10 175.29 2gk1 s GLU 422 N 0.82 3.38 0.14 2.72 2.12 -0.49 0.23 118.70 127.62 2gk1 s GLU 422 Ca -0.04 -0.70 -0.14 0.00 0.36 0.00 0.00 54.97 54.45 2gk1 s GLU 422 Cb -0.15 -3.65 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 2gk1 s GLU 422 CO 0.01 -0.43 0.55 0.08 -0.54 0.00 0.00 175.26 174.93 2gk1 s VAL 423 N 1.65 4.86 0.00 3.70 1.01 -0.43 -2.39 120.40 128.79 2gk1 s VAL 423 Ca 0.05 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2gk1 s VAL 423 Cb -0.17 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2gk1 s VAL 423 CO 0.08 0.25 0.00 -2.67 0.00 0.00 0.00 175.10 172.75 2gk1 n TRP 424 N 0.81 0.00 -3.76 5.22 4.27 -1.26 -1.22 117.44 121.51 2gk1 n TRP 424 Ca -0.05 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.29 2gk1 n TRP 424 Cb 0.52 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.44 2gk1 n TRP 424 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2gk1 s LYS 425 N 0.00 3.49 -0.08 -2.67 1.02 -1.26 -4.19 119.74 116.06 2gk1 s LYS 425 Ca 0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 55.97 55.50 2gk1 s LYS 425 Cb 0.00 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 2gk1 s LYS 425 CO 0.00 0.42 0.26 -0.44 -0.92 0.00 0.00 175.35 174.67 2gk1 h ASP 426 N 1.94 -0.15 -0.34 2.83 3.32 -2.00 -3.38 116.42 118.63 2gk1 h ASP 426 Ca -0.48 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.28 2gk1 h ASP 426 Cb 1.19 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 2gk1 h ASP 426 CO 0.67 0.34 1.13 -1.54 -1.72 0.00 0.00 179.24 178.13 2gk1 n SER 427 N -4.89 0.52 -3.15 6.45 3.41 -1.26 -2.46 113.62 112.23 2gk1 n SER 427 Ca -0.03 -0.85 -0.15 0.00 -0.26 0.00 0.00 58.87 57.58 2gk1 n SER 427 Cb 0.10 -1.17 0.08 0.00 -0.26 0.00 0.00 64.21 62.96 2gk1 n SER 427 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gk1 n ALA 428 N 12.76 -1.83 0.07 7.33 0.00 -1.26 -4.97 120.51 132.61 2gk1 n ALA 428 Ca 0.55 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.88 2gk1 n ALA 428 Cb 0.30 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.37 2gk1 n ALA 428 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2gk1 h TYR 429 N -1.64 0.43 0.00 0.00 -0.00 -1.66 -2.23 116.97 111.87 2gk1 h TYR 429 Ca -0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 58.73 58.02 2gk1 h TYR 429 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 37.96 2gk1 h TYR 429 CO 0.38 0.91 -0.00 -1.35 -0.00 0.00 0.00 178.16 178.09 2gk1 h PRO 430 N 0.22 0.00 0.00 0.10 0.11 -1.88 0.47 132.00 131.02 2gk1 h PRO 430 Ca -0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 2gk1 h PRO 430 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2gk1 h PRO 430 CO 0.11 0.00 -0.62 0.93 -0.21 0.00 0.00 178.00 178.22 2gk1 h GLU 431 N 0.00 0.00 -0.04 1.05 3.07 -1.88 -2.44 114.58 114.34 2gk1 h GLU 431 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2gk1 h GLU 431 Cb 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2gk1 h GLU 431 CO 0.00 0.55 -0.01 0.93 -1.40 0.00 0.00 179.01 179.08 2gk1 h GLU 432 N 0.00 0.08 0.00 2.33 4.39 0.34 -1.41 114.58 120.31 2gk1 h GLU 432 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2gk1 h GLU 432 Cb 1.45 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2gk1 h GLU 432 CO 0.07 0.42 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.27 2gk1 h LEU 433 N -0.27 0.00 -0.01 1.33 3.38 -0.54 -1.32 115.31 117.88 2gk1 h LEU 433 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2gk1 h LEU 433 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gk1 h LEU 433 CO 0.00 0.00 -0.02 0.28 0.09 0.00 0.00 178.44 178.80 2gk1 h SER 434 N 0.00 0.03 -0.26 -0.43 0.02 -1.32 -2.45 113.55 109.13 2gk1 h SER 434 Ca -0.00 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2gk1 h SER 434 Cb 0.01 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2gk1 h SER 434 CO 0.00 0.57 0.15 0.03 -1.14 0.00 0.00 176.83 176.44 2gk1 h ARG 435 N -0.51 0.37 -0.10 3.45 3.08 -1.03 -1.23 114.38 118.41 2gk1 h ARG 435 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2gk1 h ARG 435 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2gk1 h ARG 435 CO 0.00 0.32 0.06 0.28 -1.07 0.00 0.00 179.97 179.56 2gk1 h VAL 436 N 0.32 1.07 0.00 2.04 2.07 -1.33 0.12 116.25 120.53 2gk1 h VAL 436 Ca 0.09 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 2gk1 h VAL 436 Cb 0.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2gk1 h VAL 436 CO -0.02 0.06 -0.46 0.71 0.02 0.00 0.00 177.57 177.88 2gk1 h THR 437 N 0.08 1.12 -0.43 2.57 1.35 -1.48 -1.40 112.91 114.73 2gk1 h THR 437 Ca 0.03 -1.71 -0.07 0.00 -0.55 0.00 0.00 66.41 64.11 2gk1 h THR 437 Cb 0.05 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 2gk1 h THR 437 CO -0.01 0.45 -0.04 0.00 -0.25 0.00 0.00 175.52 175.67 2gk1 h ALA 438 N 1.54 1.12 0.00 6.62 0.00 -0.86 -0.30 119.26 127.38 2gk1 h ALA 438 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2gk1 h ALA 438 Cb 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gk1 h ALA 438 CO 0.06 0.56 0.00 0.43 0.00 0.00 0.00 179.25 180.30 2gk1 n SER 439 N -4.21 0.00 -0.01 0.00 7.64 0.37 -4.93 113.62 112.49 2gk1 n SER 439 Ca 0.02 -0.10 -0.00 0.00 1.01 0.00 0.00 58.87 59.80 2gk1 n SER 439 Cb 0.31 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2gk1 n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gk1 n GLY 440 N 1.02 0.45 3.85 0.23 0.00 -0.12 -5.04 105.19 105.57 2gk1 n GLY 440 Ca 0.13 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2gk1 n GLY 440 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gk1 s PHE 441 N -2.00 3.64 0.66 1.61 0.08 -0.88 -4.98 117.98 116.12 2gk1 s PHE 441 Ca 0.00 0.96 -0.16 0.00 0.12 0.00 0.00 56.93 57.85 2gk1 s PHE 441 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2gk1 s PHE 441 CO 0.00 0.53 1.17 -2.14 -0.10 0.00 0.00 175.22 174.68 2gk1 s PRO 442 N -1.66 2.64 0.00 0.24 0.02 -1.25 -4.23 135.00 130.76 2gk1 s PRO 442 Ca 0.32 1.66 -0.04 0.00 0.02 0.00 0.00 61.00 62.96 2gk1 s PRO 442 Cb -0.15 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 2gk1 s PRO 442 CO 0.17 -1.43 0.08 0.54 -0.33 0.00 0.00 177.00 176.03 2gk1 s VAL 443 N -1.97 0.08 -0.02 3.83 0.11 -0.80 -1.29 120.40 120.35 2gk1 s VAL 443 Ca 0.73 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2gk1 s VAL 443 Cb -0.27 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2gk1 s VAL 443 CO 0.40 -0.37 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.05 2gk1 s ILE 444 N -1.22 0.95 -0.14 7.04 1.01 0.14 -2.80 121.20 126.18 2gk1 s ILE 444 Ca -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2gk1 s ILE 444 Cb -0.07 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2gk1 s ILE 444 CO 0.01 0.28 -0.08 -0.22 0.00 0.00 0.00 174.94 174.92 2gk1 s LEU 445 N -0.14 3.02 0.00 2.97 2.96 -0.59 -1.31 118.68 125.59 2gk1 s LEU 445 Ca 0.02 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2gk1 s LEU 445 Cb -0.06 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2gk1 s LEU 445 CO -0.00 0.17 0.20 -1.54 -1.32 0.00 0.00 176.35 173.86 2gk1 n SER 446 N 3.53 0.40 -0.06 3.68 3.41 -0.36 -0.93 113.62 123.30 2gk1 n SER 446 Ca -0.18 -0.90 -0.11 0.00 -0.26 0.00 0.00 58.87 57.43 2gk1 n SER 446 Cb 0.53 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 2gk1 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gk1 h ALA 447 N 0.00 -0.44 -0.01 7.33 0.00 -1.70 -2.91 119.26 121.53 2gk1 h ALA 447 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gk1 h ALA 447 Cb 0.24 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2gk1 h ALA 447 CO 0.00 -0.86 -0.15 -0.35 0.00 0.00 0.00 179.25 177.89 2gk1 n PRO 448 N -5.42 0.89 -1.76 0.00 -0.04 -1.26 -4.20 135.00 123.21 2gk1 n PRO 448 Ca -0.02 -0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 62.71 2gk1 n PRO 448 Cb 0.35 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 2gk1 n PRO 448 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2gk1 n TRP 449 N -0.68 3.00 -2.42 0.54 8.01 -1.10 -4.87 117.44 119.92 2gk1 n TRP 449 Ca 0.14 -2.62 -0.37 0.00 -1.31 0.00 0.00 57.50 53.35 2gk1 n TRP 449 Cb 0.31 -0.83 -0.03 0.00 -2.01 0.00 0.00 31.31 28.75 2gk1 n TRP 449 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2gk1 s TYR 450 N -3.72 2.35 0.34 -5.99 1.51 -1.26 -1.60 117.35 108.99 2gk1 s TYR 450 Ca 0.57 -0.49 0.11 0.00 -1.01 0.00 0.00 57.07 56.25 2gk1 s TYR 450 Cb 0.45 -4.53 0.62 0.00 -0.11 0.00 0.00 41.96 38.40 2gk1 s TYR 450 CO -0.02 -1.87 1.78 -0.07 -1.11 0.00 0.00 175.55 174.26 2gk1 h LEU 451 N 14.16 0.08 -1.21 -1.29 3.38 -0.71 -2.84 115.31 126.87 2gk1 h LEU 451 Ca 0.19 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2gk1 h LEU 451 Cb 1.00 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 2gk1 h LEU 451 CO 1.37 0.46 0.56 -2.24 0.09 0.00 0.00 178.44 178.69 2gk1 h ASP 452 N 0.07 0.82 -0.44 -0.43 2.03 -1.69 -3.31 116.42 113.47 2gk1 h ASP 452 Ca 0.01 0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 56.16 2gk1 h ASP 452 Cb 0.71 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.02 2gk1 h ASP 452 CO 0.05 0.52 0.43 -0.76 -1.03 0.00 0.00 179.24 178.45 2gk1 s LEU 453 N -9.91 2.90 1.10 0.15 1.43 -1.07 -4.96 118.68 108.32 2gk1 s LEU 453 Ca -0.11 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 2gk1 s LEU 453 Cb 0.20 -2.57 0.25 0.00 0.03 0.00 0.00 46.19 44.10 2gk1 s LEU 453 CO 0.79 -3.55 1.21 0.27 0.23 0.00 0.00 176.35 175.30 2gk1 s ILE 454 N 13.09 1.76 -0.30 -0.59 -4.36 -1.25 -4.99 121.20 124.57 2gk1 s ILE 454 Ca 0.79 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 61.01 2gk1 s ILE 454 Cb -0.07 -2.72 0.20 0.00 1.25 0.00 0.00 42.46 41.12 2gk1 s ILE 454 CO 0.08 0.00 1.27 -0.94 0.24 0.00 0.00 174.94 175.59 2gk1 s SER 455 N -4.36 -0.08 0.02 4.36 1.04 -1.26 -5.14 113.70 108.29 2gk1 s SER 455 Ca 0.73 0.11 -0.36 0.00 0.48 0.00 0.00 55.95 56.91 2gk1 s SER 455 Cb -0.07 1.06 -0.15 0.00 0.10 0.00 0.00 66.02 66.97 2gk1 s SER 455 CO 0.55 -0.02 1.59 0.00 0.98 0.00 0.00 173.24 176.34 2gk1 n TYR 456 N 3.89 2.02 -0.08 5.02 9.36 -1.26 -4.62 117.16 131.49 2gk1 n TYR 456 Ca -0.11 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.47 2gk1 n TYR 456 Cb 0.56 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 2gk1 n TYR 456 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2gk1 n GLY 457 N 3.46 -2.88 3.20 2.98 0.00 -1.26 -4.78 105.19 105.91 2gk1 n GLY 457 Ca 0.20 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2gk1 n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gk1 n GLN 458 N -0.02 0.64 0.00 1.61 6.02 -1.26 -4.63 117.38 119.75 2gk1 n GLN 458 Ca 0.00 -1.19 0.15 0.00 -0.01 0.00 0.00 57.00 55.95 2gk1 n GLN 458 Cb 0.00 -2.52 0.87 0.00 1.02 0.00 0.00 30.24 29.61 2gk1 n GLN 458 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2gk1 n ASP 459 N 7.33 0.00 0.30 1.08 5.75 -1.26 -2.71 116.55 127.03 2gk1 n ASP 459 Ca 0.39 -0.68 0.20 0.00 -0.01 0.00 0.00 54.79 54.69 2gk1 n ASP 459 Cb 0.31 -0.10 0.91 0.00 -1.03 0.00 0.00 41.12 41.21 2gk1 n ASP 459 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2gk1 h TRP 460 N 0.00 0.00 -0.05 2.11 5.08 -1.89 -2.53 115.95 118.67 2gk1 h TRP 460 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2gk1 h TRP 460 Cb 0.10 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2gk1 h TRP 460 CO 0.00 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 177.14 2gk1 h ARG 461 N 0.00 0.10 -0.10 0.12 3.08 -1.91 -0.36 114.38 115.31 2gk1 h ARG 461 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2gk1 h ARG 461 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2gk1 h ARG 461 CO 0.00 0.48 0.21 -0.22 -1.07 0.00 0.00 179.97 179.37 2gk1 h LYS 462 N -0.29 0.00 0.00 0.04 3.64 -1.65 0.32 116.57 118.62 2gk1 h LYS 462 Ca 0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2gk1 h LYS 462 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2gk1 h LYS 462 CO 0.01 0.00 -0.97 1.88 -2.27 0.00 0.00 179.45 178.10 2gk1 h TYR 463 N 0.00 0.00 0.00 1.91 0.05 -1.41 -3.37 116.97 114.15 2gk1 h TYR 463 Ca 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2gk1 h TYR 463 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 2gk1 h TYR 463 CO 0.00 1.01 -0.12 -0.92 -1.05 0.00 0.00 178.16 177.08 2gk1 h TYR 464 N -1.00 0.00 0.00 4.88 3.20 -0.75 -2.46 116.97 120.84 2gk1 h TYR 464 Ca -0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2gk1 h TYR 464 Cb 1.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2gk1 h TYR 464 CO 0.01 0.12 0.00 1.63 -1.64 0.00 0.00 178.16 178.29 2gk1 n LYS 465 N -4.11 0.06 -2.41 1.82 5.02 0.11 -4.82 118.16 113.83 2gk1 n LYS 465 Ca -0.02 0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 56.04 2gk1 n LYS 465 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 2gk1 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gk1 s VAL 466 N -2.89 3.46 -0.41 -0.18 1.01 -0.93 -5.02 120.40 115.44 2gk1 s VAL 466 Ca 0.10 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.49 2gk1 s VAL 466 Cb 0.11 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.73 2gk1 s VAL 466 CO 0.30 0.29 0.13 -0.70 0.00 0.00 0.00 175.10 175.12 2gk1 s GLU 467 N -1.02 1.66 0.29 2.72 2.56 -1.26 -5.02 118.70 118.63 2gk1 s GLU 467 Ca 0.48 -2.15 0.02 0.00 0.00 0.00 0.00 54.97 53.32 2gk1 s GLU 467 Cb -0.33 -3.23 0.59 0.00 2.00 0.00 0.00 34.13 33.16 2gk1 s GLU 467 CO 0.40 -1.01 1.83 -1.00 -0.56 0.00 0.00 175.26 174.93 2gk1 h PRO 468 N 7.19 0.93 0.00 4.30 0.13 -1.99 -2.57 132.00 139.99 2gk1 h PRO 468 Ca -0.06 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2gk1 h PRO 468 Cb 0.97 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2gk1 h PRO 468 CO 0.58 0.61 0.00 1.28 -0.23 0.00 0.00 178.00 180.25 2gk1 n LEU 469 N -4.63 0.00 -4.45 1.56 4.77 -1.26 -4.52 117.00 108.47 2gk1 n LEU 469 Ca 0.19 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.74 2gk1 n LEU 469 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2gk1 n LEU 469 CO 0.27 0.00 1.02 -1.81 -1.33 0.00 0.00 177.39 175.54 2gk1 s ASP 470 N -1.57 6.65 -0.07 -1.43 1.11 -0.97 -4.93 116.67 115.47 2gk1 s ASP 470 Ca 0.14 -2.09 -0.29 0.00 0.18 0.00 0.00 52.55 50.49 2gk1 s ASP 470 Cb 0.06 -2.40 0.10 0.00 1.07 0.00 0.00 42.92 41.75 2gk1 s ASP 470 CO 0.11 -1.05 0.85 0.72 1.18 0.00 0.00 175.17 176.98 2gk1 s PHE 471 N 2.67 -0.45 -0.21 4.23 -0.71 -1.26 -4.83 117.98 117.42 2gk1 s PHE 471 Ca 0.34 0.64 -0.29 0.00 -1.04 0.00 0.00 56.93 56.58 2gk1 s PHE 471 Cb -0.05 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 2gk1 s PHE 471 CO -0.09 -0.50 1.92 0.20 -1.34 0.00 0.00 175.22 175.41 2gk1 s GLY 472 N -1.60 0.91 0.00 1.99 0.00 -1.26 -4.92 107.32 102.44 2gk1 s GLY 472 Ca -0.02 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2gk1 s GLY 472 CO 0.00 3.42 0.00 0.61 0.00 0.00 0.00 173.10 177.13 2gk1 n GLY 473 N 5.21 1.42 3.64 0.20 0.00 -1.26 -4.61 105.19 109.79 2gk1 n GLY 473 Ca 0.24 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2gk1 n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gk1 s THR 474 N -1.68 2.32 0.55 2.61 -4.23 -1.26 -4.79 115.64 109.16 2gk1 s THR 474 Ca 0.00 0.10 0.23 0.00 -1.18 0.00 0.00 61.69 60.84 2gk1 s THR 474 Cb 0.00 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 71.80 2gk1 s THR 474 CO 0.00 -0.14 2.13 1.56 -0.54 0.00 0.00 174.62 177.63 2gk1 h GLN 475 N -1.96 0.00 -0.16 3.99 4.20 -2.01 -1.92 115.11 117.26 2gk1 h GLN 475 Ca -0.52 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 2gk1 h GLN 475 Cb 1.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2gk1 h GLN 475 CO 0.51 0.00 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.36 2gk1 h LYS 476 N 0.00 0.33 -1.01 1.46 3.11 -2.02 -3.07 116.57 115.37 2gk1 h LYS 476 Ca 0.07 -0.15 0.06 0.00 -2.81 0.00 0.00 60.65 57.81 2gk1 h LYS 476 Cb 0.30 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.45 2gk1 h LYS 476 CO -0.00 0.66 0.65 1.96 -2.81 0.00 0.00 179.45 179.91 2gk1 h GLN 477 N -0.00 1.18 -0.76 1.90 4.20 -1.73 -3.00 115.11 116.89 2gk1 h GLN 477 Ca 0.03 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 58.80 2gk1 h GLN 477 Cb 0.56 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2gk1 h GLN 477 CO 0.02 0.78 0.50 0.87 -0.67 0.00 0.00 178.83 180.34 2gk1 h LYS 478 N 1.21 0.53 0.00 1.46 1.79 -1.27 0.13 116.57 120.43 2gk1 h LYS 478 Ca 0.42 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.84 2gk1 h LYS 478 Cb 0.11 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2gk1 h LYS 478 CO -0.16 0.35 -0.08 1.96 -1.08 0.00 0.00 179.45 180.44 2gk1 h GLN 479 N 0.55 0.00 0.00 3.15 7.50 -1.54 -2.15 115.11 122.62 2gk1 h GLN 479 Ca 0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.52 2gk1 h GLN 479 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 2gk1 h GLN 479 CO -0.13 0.08 0.00 -0.07 -1.50 0.00 0.00 178.83 177.21 2gk1 h LEU 480 N 0.00 0.00 -9.03 1.46 3.38 -0.87 -3.41 115.31 106.84 2gk1 h LEU 480 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2gk1 h LEU 480 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2gk1 h LEU 480 CO 0.01 0.00 0.89 0.12 0.09 0.00 0.00 178.44 179.55 2gk1 s PHE 481 N -3.49 2.95 -0.02 1.13 2.19 -0.81 -1.90 117.98 118.04 2gk1 s PHE 481 Ca 0.03 1.09 0.07 0.00 0.33 0.00 0.00 56.93 58.45 2gk1 s PHE 481 Cb 0.09 -3.63 -0.11 0.00 -1.31 0.00 0.00 43.02 38.06 2gk1 s PHE 481 CO 0.54 -1.28 0.13 0.44 1.83 0.00 0.00 175.22 176.89 2gk1 n ILE 482 N 5.73 0.09 -3.75 3.12 -5.35 -1.12 -4.97 119.36 113.11 2gk1 n ILE 482 Ca 0.13 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2gk1 n ILE 482 Cb 0.46 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2gk1 n ILE 482 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gk1 n GLY 483 N 2.18 -1.35 2.45 3.28 0.00 -1.25 -1.26 105.19 109.24 2gk1 n GLY 483 Ca -0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 2gk1 n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gk1 n GLY 484 N 0.00 3.31 3.24 -0.02 0.00 -0.75 -1.54 105.19 109.43 2gk1 n GLY 484 Ca 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2gk1 n GLY 484 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gk1 s GLU 485 N -3.08 0.34 0.67 1.61 2.02 -0.10 -2.98 118.70 117.18 2gk1 s GLU 485 Ca 0.23 0.88 -0.14 0.00 0.02 0.00 0.00 54.97 55.97 2gk1 s GLU 485 Cb 0.01 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.37 2gk1 s GLU 485 CO 0.17 -0.21 1.10 0.00 0.02 0.00 0.00 175.26 176.33 2gk1 s ALA 486 N 1.98 2.47 -0.05 5.21 0.00 -1.10 -4.39 121.76 125.89 2gk1 s ALA 486 Ca -0.05 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2gk1 s ALA 486 Cb -0.10 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2gk1 s ALA 486 CO -0.12 -1.31 0.11 0.00 0.00 0.00 0.00 175.76 174.44 2gk1 n LEU 488 N 4.66 3.43 -4.77 0.00 7.94 -0.96 0.08 117.00 127.38 2gk1 n LEU 488 Ca -0.18 -5.20 -0.40 0.00 -1.11 0.00 0.00 56.01 49.13 2gk1 n LEU 488 Cb 0.50 -0.87 -0.01 0.00 0.53 0.00 0.00 43.42 43.58 2gk1 n LEU 488 CO 0.14 1.70 0.96 0.26 -1.11 0.00 0.00 177.39 179.34 2gk1 s TRP 489 N -1.48 2.86 -0.61 1.96 0.52 -1.26 -3.89 118.94 117.04 2gk1 s TRP 489 Ca 0.26 1.42 0.12 0.00 0.02 0.00 0.00 56.10 57.92 2gk1 s TRP 489 Cb -0.05 -3.66 0.65 0.00 -1.15 0.00 0.00 33.47 29.27 2gk1 s TRP 489 CO -0.15 -2.02 1.51 0.41 0.02 0.00 0.00 176.95 176.72 2gk1 n GLY 490 N 0.68 2.59 0.37 0.98 0.00 -1.26 -4.33 105.19 104.22 2gk1 n GLY 490 Ca 0.03 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.45 2gk1 n GLY 490 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gk1 h GLU 491 N 3.31 0.67 -0.43 1.61 3.07 -1.92 -2.44 114.58 118.45 2gk1 h GLU 491 Ca 0.00 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.36 58.50 2gk1 h GLU 491 Cb 1.59 -0.15 -0.35 0.00 -0.84 0.00 0.00 28.75 29.00 2gk1 h GLU 491 CO 0.35 0.44 -0.90 0.66 -1.40 0.00 0.00 179.01 178.16 2gk1 n TYR 492 N -4.66 1.48 -3.66 4.33 4.01 -1.26 -5.00 117.16 112.41 2gk1 n TYR 492 Ca 0.21 -1.86 -0.21 0.00 -0.16 0.00 0.00 57.90 55.88 2gk1 n TYR 492 Cb 0.58 -0.26 -0.18 0.00 -0.31 0.00 0.00 39.34 39.16 2gk1 n TYR 492 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gk1 s VAL 493 N -3.53 -0.10 0.30 -0.72 1.01 -0.92 -5.00 120.40 111.43 2gk1 s VAL 493 Ca 0.39 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2gk1 s VAL 493 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.52 2gk1 s VAL 493 CO -0.03 0.10 0.08 -0.90 0.00 0.00 0.00 175.10 174.35 2gk1 n ASP 494 N 5.29 1.54 0.00 3.32 5.75 -1.26 -4.50 116.55 126.69 2gk1 n ASP 494 Ca -0.04 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 2gk1 n ASP 494 Cb 0.50 0.62 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 2gk1 n ASP 494 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gk1 n ALA 495 N -1.70 0.51 0.01 2.12 0.00 -1.26 -1.94 120.51 118.25 2gk1 n ALA 495 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 2gk1 n ALA 495 Cb 0.43 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 2gk1 n ALA 495 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gk1 n THR 496 N -1.08 1.28 -0.24 0.00 -2.24 -1.26 -4.52 114.28 106.22 2gk1 n THR 496 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2gk1 n THR 496 Cb 0.20 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2gk1 n THR 496 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2gk1 n ASN 497 N -2.91 0.40 0.34 3.42 6.94 -0.82 -4.87 115.26 117.77 2gk1 n ASN 497 Ca -0.12 -0.75 -0.18 0.00 -0.02 0.00 0.00 54.58 53.50 2gk1 n ASN 497 Cb 0.90 0.23 -0.09 0.00 -2.36 0.00 0.00 39.78 38.46 2gk1 n ASN 497 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2gk1 h LEU 498 N 0.00 -1.13 0.10 -4.53 6.46 -1.76 -2.65 115.31 111.81 2gk1 h LEU 498 Ca 0.00 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2gk1 h LEU 498 Cb 0.12 0.35 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 2gk1 h LEU 498 CO 0.00 -0.64 -0.42 0.74 -0.62 0.00 0.00 178.44 177.50 2gk1 h THR 499 N -1.00 0.16 -0.31 1.05 2.02 -1.89 0.00 112.91 112.95 2gk1 h THR 499 Ca -0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 2gk1 h THR 499 Cb 0.83 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2gk1 h THR 499 CO 0.03 0.00 -0.06 -0.65 0.37 0.00 0.00 175.52 175.22 2gk1 h PRO 500 N -0.64 0.49 -0.34 6.66 0.11 -1.62 -1.19 132.00 135.47 2gk1 h PRO 500 Ca 0.03 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 2gk1 h PRO 500 Cb 0.67 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2gk1 h PRO 500 CO -0.25 0.56 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.96 2gk1 h ARG 501 N 0.47 0.64 0.02 1.05 2.43 -1.11 -3.31 114.38 114.56 2gk1 h ARG 501 Ca 0.09 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2gk1 h ARG 501 Cb 0.39 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2gk1 h ARG 501 CO 0.02 0.79 -0.01 1.25 -1.51 0.00 0.00 179.97 180.51 2gk1 h LEU 502 N 0.44 -0.02 -9.38 3.80 6.46 -0.85 -3.42 115.31 112.33 2gk1 h LEU 502 Ca 0.09 -0.54 -0.67 0.00 -0.12 0.00 0.00 57.88 56.64 2gk1 h LEU 502 Cb 0.53 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.34 2gk1 h LEU 502 CO 0.03 0.54 -0.62 0.26 -0.62 0.00 0.00 178.44 178.03 2gk1 s TRP 503 N -3.91 3.17 -1.99 1.25 0.52 -0.46 -0.68 118.94 116.84 2gk1 s TRP 503 Ca -0.16 0.17 0.13 0.00 0.02 0.00 0.00 56.10 56.26 2gk1 s TRP 503 Cb 0.01 -1.74 0.37 0.00 -1.15 0.00 0.00 33.47 30.96 2gk1 s TRP 503 CO 0.66 0.49 1.31 -0.35 0.02 0.00 0.00 176.95 179.08 2gk1 n PRO 504 N 1.67 1.98 -0.33 4.98 -0.04 -1.26 -1.64 135.00 140.37 2gk1 n PRO 504 Ca -0.16 -1.51 0.08 0.00 -0.04 0.00 0.00 63.50 61.87 2gk1 n PRO 504 Cb 0.53 -1.33 0.28 0.00 -0.04 0.00 0.00 33.50 32.94 2gk1 n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gk1 h ARG 505 N 2.44 0.89 -0.00 0.54 3.08 -1.71 0.22 114.38 119.85 2gk1 h ARG 505 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2gk1 h ARG 505 Cb 0.57 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2gk1 h ARG 505 CO 0.00 0.59 -0.02 0.00 -1.07 0.00 0.00 179.97 179.47 2gk1 n ALA 506 N -2.38 2.45 0.20 0.04 0.00 0.14 -2.91 120.51 118.04 2gk1 n ALA 506 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2gk1 n ALA 506 Cb 0.36 -1.46 0.38 0.00 0.00 0.00 0.00 19.45 18.73 2gk1 n ALA 506 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2gk1 h SER 507 N 0.02 0.00 0.61 0.00 0.02 -0.79 -1.32 113.55 112.09 2gk1 h SER 507 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2gk1 h SER 507 Cb 0.42 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.97 2gk1 h SER 507 CO 0.00 0.34 -0.29 0.00 -1.14 0.00 0.00 176.83 175.73 2gk1 h ALA 508 N 1.66 -0.81 -0.99 3.77 0.00 -1.50 -2.07 119.26 119.32 2gk1 h ALA 508 Ca -0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 2gk1 h ALA 508 Cb 0.82 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 2gk1 h ALA 508 CO 0.04 -0.93 0.61 0.28 0.00 0.00 0.00 179.25 179.26 2gk1 h VAL 509 N -0.87 0.71 -0.38 0.00 2.07 -1.68 -1.83 116.25 114.26 2gk1 h VAL 509 Ca -0.08 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2gk1 h VAL 509 Cb 0.65 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.26 2gk1 h VAL 509 CO 0.14 0.13 -0.28 1.23 0.02 0.00 0.00 177.57 178.81 2gk1 h GLY 510 N 0.71 -0.14 0.93 2.17 0.00 -0.66 -2.10 103.07 103.99 2gk1 h GLY 510 Ca 0.56 0.35 -0.10 0.00 0.00 0.00 0.00 47.33 48.14 2gk1 h GLY 510 CO -0.34 -0.21 -0.22 -2.09 0.00 0.00 0.00 176.54 173.68 2gk1 h GLU 511 N -0.22 0.65 -0.02 4.80 4.81 -0.69 -2.46 114.58 121.46 2gk1 h GLU 511 Ca 0.18 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2gk1 h GLU 511 Cb 0.50 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2gk1 h GLU 511 CO -0.51 0.92 -0.44 -0.09 -0.73 0.00 0.00 179.01 178.17 2gk1 h ARG 512 N 0.39 -0.56 0.00 1.92 9.65 -1.27 0.85 114.38 125.36 2gk1 h ARG 512 Ca 0.05 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2gk1 h ARG 512 Cb 0.77 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2gk1 h ARG 512 CO 0.06 -0.37 -0.01 -0.07 2.80 0.00 0.00 179.97 182.38 2gk1 h LEU 513 N -0.58 0.00 0.00 3.80 3.38 -1.38 -3.30 115.31 117.23 2gk1 h LEU 513 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2gk1 h LEU 513 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2gk1 h LEU 513 CO -0.34 0.01 -1.89 1.87 0.09 0.00 0.00 178.44 178.18 2gk1 n TRP 514 N -3.11 0.14 -1.63 1.13 -0.00 -0.87 -1.86 117.44 111.24 2gk1 n TRP 514 Ca -0.00 0.06 -0.30 0.00 -0.00 0.00 0.00 57.50 57.26 2gk1 n TRP 514 Cb 0.25 -0.86 0.10 0.00 -0.00 0.00 0.00 31.31 30.80 2gk1 n TRP 514 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2gk1 s SER 515 N -6.90 4.35 0.99 5.87 0.01 0.29 -1.45 113.70 116.86 2gk1 s SER 515 Ca -0.34 1.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.94 2gk1 s SER 515 Cb 0.10 -1.81 0.18 0.00 0.21 0.00 0.00 66.02 64.70 2gk1 s SER 515 CO 0.47 -2.04 1.06 -1.20 0.41 0.00 0.00 173.24 171.94 2gk1 n SER 516 N -3.45 -0.35 -0.07 2.44 7.64 -1.26 -4.68 113.62 113.89 2gk1 n SER 516 Ca 0.07 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.13 2gk1 n SER 516 Cb 0.58 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.36 2gk1 n SER 516 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gk1 h LYS 517 N -2.09 0.24 -0.55 1.43 3.64 -1.96 -3.11 116.57 114.17 2gk1 h LYS 517 Ca -0.48 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 2gk1 h LYS 517 Cb 1.29 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2gk1 h LYS 517 CO 0.43 0.16 0.37 0.38 -2.27 0.00 0.00 179.45 178.51 2gk1 h ASP 518 N 0.25 0.39 -0.41 4.20 3.04 -2.01 -3.39 116.42 118.49 2gk1 h ASP 518 Ca 0.12 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.83 2gk1 h ASP 518 Cb 0.06 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.26 2gk1 h ASP 518 CO -0.10 0.25 0.21 -0.69 -2.04 0.00 0.00 179.24 176.87 2gk1 s VAL 519 N -5.42 3.13 0.00 4.15 1.01 -1.18 -4.49 120.40 117.60 2gk1 s VAL 519 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2gk1 s VAL 519 Cb 0.19 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2gk1 s VAL 519 CO 0.74 -0.26 0.43 0.54 0.00 0.00 0.00 175.10 176.55 2gk1 n ARG 520 N 8.74 0.32 -1.91 2.72 1.74 -1.26 -4.95 116.66 122.06 2gk1 n ARG 520 Ca 0.45 -0.49 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 2gk1 n ARG 520 Cb 0.44 -0.60 -0.03 0.00 -1.02 0.00 0.00 32.46 31.26 2gk1 n ARG 520 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2gk1 s ASP 521 N -0.13 6.22 0.02 0.55 2.15 -1.26 -4.90 116.67 119.32 2gk1 s ASP 521 Ca 0.00 1.95 -0.20 0.00 0.43 0.00 0.00 52.55 54.73 2gk1 s ASP 521 Cb 0.00 -2.53 -0.17 0.00 -0.30 0.00 0.00 42.92 39.92 2gk1 s ASP 521 CO 0.00 -1.34 1.25 0.24 -0.17 0.00 0.00 175.17 175.15 2gk1 h MET 522 N 11.51 0.37 -0.77 4.34 2.86 -1.98 -1.13 114.93 130.14 2gk1 h MET 522 Ca -0.39 -0.26 0.07 0.00 -2.06 0.00 0.00 59.70 57.06 2gk1 h MET 522 Cb 1.19 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 2gk1 h MET 522 CO 0.98 0.88 0.51 -0.44 1.06 0.00 0.00 176.91 179.89 2gk1 h ASP 523 N -0.07 0.71 0.02 1.22 5.19 -1.99 0.13 116.42 121.63 2gk1 h ASP 523 Ca -0.00 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 2gk1 h ASP 523 Cb 0.89 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.27 2gk1 h ASP 523 CO 0.06 0.45 -0.73 -0.78 -3.12 0.00 0.00 179.24 175.12 2gk1 h ASP 524 N 0.81 0.60 -0.58 6.45 3.58 -1.96 -2.13 116.42 123.19 2gk1 h ASP 524 Ca 0.34 -0.78 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2gk1 h ASP 524 Cb 0.28 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2gk1 h ASP 524 CO -0.12 1.31 0.28 0.00 -2.88 0.00 0.00 179.24 177.84 2gk1 h ALA 525 N 0.30 1.36 -0.13 -0.78 0.00 -0.77 0.39 119.26 119.63 2gk1 h ALA 525 Ca -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2gk1 h ALA 525 Cb 1.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2gk1 h ALA 525 CO 0.14 0.50 -0.00 -0.92 0.00 0.00 0.00 179.25 178.97 2gk1 h TYR 526 N 0.86 0.25 -0.51 0.00 3.20 -0.83 -1.99 116.97 117.95 2gk1 h TYR 526 Ca 0.21 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2gk1 h TYR 526 Cb 0.10 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2gk1 h TYR 526 CO 0.01 0.47 0.31 0.22 -1.64 0.00 0.00 178.16 177.53 2gk1 h ASP 527 N -0.05 0.61 0.31 -2.11 1.82 -0.75 -2.27 116.42 113.98 2gk1 h ASP 527 Ca 0.04 -0.05 -0.19 0.00 -0.39 0.00 0.00 57.03 56.43 2gk1 h ASP 527 Cb 0.38 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2gk1 h ASP 527 CO 0.01 0.48 -0.79 0.03 -1.61 0.00 0.00 179.24 177.36 2gk1 h ARG 528 N 0.68 0.38 -0.02 0.28 3.08 -0.32 -3.26 114.38 115.20 2gk1 h ARG 528 Ca 0.18 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2gk1 h ARG 528 Cb -0.02 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2gk1 h ARG 528 CO -0.03 1.00 -0.03 1.25 -1.07 0.00 0.00 179.97 181.08 2gk1 h LEU 529 N 0.25 0.07 -0.80 3.04 5.85 -1.27 -2.55 115.31 119.90 2gk1 h LEU 529 Ca -0.04 -0.52 0.13 0.00 0.84 0.00 0.00 57.88 58.29 2gk1 h LEU 529 Cb 1.39 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 2gk1 h LEU 529 CO 0.13 0.57 0.39 0.71 -0.34 0.00 0.00 178.44 179.90 2gk1 h THR 530 N -0.43 0.74 -0.08 1.05 1.35 -1.52 0.60 112.91 114.62 2gk1 h THR 530 Ca 0.00 -0.20 -0.15 0.00 -0.55 0.00 0.00 66.41 65.52 2gk1 h THR 530 Cb 0.55 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 2gk1 h THR 530 CO 0.01 0.11 -0.60 0.03 -0.25 0.00 0.00 175.52 174.81 2gk1 h ARG 531 N 0.58 0.26 -0.00 4.72 3.08 -1.62 -2.58 114.38 118.82 2gk1 h ARG 531 Ca 0.42 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2gk1 h ARG 531 Cb 0.57 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2gk1 h ARG 531 CO -0.35 0.78 -0.79 1.25 -1.07 0.00 0.00 179.97 179.79 2gk1 h HIS 532 N 0.19 0.06 -0.25 3.04 2.76 -0.63 -2.94 115.15 117.39 2gk1 h HIS 532 Ca -0.01 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 2gk1 h HIS 532 Cb 1.11 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 2gk1 h HIS 532 CO 0.02 0.81 -0.22 -0.09 -1.30 0.00 0.00 177.93 177.16 2gk1 h ARG 533 N 0.03 0.45 -0.14 5.26 1.12 0.20 0.39 114.38 121.68 2gk1 h ARG 533 Ca -0.01 -0.16 -0.10 0.00 -1.11 0.00 0.00 59.98 58.60 2gk1 h ARG 533 Cb 1.39 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.30 2gk1 h ARG 533 CO 0.11 0.65 -0.36 0.00 -3.11 0.00 0.00 179.97 177.25 2gk1 h ARG 535 N 0.25 0.86 -0.49 0.00 2.43 -1.29 -2.44 114.38 113.70 2gk1 h ARG 535 Ca 0.03 -0.56 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2gk1 h ARG 535 Cb 0.76 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2gk1 h ARG 535 CO 0.06 1.20 0.32 0.52 -1.51 0.00 0.00 179.97 180.55 2gk1 h MET 536 N 0.64 0.62 -0.69 0.20 2.86 -0.82 -1.22 114.93 116.52 2gk1 h MET 536 Ca 0.01 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2gk1 h MET 536 Cb 1.17 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.62 2gk1 h MET 536 CO 0.12 0.41 0.34 0.28 1.06 0.00 0.00 176.91 179.13 2gk1 h VAL 537 N 0.64 0.85 -0.20 -2.22 2.07 -1.06 0.18 116.25 116.51 2gk1 h VAL 537 Ca 0.19 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2gk1 h VAL 537 Cb -0.04 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2gk1 h VAL 537 CO -0.06 0.11 0.02 -0.33 0.02 0.00 0.00 177.57 177.33 2gk1 h GLU 538 N 0.58 0.34 0.00 1.57 5.08 -1.01 -2.54 114.58 118.61 2gk1 h GLU 538 Ca 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2gk1 h GLU 538 Cb 0.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2gk1 h GLU 538 CO -0.27 0.51 0.00 0.54 -1.00 0.00 0.00 179.01 178.80 2gk1 n ARG 539 N -4.72 0.27 0.00 2.33 1.74 -0.50 -4.75 116.66 111.03 2gk1 n ARG 539 Ca -0.04 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2gk1 n ARG 539 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2gk1 n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gk1 n GLY 540 N -0.45 1.11 3.27 -0.13 0.00 -0.96 -5.08 105.19 102.95 2gk1 n GLY 540 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2gk1 n GLY 540 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gk1 s ILE 541 N -2.00 3.62 -0.93 -0.61 -1.09 0.03 -5.00 121.20 115.22 2gk1 s ILE 541 Ca 0.00 -1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 2gk1 s ILE 541 Cb 0.00 -2.98 -0.08 0.00 -1.58 0.00 0.00 42.46 37.83 2gk1 s ILE 541 CO 0.00 -0.05 2.10 0.00 -1.23 0.00 0.00 174.94 175.76 2gk1 n ALA 542 N 4.79 4.48 -2.02 9.38 0.00 -1.26 -2.57 120.51 133.30 2gk1 n ALA 542 Ca -0.14 -2.49 -0.42 0.00 0.00 0.00 0.00 53.44 50.40 2gk1 n ALA 542 Cb 0.46 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.67 2gk1 n ALA 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gk1 s ALA 543 N 3.78 3.58 0.57 0.00 0.00 -1.26 -3.03 121.76 125.39 2gk1 s ALA 543 Ca 0.46 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 2gk1 s ALA 543 Cb 0.12 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2gk1 s ALA 543 CO 0.00 -0.61 1.02 1.14 0.00 0.00 0.00 175.76 177.31 2gk1 s GLN 544 N 0.21 3.60 0.73 0.00 -2.07 -0.65 -4.84 119.66 116.64 2gk1 s GLN 544 Ca 0.60 1.03 -0.12 0.00 -1.82 0.00 0.00 55.36 55.05 2gk1 s GLN 544 Cb -0.38 -2.08 0.03 0.00 -1.09 0.00 0.00 33.01 29.49 2gk1 s GLN 544 CO 0.37 -0.57 1.09 -1.25 -1.32 0.00 0.00 175.29 173.61 2gk1 s PRO 545 N -4.26 2.50 0.03 9.60 0.04 -1.26 -4.20 135.00 137.45 2gk1 s PRO 545 Ca 0.60 1.18 0.13 0.00 0.04 0.00 0.00 61.00 62.95 2gk1 s PRO 545 Cb -0.13 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.30 2gk1 s PRO 545 CO 0.38 -1.45 0.84 -0.07 0.04 0.00 0.00 177.00 176.73 2gk1 h LEU 546 N -0.78 0.00 0.00 -3.56 3.38 -1.96 -3.49 115.31 108.90 2gk1 h LEU 546 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2gk1 h LEU 546 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2gk1 h LEU 546 CO 0.53 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.91 2gk1 n TYR 547 N -3.06 0.00 -1.55 1.13 9.36 -1.26 -4.77 117.16 117.02 2gk1 n TYR 547 Ca -0.11 0.00 -0.57 0.00 3.32 0.00 0.00 57.90 60.53 2gk1 n TYR 547 Cb 0.96 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.59 2gk1 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2gk1 n ALA 548 N -0.02 0.13 -2.90 2.98 0.00 -1.26 -4.80 120.51 114.64 2gk1 n ALA 548 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2gk1 n ALA 548 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2gk1 n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gk1 n GLY 549 N 5.50 1.55 3.70 0.00 0.00 -1.26 -5.20 105.19 109.48 2gk1 n GLY 549 Ca 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2gk1 n GLY 549 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gk1 s TYR 550 N -0.23 -0.15 0.48 1.61 1.13 -1.26 -5.19 117.35 113.74 2gk1 s TYR 550 Ca 0.00 -0.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.60 2gk1 s TYR 550 Cb 0.00 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.45 2gk1 s TYR 550 CO 0.00 -0.73 0.14 0.00 -2.51 0.00 0.00 175.55 172.45