#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gk1 n ALA 55 N 0.00 5.27 -1.90 0.55 0.00 -1.26 -4.80 120.51 118.38 2gk1 n ALA 55 Ca 0.00 -2.64 -0.42 0.00 0.00 0.00 0.00 53.44 50.38 2gk1 n ALA 55 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2gk1 n ALA 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gk1 s LEU 56 N -3.05 4.37 -0.11 0.00 1.43 -1.26 -4.54 118.68 115.53 2gk1 s LEU 56 Ca 0.53 2.59 -0.04 0.00 -1.03 0.00 0.00 54.13 56.18 2gk1 s LEU 56 Cb 0.44 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 43.14 2gk1 s LEU 56 CO 0.11 -0.88 0.22 0.86 0.23 0.00 0.00 176.35 176.89 2gk1 s TRP 57 N 1.93 -0.31 0.38 0.29 -0.11 -1.26 -3.50 118.94 116.36 2gk1 s TRP 57 Ca 0.73 0.79 -0.25 0.00 1.22 0.00 0.00 56.10 58.59 2gk1 s TRP 57 Cb -0.43 -0.12 -0.09 0.00 -1.50 0.00 0.00 33.47 31.34 2gk1 s TRP 57 CO 0.32 -0.30 1.09 -2.14 -4.62 0.00 0.00 176.95 171.30 2gk1 s PRO 58 N 2.21 4.22 0.05 5.86 0.02 -1.26 -4.79 135.00 141.31 2gk1 s PRO 58 Ca 0.01 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 2gk1 s PRO 58 Cb -0.12 -2.69 -0.09 0.00 0.02 0.00 0.00 34.50 31.62 2gk1 s PRO 58 CO -0.07 -0.12 1.97 -0.11 -0.33 0.00 0.00 177.00 178.34 2gk1 n LEU 59 N 0.20 4.18 -4.63 -5.54 7.94 -1.23 -4.94 117.00 112.99 2gk1 n LEU 59 Ca 0.04 0.91 -0.31 0.00 -1.11 0.00 0.00 56.01 55.53 2gk1 n LEU 59 Cb 0.48 -1.53 0.18 0.00 0.53 0.00 0.00 43.42 43.08 2gk1 n LEU 59 CO 0.48 0.21 0.61 -2.65 -1.11 0.00 0.00 177.39 174.93 2gk1 n PRO 60 N 7.45 -0.70 -0.25 1.96 -0.02 -1.26 -4.53 135.00 137.64 2gk1 n PRO 60 Ca 0.20 -0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.50 2gk1 n PRO 60 Cb 0.41 -2.32 0.08 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.98 0.72 -7.38 2.45 5.85 -1.87 -3.42 115.31 109.69 2gk1 h LEU 61 Ca -0.45 -0.00 -0.46 0.00 0.84 0.00 0.00 57.88 57.80 2gk1 h LEU 61 Cb 1.28 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.76 2gk1 h LEU 61 CO 0.42 0.50 -0.76 -0.55 -0.34 0.00 0.00 178.44 177.70 2gk1 s SER 62 N -5.75 2.05 -0.15 1.25 0.15 -1.06 -5.00 113.70 105.19 2gk1 s SER 62 Ca -0.13 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2gk1 s SER 62 Cb 0.15 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2gk1 s SER 62 CO 0.77 -0.24 -0.15 -0.69 1.20 0.00 0.00 173.24 174.12 2gk1 s VAL 63 N 1.95 1.64 -0.71 4.45 1.01 -1.26 -2.26 120.40 125.21 2gk1 s VAL 63 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2gk1 s VAL 63 Cb -0.14 -1.52 0.18 0.00 0.00 0.00 0.00 36.38 34.90 2gk1 s VAL 63 CO -0.06 0.47 0.54 -0.54 0.00 0.00 0.00 175.10 175.50 2gk1 s LYS 64 N 1.38 2.72 -0.10 2.72 1.02 0.05 -5.00 119.74 122.54 2gk1 s LYS 64 Ca 0.03 -2.90 -0.19 0.00 0.02 0.00 0.00 55.97 52.93 2gk1 s LYS 64 Cb -0.13 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2gk1 s LYS 64 CO -0.10 -1.21 0.52 0.00 -0.92 0.00 0.00 175.35 173.64 2gk1 s MET 65 N -0.70 4.34 -0.02 1.68 0.23 -1.26 -2.45 119.30 121.13 2gk1 s MET 65 Ca 0.21 0.54 0.05 0.00 -1.03 0.00 0.00 55.69 55.47 2gk1 s MET 65 Cb -0.15 -3.43 -0.01 0.00 -1.53 0.00 0.00 34.83 29.72 2gk1 s MET 65 CO -0.08 0.17 -0.17 0.95 -2.03 0.00 0.00 175.02 173.87 2gk1 s THR 66 N 0.55 1.34 -0.43 3.16 -4.23 -1.14 -5.04 115.64 109.84 2gk1 s THR 66 Ca 0.28 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 2gk1 s THR 66 Cb -0.16 -1.12 0.08 0.00 1.34 0.00 0.00 72.50 72.64 2gk1 s THR 66 CO 0.12 0.38 1.14 -2.65 -0.54 0.00 0.00 174.62 173.07 2gk1 n PRO 67 N 2.76 0.05 -2.10 3.99 -0.02 -1.26 -4.23 135.00 134.19 2gk1 n PRO 67 Ca -0.15 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2gk1 n PRO 67 Cb 0.54 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2gk1 n PRO 67 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gk1 s ASN 68 N -3.18 6.73 0.37 2.55 2.47 -1.26 -4.98 114.94 117.65 2gk1 s ASN 68 Ca -0.01 2.17 -0.10 0.00 0.42 0.00 0.00 52.86 55.34 2gk1 s ASN 68 Cb 0.02 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.22 2gk1 s ASN 68 CO 0.07 -0.86 0.72 -0.76 -3.72 0.00 0.00 177.10 172.55 2gk1 s LEU 69 N 3.47 3.90 0.10 3.21 1.43 -1.26 -2.18 118.68 127.35 2gk1 s LEU 69 Ca 0.69 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2gk1 s LEU 69 Cb -0.32 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2gk1 s LEU 69 CO 0.27 -0.34 0.01 -0.76 0.23 0.00 0.00 176.35 175.76 2gk1 s LEU 70 N -3.70 2.15 0.01 1.79 1.43 -0.95 -4.88 118.68 114.52 2gk1 s LEU 70 Ca 0.50 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2gk1 s LEU 70 Cb -0.10 0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.32 2gk1 s LEU 70 CO 0.30 -0.65 -0.04 -1.00 0.23 0.00 0.00 176.35 175.19 2gk1 s HIS 71 N -3.95 0.37 0.20 0.29 3.76 0.02 -2.01 115.29 113.97 2gk1 s HIS 71 Ca 0.16 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 54.95 2gk1 s HIS 71 Cb 0.08 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 2gk1 s HIS 71 CO -0.04 -0.03 0.16 -0.51 -0.85 0.00 0.00 174.74 173.47 2gk1 s LEU 72 N -0.46 3.81 -0.25 0.89 1.02 -1.10 -1.20 118.68 121.39 2gk1 s LEU 72 Ca -0.02 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 53.96 2gk1 s LEU 72 Cb -0.04 -2.39 0.04 0.00 0.02 0.00 0.00 46.19 43.82 2gk1 s LEU 72 CO -0.00 0.03 -0.09 0.00 0.02 0.00 0.00 176.35 176.30 2gk1 s ALA 73 N -1.90 2.61 0.00 4.21 0.00 -1.26 -4.64 121.76 120.77 2gk1 s ALA 73 Ca 0.32 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2gk1 s ALA 73 Cb -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2gk1 s ALA 73 CO 0.24 -0.94 0.39 -2.30 0.00 0.00 0.00 175.76 173.15 2gk1 n PRO 74 N 4.57 0.00 -0.61 0.00 -0.02 -1.26 -0.47 135.00 137.21 2gk1 n PRO 74 Ca -0.16 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 2gk1 n PRO 74 Cb 0.45 -0.66 -0.01 0.00 -0.02 0.00 0.00 33.50 33.25 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 -1.52 1.22 0.00 -0.52 1.02 -1.26 -3.44 120.64 116.13 2gk1 n GLU 75 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2gk1 n GLU 75 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.45 0.00 -4.76 1.62 5.15 -0.28 -5.12 115.26 113.32 2gk1 n ASN 76 Ca 0.09 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.67 2gk1 n ASN 76 Cb 0.55 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.77 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 -0.92 3.40 -0.02 1.20 5.36 0.38 -4.91 117.98 122.46 2gk1 s PHE 77 Ca 0.00 1.63 0.03 0.00 -0.96 0.00 0.00 56.93 57.64 2gk1 s PHE 77 Cb 0.00 -3.34 -0.00 0.00 -0.34 0.00 0.00 43.02 39.34 2gk1 s PHE 77 CO 0.00 -0.86 -0.12 0.71 -1.46 0.00 0.00 175.22 173.49 2gk1 s TYR 78 N -1.24 1.17 -0.40 10.12 2.02 -0.89 -5.00 117.35 123.12 2gk1 s TYR 78 Ca 0.48 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 2gk1 s TYR 78 Cb -0.32 -0.79 0.11 0.00 -0.40 0.00 0.00 41.96 40.56 2gk1 s TYR 78 CO 0.41 -0.09 0.13 0.42 -1.57 0.00 0.00 175.55 174.86 2gk1 s ILE 79 N 0.00 2.55 0.24 2.71 1.01 -1.26 -0.24 121.20 126.22 2gk1 s ILE 79 Ca -0.01 -2.53 0.02 0.00 0.00 0.00 0.00 60.65 58.13 2gk1 s ILE 79 Cb -0.08 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2gk1 s ILE 79 CO 0.00 -0.67 0.05 -0.94 0.00 0.00 0.00 174.94 173.39 2gk1 s SER 80 N 0.78 1.47 0.48 3.58 1.04 -1.14 -4.90 113.70 115.02 2gk1 s SER 80 Ca 0.12 -1.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.03 2gk1 s SER 80 Cb -0.21 0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.93 2gk1 s SER 80 CO -0.06 -0.63 1.25 -1.00 0.98 0.00 0.00 173.24 173.78 2gk1 s HIS 81 N -3.60 2.66 0.21 5.02 3.76 -1.26 -0.63 115.29 121.45 2gk1 s HIS 81 Ca 0.32 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.40 2gk1 s HIS 81 Cb 0.07 -3.56 -0.08 0.00 1.11 0.00 0.00 32.58 30.12 2gk1 s HIS 81 CO 0.10 -2.06 1.16 0.45 -0.85 0.00 0.00 174.74 173.55 2gk1 s SER 82 N -1.15 7.15 0.00 1.40 0.15 -0.95 -4.65 113.70 115.66 2gk1 s SER 82 Ca 0.66 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.54 2gk1 s SER 82 Cb -0.34 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 2gk1 s SER 82 CO 0.41 -0.30 0.43 -2.65 1.20 0.00 0.00 173.24 172.33 2gk1 n PRO 83 N 2.11 0.00 -0.58 5.44 -0.02 -1.26 -1.05 135.00 139.64 2gk1 n PRO 83 Ca 0.03 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 2gk1 n PRO 83 Cb 0.45 -1.46 0.12 0.00 -0.02 0.00 0.00 33.50 32.59 2gk1 n PRO 83 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2gk1 n ASN 84 N -0.93 1.52 -4.85 2.55 2.04 -1.26 -5.07 115.26 109.26 2gk1 n ASN 84 Ca 0.00 -3.02 -0.34 0.00 -0.44 0.00 0.00 54.58 50.78 2gk1 n ASN 84 Cb 0.00 -0.41 -0.06 0.00 -2.53 0.00 0.00 39.78 36.79 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 -2.56 6.78 0.00 0.53 0.15 -0.22 -4.89 113.70 113.49 2gk1 s SER 85 Ca 0.30 1.06 0.05 0.00 0.70 0.00 0.00 55.95 58.06 2gk1 s SER 85 Cb 0.29 -2.28 0.33 0.00 -1.71 0.00 0.00 66.02 62.64 2gk1 s SER 85 CO -0.05 0.04 0.88 0.35 1.20 0.00 0.00 173.24 175.66 2gk1 n THR 86 N 0.48 0.00 -4.48 6.45 -2.24 -0.95 -4.57 114.28 108.96 2gk1 n THR 86 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2gk1 n THR 86 Cb 0.52 -0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.00 0.96 0.00 6.98 0.00 -1.26 -4.54 121.76 121.90 2gk1 s ALA 87 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2gk1 s ALA 87 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2gk1 s ALA 87 CO 0.06 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.43 2gk1 n GLY 88 N 3.02 5.43 0.27 0.00 0.00 -1.26 -4.79 105.19 107.86 2gk1 n GLY 88 Ca -0.16 -2.08 0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 -2.00 1.61 0.11 -2.00 -3.21 132.00 126.51 2gk1 h PRO 89 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 2gk1 h PRO 89 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2gk1 h PRO 89 CO 0.00 0.00 -0.36 -1.13 -0.21 0.00 0.00 178.00 176.30 2gk1 n SER 90 N -2.82 5.26 -3.39 -2.05 3.41 -1.26 -4.61 113.62 108.15 2gk1 n SER 90 Ca -0.02 -2.48 -0.19 0.00 -0.26 0.00 0.00 58.87 55.92 2gk1 n SER 90 Cb 0.11 -1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 62.57 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 5.45 1.25 -0.46 0.00 2.02 -1.90 -0.52 112.91 118.75 2gk1 h THR 92 Ca -0.01 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 66.57 2gk1 h THR 92 Cb 1.05 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.58 2gk1 h THR 92 CO 0.26 0.30 -0.18 0.25 0.37 0.00 0.00 175.52 176.51 2gk1 h LEU 93 N 1.14 -0.64 -0.11 2.58 6.46 -1.97 0.51 115.31 123.29 2gk1 h LEU 93 Ca 0.28 0.16 -0.22 0.00 -0.12 0.00 0.00 57.88 57.98 2gk1 h LEU 93 Cb 0.11 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2gk1 h LEU 93 CO -0.04 -0.22 -1.00 -0.07 -0.62 0.00 0.00 178.44 176.50 2gk1 h LEU 94 N -0.08 0.22 -1.12 2.25 3.38 -1.86 -2.23 115.31 115.88 2gk1 h LEU 94 Ca 0.22 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2gk1 h LEU 94 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2gk1 h LEU 94 CO -0.52 1.09 -0.34 -0.33 0.09 0.00 0.00 178.44 178.42 2gk1 h GLU 95 N 0.07 0.17 0.02 1.13 4.39 -0.42 -0.11 114.58 119.83 2gk1 h GLU 95 Ca -0.06 -0.07 -0.21 0.00 0.34 0.00 0.00 59.36 59.36 2gk1 h GLU 95 Cb 1.69 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2gk1 h GLU 95 CO 0.15 0.50 -0.95 0.93 -1.16 0.00 0.00 179.01 178.48 2gk1 h GLU 96 N 0.15 0.20 -0.67 2.33 4.39 -0.02 -3.19 114.58 117.76 2gk1 h GLU 96 Ca 0.02 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 2gk1 h GLU 96 Cb 0.69 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 2gk1 h GLU 96 CO 0.05 1.01 0.19 0.00 -1.16 0.00 0.00 179.01 179.10 2gk1 h ALA 97 N 0.90 0.89 -0.50 3.43 0.00 -0.94 -1.34 119.26 121.69 2gk1 h ALA 97 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2gk1 h ALA 97 Cb 1.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2gk1 h ALA 97 CO 0.15 0.58 0.29 0.74 0.00 0.00 0.00 179.25 181.00 2gk1 h PHE 98 N 0.99 0.67 -0.06 0.00 0.04 -1.08 -1.53 116.94 115.99 2gk1 h PHE 98 Ca 0.22 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 2gk1 h PHE 98 Cb 0.33 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2gk1 h PHE 98 CO 0.02 0.49 -0.13 -0.09 -0.60 0.00 0.00 178.31 178.00 2gk1 h ARG 99 N 0.67 0.19 -0.03 1.51 2.43 -1.54 -2.73 114.38 114.87 2gk1 h ARG 99 Ca 0.18 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2gk1 h ARG 99 Cb 0.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2gk1 h ARG 99 CO -0.03 0.72 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.91 2gk1 h ARG 100 N -0.32 -0.22 -0.01 0.20 2.43 -1.20 -2.58 114.38 112.67 2gk1 h ARG 100 Ca 0.00 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2gk1 h ARG 100 Cb 0.72 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2gk1 h ARG 100 CO 0.03 -0.15 -0.38 1.88 -1.51 0.00 0.00 179.97 179.84 2gk1 h TYR 101 N -0.23 0.03 -0.27 2.20 0.05 -1.39 -2.06 116.97 115.30 2gk1 h TYR 101 Ca 0.06 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.85 2gk1 h TYR 101 Cb 0.31 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2gk1 h TYR 101 CO -0.22 0.40 0.18 1.25 -1.05 0.00 0.00 178.16 178.73 2gk1 h HIS 102 N 0.02 0.30 -0.29 4.88 2.76 -1.14 0.11 115.15 121.80 2gk1 h HIS 102 Ca -0.00 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 2gk1 h HIS 102 Cb 0.68 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2gk1 h HIS 102 CO 0.00 0.19 -0.42 0.78 -1.30 0.00 0.00 177.93 177.18 2gk1 h GLY 103 N 0.32 0.79 0.48 5.26 0.00 -1.09 -3.20 103.07 105.62 2gk1 h GLY 103 Ca 0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2gk1 h GLY 103 CO -0.02 0.73 -0.04 -0.97 0.00 0.00 0.00 176.54 176.24 2gk1 h TYR 104 N 0.59 -0.11 -0.49 5.60 0.05 -0.90 -2.42 116.97 119.29 2gk1 h TYR 104 Ca 0.04 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.92 2gk1 h TYR 104 Cb 0.97 0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.65 2gk1 h TYR 104 CO 0.05 0.36 -0.15 0.82 -1.05 0.00 0.00 178.16 178.20 2gk1 h ILE 105 N -0.63 0.47 0.00 -2.88 2.04 -0.97 -3.39 117.51 112.14 2gk1 h ILE 105 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2gk1 h ILE 105 Cb 0.52 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2gk1 h ILE 105 CO 0.02 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.66 2gk1 n PHE 106 N -5.37 0.00 0.00 1.37 3.72 -1.21 -4.92 117.46 111.05 2gk1 n PHE 106 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2gk1 n PHE 106 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 2.99 2.14 0.00 1.37 0.00 -0.91 -5.06 105.19 105.73 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 -0.07 0.00 -4.51 2.61 5.66 -1.26 -5.02 114.28 111.69 2gk1 n THR 122 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2gk1 n THR 122 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 2.77 -0.26 1.09 0.74 -1.26 -0.80 119.66 121.94 2gk1 s GLN 123 Ca 0.00 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 2gk1 s GLN 123 Cb 0.00 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.47 2gk1 s GLN 123 CO 0.00 0.66 0.05 0.08 -0.55 0.00 0.00 175.29 175.53 2gk1 s VAL 124 N -0.88 3.92 -0.12 1.34 1.01 -0.34 -4.44 120.40 120.89 2gk1 s VAL 124 Ca 0.14 -0.50 0.16 0.00 0.00 0.00 0.00 61.98 61.78 2gk1 s VAL 124 Cb -0.11 -2.92 -0.25 0.00 0.00 0.00 0.00 36.38 33.11 2gk1 s VAL 124 CO 0.03 0.23 0.40 0.00 0.00 0.00 0.00 175.10 175.77 2gk1 n GLN 125 N 4.86 0.66 -3.65 2.72 6.02 0.03 -4.48 117.38 123.54 2gk1 n GLN 125 Ca -0.16 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.56 2gk1 n GLN 125 Cb 0.50 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 30.30 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 -3.06 0.75 -0.51 -1.09 0.74 -1.23 -2.09 119.66 113.16 2gk1 s GLN 126 Ca -0.04 0.84 -0.03 0.00 0.05 0.00 0.00 55.36 56.18 2gk1 s GLN 126 Cb 0.11 0.37 0.13 0.00 1.10 0.00 0.00 33.01 34.72 2gk1 s GLN 126 CO 0.68 -0.10 0.31 -1.17 -0.55 0.00 0.00 175.29 174.47 2gk1 s LEU 127 N 0.25 5.22 0.12 3.68 2.96 0.67 -0.19 118.68 131.38 2gk1 s LEU 127 Ca -0.01 -2.44 -0.31 0.00 -0.22 0.00 0.00 54.13 51.16 2gk1 s LEU 127 Cb -0.04 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.74 2gk1 s LEU 127 CO 0.01 -0.46 1.36 -0.76 -1.32 0.00 0.00 176.35 175.18 2gk1 s LEU 128 N 0.55 4.37 -0.41 -0.68 1.43 -0.23 -2.90 118.68 120.80 2gk1 s LEU 128 Ca 0.12 2.29 -0.05 0.00 -1.03 0.00 0.00 54.13 55.47 2gk1 s LEU 128 Cb -0.22 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.52 2gk1 s LEU 128 CO -0.04 -0.61 0.22 -0.69 0.23 0.00 0.00 176.35 175.46 2gk1 s VAL 129 N 0.99 3.55 -0.40 -1.59 1.01 0.20 -0.07 120.40 124.09 2gk1 s VAL 129 Ca 0.63 -1.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 2gk1 s VAL 129 Cb -0.36 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2gk1 s VAL 129 CO 0.31 -0.63 0.28 -0.55 0.00 0.00 0.00 175.10 174.51 2gk1 s SER 130 N 1.97 6.03 -0.17 3.32 0.15 0.55 -2.23 113.70 123.33 2gk1 s SER 130 Ca 0.06 -0.93 -0.22 0.00 0.70 0.00 0.00 55.95 55.56 2gk1 s SER 130 Cb -0.23 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2gk1 s SER 130 CO -0.02 -0.44 0.68 -0.63 1.20 0.00 0.00 173.24 174.03 2gk1 s ILE 131 N 1.65 5.00 0.00 6.45 -1.09 -1.26 -0.52 121.20 131.43 2gk1 s ILE 131 Ca 0.04 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 2gk1 s ILE 131 Cb -0.19 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2gk1 s ILE 131 CO 0.09 0.12 0.00 0.41 -1.23 0.00 0.00 174.94 174.33 2gk1 n THR 132 N 4.52 0.00 -2.24 2.92 -1.04 0.65 -2.24 114.28 116.86 2gk1 n THR 132 Ca -0.00 0.49 -0.19 0.00 -2.04 0.00 0.00 64.05 62.31 2gk1 n THR 132 Cb 0.50 -1.46 0.11 0.00 -1.82 0.00 0.00 70.33 67.66 2gk1 n THR 132 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2gk1 n LEU 133 N -1.97 0.00 -4.46 -4.42 4.77 -0.49 -4.62 117.00 105.81 2gk1 n LEU 133 Ca 0.00 -1.41 -0.52 0.00 -0.03 0.00 0.00 56.01 54.05 2gk1 n LEU 133 Cb 0.00 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 2gk1 n LEU 133 CO 0.00 -0.98 1.75 1.67 -1.33 0.00 0.00 177.39 178.51 2gk1 n GLN 134 N -2.61 1.06 -0.27 3.23 7.27 -1.26 -4.71 117.38 120.09 2gk1 n GLN 134 Ca 0.12 0.30 0.07 0.00 0.07 0.00 0.00 57.00 57.57 2gk1 n GLN 134 Cb 0.44 -2.38 0.22 0.00 2.41 0.00 0.00 30.24 30.92 2gk1 n GLN 134 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2gk1 h SER 135 N 11.69 0.28 -3.89 1.69 4.64 -1.81 -3.45 113.55 122.70 2gk1 h SER 135 Ca -0.28 0.12 -0.32 0.00 -0.47 0.00 0.00 61.79 60.85 2gk1 h SER 135 Cb 1.32 0.10 0.06 0.00 -0.31 0.00 0.00 62.40 63.58 2gk1 h SER 135 CO 1.02 0.07 -0.49 -0.62 -0.87 0.00 0.00 176.83 175.94 2gk1 n GLU 136 N -5.02 -4.45 0.23 4.77 1.02 -1.26 -1.98 120.64 113.95 2gk1 n GLU 136 Ca 0.16 0.70 0.11 0.00 -0.02 0.00 0.00 57.16 58.11 2gk1 n GLU 136 Cb 0.48 -5.15 0.71 0.00 -0.02 0.00 0.00 31.44 27.46 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 -4.34 3.43 -4.95 0.00 8.00 -1.26 -4.62 116.55 112.81 2gk1 n ASP 138 Ca -0.01 -2.32 -0.20 0.00 0.71 0.00 0.00 54.79 52.97 2gk1 n ASP 138 Cb 0.16 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.57 4.02 0.08 2.24 0.00 -0.97 -5.12 121.76 120.45 2gk1 s ALA 139 Ca 0.32 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2gk1 s ALA 139 Cb 0.21 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 2gk1 s ALA 139 CO 0.16 0.09 0.54 -0.06 0.00 0.00 0.00 175.76 176.49 2gk1 s PHE 140 N -2.13 3.75 0.17 0.00 0.08 -1.26 -5.05 117.98 113.53 2gk1 s PHE 140 Ca 0.40 1.18 -0.31 0.00 0.12 0.00 0.00 56.93 58.32 2gk1 s PHE 140 Cb -0.09 -2.43 -0.09 0.00 -0.57 0.00 0.00 43.02 39.84 2gk1 s PHE 140 CO 0.29 0.56 1.41 -2.14 -0.10 0.00 0.00 175.22 175.23 2gk1 s PRO 141 N -1.32 4.31 0.19 0.24 0.02 -1.26 -5.04 135.00 132.14 2gk1 s PRO 141 Ca 0.30 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2gk1 s PRO 141 Cb -0.18 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2gk1 s PRO 141 CO 0.18 -0.42 0.04 0.27 -0.33 0.00 0.00 177.00 176.75 2gk1 n ASN 142 N 3.36 2.29 0.13 2.53 0.23 -1.26 -4.77 115.26 117.77 2gk1 n ASN 142 Ca 0.10 -1.79 -0.14 0.00 -0.53 0.00 0.00 54.58 52.22 2gk1 n ASN 142 Cb 0.41 0.09 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.95 0.83 0.00 1.53 6.09 -1.96 -3.01 117.51 121.94 2gk1 h ILE 143 Ca -0.15 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 2gk1 h ILE 143 Cb 0.47 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.72 2gk1 h ILE 143 CO 0.24 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 173.83 2gk1 n SER 144 N -5.17 1.63 -4.77 2.19 3.41 -1.26 -4.86 113.62 104.79 2gk1 n SER 144 Ca -0.09 -1.72 -0.38 0.00 -0.26 0.00 0.00 58.87 56.42 2gk1 n SER 144 Cb 0.17 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 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 0.37 6.51 -0.35 4.04 0.01 -1.14 -5.02 113.70 118.12 2gk1 s SER 145 Ca 0.00 2.28 -0.16 0.00 1.31 0.00 0.00 55.95 59.38 2gk1 s SER 145 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2gk1 s SER 145 CO 0.00 -0.68 0.41 -0.62 0.41 0.00 0.00 173.24 172.77 2gk1 s ASP 146 N -1.24 6.22 0.00 2.44 2.15 -1.26 -4.93 116.67 120.05 2gk1 s ASP 146 Ca 0.58 -0.23 0.09 0.00 0.43 0.00 0.00 52.55 53.42 2gk1 s ASP 146 Cb -0.29 -2.22 0.20 0.00 -0.30 0.00 0.00 42.92 40.31 2gk1 s ASP 146 CO 0.36 -0.41 1.08 -0.62 -0.17 0.00 0.00 175.17 175.41 2gk1 n GLU 147 N 5.51 2.02 -1.98 4.34 1.02 -1.26 -3.75 120.64 126.53 2gk1 n GLU 147 Ca -0.08 -1.67 -0.33 0.00 -0.02 0.00 0.00 57.16 55.07 2gk1 n GLU 147 Cb 0.49 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.93 5.65 0.30 1.62 1.04 -1.26 -4.09 113.70 116.03 2gk1 s SER 148 Ca 0.17 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.27 2gk1 s SER 148 Cb 0.10 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.70 2gk1 s SER 148 CO 0.13 -1.26 0.68 -0.72 0.98 0.00 0.00 173.24 173.05 2gk1 s TYR 149 N -2.45 0.04 -0.00 5.02 1.13 -0.08 -4.26 117.35 116.75 2gk1 s TYR 149 Ca 0.64 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 2gk1 s TYR 149 Cb -0.17 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 2gk1 s TYR 149 CO 0.38 -1.27 -0.01 0.95 -2.51 0.00 0.00 175.55 173.10 2gk1 s THR 150 N -3.53 0.08 -0.07 -3.49 -4.23 -0.23 -2.14 115.64 102.04 2gk1 s THR 150 Ca 0.15 -0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2gk1 s THR 150 Cb -0.05 -0.10 0.02 0.00 1.34 0.00 0.00 72.50 73.72 2gk1 s THR 150 CO 0.09 0.04 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.92 2gk1 s LEU 151 N 0.16 1.37 -0.19 4.79 2.96 -0.24 -1.19 118.68 126.33 2gk1 s LEU 151 Ca -0.01 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2gk1 s LEU 151 Cb -0.03 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 46.01 2gk1 s LEU 151 CO -0.00 -0.04 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.12 2gk1 s LEU 152 N 1.03 2.67 -0.30 -0.68 1.43 0.16 -1.37 118.68 121.62 2gk1 s LEU 152 Ca -0.09 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2gk1 s LEU 152 Cb -0.14 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2gk1 s LEU 152 CO -0.00 0.04 0.09 -0.69 0.23 0.00 0.00 176.35 176.01 2gk1 s VAL 153 N 1.12 3.99 0.00 -1.59 1.01 -0.59 -0.27 120.40 124.07 2gk1 s VAL 153 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2gk1 s VAL 153 Cb -0.14 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2gk1 s VAL 153 CO -0.03 0.05 0.00 2.29 0.00 0.00 0.00 175.10 177.41 2gk1 n LYS 154 N 4.87 0.00 -5.02 2.72 -0.00 -1.26 -2.45 118.16 117.02 2gk1 n LYS 154 Ca -0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.86 2gk1 n LYS 154 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.36 2gk1 n LYS 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2gk1 s GLU 155 N -1.91 1.99 0.00 -1.58 -1.05 -1.26 -3.81 118.70 111.08 2gk1 s GLU 155 Ca 0.00 -1.00 0.27 0.00 -0.15 0.00 0.00 54.97 54.09 2gk1 s GLU 155 Cb 0.00 -2.05 0.91 0.00 -0.44 0.00 0.00 34.13 32.55 2gk1 s GLU 155 CO 0.00 0.54 1.66 -0.35 0.95 0.00 0.00 175.26 178.06 2gk1 n PRO 156 N 2.02 1.42 -4.01 -4.83 -0.04 -1.26 -5.01 135.00 123.29 2gk1 n PRO 156 Ca -0.17 -0.85 -0.27 0.00 -0.04 0.00 0.00 63.50 62.17 2gk1 n PRO 156 Cb 0.52 -1.48 -0.17 0.00 -0.04 0.00 0.00 33.50 32.33 2gk1 n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gk1 s VAL 157 N -2.17 1.08 -0.01 0.52 1.01 -1.25 -0.79 120.40 118.80 2gk1 s VAL 157 Ca 0.33 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2gk1 s VAL 157 Cb 0.20 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2gk1 s VAL 157 CO 0.40 0.37 0.69 0.00 0.00 0.00 0.00 175.10 176.56 2gk1 s ALA 158 N 1.54 3.40 -0.26 5.51 0.00 0.73 -4.49 121.76 128.18 2gk1 s ALA 158 Ca 0.02 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2gk1 s ALA 158 Cb -0.13 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2gk1 s ALA 158 CO -0.07 0.04 0.17 0.08 0.00 0.00 0.00 175.76 175.99 2gk1 s VAL 159 N 0.17 5.28 -0.38 0.00 1.01 0.63 -1.07 120.40 126.04 2gk1 s VAL 159 Ca 0.36 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.52 2gk1 s VAL 159 Cb -0.19 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.81 2gk1 s VAL 159 CO 0.19 0.29 0.10 -0.22 0.00 0.00 0.00 175.10 175.47 2gk1 s LEU 160 N 1.51 4.76 0.13 3.92 2.96 0.89 0.39 118.68 133.24 2gk1 s LEU 160 Ca 0.07 -2.29 0.04 0.00 -0.22 0.00 0.00 54.13 51.73 2gk1 s LEU 160 Cb -0.15 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2gk1 s LEU 160 CO 0.08 -0.37 0.13 -0.75 -1.32 0.00 0.00 176.35 174.13 2gk1 s LYS 161 N 0.72 2.97 -0.22 1.98 2.20 -0.33 -0.33 119.74 126.72 2gk1 s LYS 161 Ca 0.12 -0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 54.68 2gk1 s LYS 161 Cb -0.20 -2.72 0.13 0.00 -1.51 0.00 0.00 37.83 33.53 2gk1 s LYS 161 CO -0.06 0.52 1.06 0.00 -0.36 0.00 0.00 175.35 176.51 2gk1 s ALA 162 N -1.62 -1.98 0.09 3.13 0.00 0.32 -1.06 121.76 120.64 2gk1 s ALA 162 Ca 0.31 1.72 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 2gk1 s ALA 162 Cb -0.11 -1.11 -0.13 0.00 0.00 0.00 0.00 23.12 21.77 2gk1 s ALA 162 CO 0.24 -0.26 1.65 -0.91 0.00 0.00 0.00 175.76 176.47 2gk1 h ASN 163 N 3.21 -0.66 -2.11 0.00 4.21 -1.84 0.19 115.58 118.58 2gk1 h ASN 163 Ca -0.22 0.05 -0.56 0.00 1.21 0.00 0.00 56.30 56.78 2gk1 h ASN 163 Cb 1.17 0.22 -0.10 0.00 -1.12 0.00 0.00 38.32 38.49 2gk1 h ASN 163 CO 0.22 -0.38 -0.63 -0.13 -1.29 0.00 0.00 177.43 175.22 2gk1 s ARG 164 N -6.07 2.23 0.34 0.81 1.81 -1.26 -1.39 118.95 115.41 2gk1 s ARG 164 Ca -0.16 -1.52 0.11 0.00 -1.72 0.00 0.00 55.73 52.44 2gk1 s ARG 164 Cb 0.06 -2.10 0.89 0.00 -0.45 0.00 0.00 34.95 33.35 2gk1 s ARG 164 CO 0.64 0.29 1.78 0.28 -0.68 0.00 0.00 175.30 177.60 2gk1 h VAL 165 N 1.85 0.63 -0.82 3.52 2.07 -1.70 -1.91 116.25 119.89 2gk1 h VAL 165 Ca -0.44 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2gk1 h VAL 165 Cb 1.25 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2gk1 h VAL 165 CO 0.62 0.11 0.37 -0.50 0.02 0.00 0.00 177.57 178.19 2gk1 h TRP 166 N 0.60 1.20 -0.74 1.57 4.06 -1.85 -1.62 115.95 119.18 2gk1 h TRP 166 Ca 0.58 -0.07 0.09 0.00 2.06 0.00 0.00 58.89 61.56 2gk1 h TRP 166 Cb 1.13 -0.37 -0.05 0.00 -1.00 0.00 0.00 29.16 28.87 2gk1 h TRP 166 CO -0.00 0.88 0.49 0.78 -3.56 0.00 0.00 178.44 177.02 2gk1 h GLY 167 N 1.19 0.92 1.49 1.49 0.00 -1.43 0.80 103.07 107.52 2gk1 h GLY 167 Ca 0.28 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2gk1 h GLY 167 CO -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 176.54 176.37 2gk1 h ALA 168 N 1.62 0.96 -0.22 3.60 0.00 -1.31 -0.13 119.26 123.78 2gk1 h ALA 168 Ca 0.34 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2gk1 h ALA 168 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2gk1 h ALA 168 CO -0.12 0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 179.47 2gk1 h LEU 169 N 0.50 0.56 -0.68 0.00 3.38 -0.61 0.28 115.31 118.73 2gk1 h LEU 169 Ca 0.06 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2gk1 h LEU 169 Cb 0.77 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2gk1 h LEU 169 CO 0.06 0.90 0.27 0.03 0.09 0.00 0.00 178.44 179.80 2gk1 h ARG 170 N 0.22 1.02 -0.08 1.13 2.47 -0.92 -2.80 114.38 115.42 2gk1 h ARG 170 Ca 0.04 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2gk1 h ARG 170 Cb 0.74 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2gk1 h ARG 170 CO 0.05 0.85 -0.00 0.78 0.56 0.00 0.00 179.97 182.21 2gk1 h GLY 171 N 0.97 0.15 1.12 0.04 0.00 -0.95 -2.60 103.07 101.80 2gk1 h GLY 171 Ca 0.23 -0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.57 2gk1 h GLY 171 CO -0.02 0.10 0.32 1.41 0.00 0.00 0.00 176.54 178.35 2gk1 h LEU 172 N -0.16 0.00 -0.06 3.11 3.38 -0.41 0.18 115.31 121.37 2gk1 h LEU 172 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2gk1 h LEU 172 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2gk1 h LEU 172 CO 0.00 0.00 -0.25 -0.08 0.09 0.00 0.00 178.44 178.21 2gk1 h GLU 173 N 0.00 0.27 -0.30 1.13 4.57 -1.41 -2.42 114.58 116.41 2gk1 h GLU 173 Ca 0.20 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2gk1 h GLU 173 Cb 0.85 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2gk1 h GLU 173 CO -0.00 0.86 0.18 1.15 -1.18 0.00 0.00 179.01 180.02 2gk1 h THR 174 N -0.25 1.09 -0.14 0.32 2.02 -0.63 -1.78 112.91 113.54 2gk1 h THR 174 Ca -0.01 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.79 2gk1 h THR 174 Cb 0.90 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2gk1 h THR 174 CO 0.05 0.09 -0.64 0.15 0.37 0.00 0.00 175.52 175.54 2gk1 h PHE 175 N 0.42 0.66 0.00 3.16 3.57 -0.76 -3.03 116.94 120.95 2gk1 h PHE 175 Ca 0.11 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2gk1 h PHE 175 Cb -0.02 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2gk1 h PHE 175 CO 0.00 1.01 0.00 -1.13 -2.23 0.00 0.00 178.31 175.96 2gk1 n SER 176 N -3.91 0.00 -0.76 0.41 3.41 -0.70 -2.43 113.62 109.63 2gk1 n SER 176 Ca -0.04 0.31 0.10 0.00 -0.26 0.00 0.00 58.87 58.98 2gk1 n SER 176 Cb 0.66 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 64.27 2gk1 n SER 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gk1 n GLN 177 N -1.41 1.70 -0.11 4.33 6.02 -1.00 -4.34 117.38 122.57 2gk1 n GLN 177 Ca 0.06 -1.63 -0.13 0.00 -0.01 0.00 0.00 57.00 55.30 2gk1 n GLN 177 Cb 0.19 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 29.93 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 1.05 1.05 -4.62 1.08 4.77 -1.02 -4.62 117.00 114.68 2gk1 n LEU 178 Ca 0.11 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 2gk1 n LEU 178 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2gk1 n LEU 178 CO 0.13 0.65 1.09 -0.69 -1.33 0.00 0.00 177.39 177.23 2gk1 s VAL 179 N -2.49 4.20 0.11 4.08 1.01 -1.22 -4.61 120.40 121.48 2gk1 s VAL 179 Ca -0.18 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2gk1 s VAL 179 Cb 0.07 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2gk1 s VAL 179 CO 0.74 -0.60 0.01 0.00 0.00 0.00 0.00 175.10 175.24 2gk1 n TYR 180 N 7.65 0.21 -5.05 5.22 4.11 -0.63 -4.95 117.16 123.72 2gk1 n TYR 180 Ca 0.14 -0.56 -0.31 0.00 -0.00 0.00 0.00 57.90 57.17 2gk1 n TYR 180 Cb 0.47 -0.06 -0.15 0.00 -0.00 0.00 0.00 39.34 39.61 2gk1 n TYR 180 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 2gk1 s GLN 181 N -2.39 2.09 0.00 -3.48 -0.21 -1.26 -0.94 119.66 113.47 2gk1 s GLN 181 Ca 0.01 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2gk1 s GLN 181 Cb 0.00 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.91 2gk1 s GLN 181 CO 0.01 0.56 0.00 -0.40 -2.12 0.00 0.00 175.29 173.33 2gk1 n ASP 182 N 2.13 0.00 0.07 5.90 5.68 -0.82 -4.92 116.55 124.58 2gk1 n ASP 182 Ca -0.16 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.08 2gk1 n ASP 182 Cb 0.52 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.00 0.35 -0.35 -1.12 0.02 -2.01 -3.24 113.55 107.19 2gk1 h SER 183 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2gk1 h SER 183 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2gk1 h SER 183 CO 0.00 0.76 0.00 -1.22 -1.14 0.00 0.00 176.83 175.23 2gk1 n TYR 184 N -3.98 0.45 -0.22 3.45 4.01 -1.26 -4.93 117.16 114.67 2gk1 n TYR 184 Ca -0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2gk1 n TYR 184 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.47 0.80 3.70 2.72 0.00 -1.22 -5.04 105.19 107.62 2gk1 n GLY 185 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.57 2.50 -0.22 2.61 2.01 -1.26 -4.72 115.64 113.99 2gk1 s THR 186 Ca 0.00 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 2gk1 s THR 186 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2gk1 s THR 186 CO 0.00 0.00 1.49 -0.36 -0.69 0.00 0.00 174.62 175.06 2gk1 s PHE 187 N 2.31 2.34 -0.03 4.92 0.08 -1.26 -1.94 117.98 124.39 2gk1 s PHE 187 Ca 0.78 0.66 0.06 0.00 0.12 0.00 0.00 56.93 58.55 2gk1 s PHE 187 Cb -0.46 -3.90 -0.01 0.00 -0.57 0.00 0.00 43.02 38.08 2gk1 s PHE 187 CO 0.35 -2.53 -0.22 0.99 -0.10 0.00 0.00 175.22 173.70 2gk1 s THR 188 N 4.67 1.74 -0.05 0.64 2.01 -0.12 -2.70 115.64 121.84 2gk1 s THR 188 Ca 0.65 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 2gk1 s THR 188 Cb -0.23 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2gk1 s THR 188 CO 0.26 0.49 -0.00 -0.51 -0.69 0.00 0.00 174.62 174.17 2gk1 s ILE 189 N -0.34 0.32 -0.08 1.82 2.07 -0.85 -1.60 121.20 122.53 2gk1 s ILE 189 Ca 0.04 0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 59.07 2gk1 s ILE 189 Cb -0.10 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 2gk1 s ILE 189 CO 0.01 0.22 1.28 0.20 -1.91 0.00 0.00 174.94 174.73 2gk1 s ASN 190 N 1.54 6.96 0.26 4.50 -0.87 -1.26 -2.25 114.94 123.82 2gk1 s ASN 190 Ca -0.02 1.85 -0.31 0.00 -1.57 0.00 0.00 52.86 52.81 2gk1 s ASN 190 Cb -0.13 -2.55 -0.13 0.00 -0.02 0.00 0.00 41.25 38.42 2gk1 s ASN 190 CO -0.03 -0.68 1.50 -1.84 -2.57 0.00 0.00 177.10 173.48 2gk1 n GLU 191 N 5.77 2.34 -3.87 -0.60 0.28 -0.92 -4.86 120.64 118.78 2gk1 n GLU 191 Ca 0.13 0.83 -0.10 0.00 -0.16 0.00 0.00 57.16 57.86 2gk1 n GLU 191 Cb 0.45 -2.56 0.01 0.00 1.43 0.00 0.00 31.44 30.78 2gk1 n GLU 191 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2gk1 s SER 192 N 0.44 0.27 -0.05 -1.84 1.04 -1.03 -2.90 113.70 109.63 2gk1 s SER 192 Ca 0.67 -1.27 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 2gk1 s SER 192 Cb -0.58 0.82 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2gk1 s SER 192 CO 0.48 -1.62 0.08 -0.89 0.98 0.00 0.00 173.24 172.26 2gk1 s THR 193 N -2.38 -0.12 -0.09 2.02 2.01 -1.03 -1.55 115.64 114.49 2gk1 s THR 193 Ca 0.19 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.58 2gk1 s THR 193 Cb -0.04 -0.17 0.02 0.00 0.01 0.00 0.00 72.50 72.32 2gk1 s THR 193 CO 0.14 0.16 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.50 2gk1 s ILE 194 N 1.99 1.08 -0.32 1.82 1.09 -0.47 -0.77 121.20 125.61 2gk1 s ILE 194 Ca 0.02 -0.37 -0.03 0.00 -1.10 0.00 0.00 60.65 59.17 2gk1 s ILE 194 Cb -0.12 -1.04 0.05 0.00 -1.06 0.00 0.00 42.46 40.28 2gk1 s ILE 194 CO -0.04 0.36 0.04 -0.63 -0.10 0.00 0.00 174.94 174.58 2gk1 s ILE 195 N 1.26 3.23 0.03 2.92 1.01 -0.96 -1.08 121.20 127.61 2gk1 s ILE 195 Ca -0.03 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.31 2gk1 s ILE 195 Cb -0.14 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 2gk1 s ILE 195 CO -0.03 -0.16 -0.12 -0.62 0.00 0.00 0.00 174.94 174.01 2gk1 s ASP 196 N 1.33 1.41 0.03 3.58 2.15 -0.91 -2.57 116.67 121.69 2gk1 s ASP 196 Ca -0.04 -0.38 -0.15 0.00 0.43 0.00 0.00 52.55 52.41 2gk1 s ASP 196 Cb -0.20 -0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.35 2gk1 s ASP 196 CO -0.00 0.03 0.34 -0.94 -0.17 0.00 0.00 175.17 174.43 2gk1 s SER 197 N -0.92 -0.19 0.24 -0.34 1.04 -1.26 -0.90 113.70 111.38 2gk1 s SER 197 Ca 0.01 -0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 2gk1 s SER 197 Cb -0.07 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 2gk1 s SER 197 CO 0.01 -0.61 1.20 -2.16 0.98 0.00 0.00 173.24 172.66 2gk1 s PRO 198 N -2.34 4.50 0.15 4.02 0.04 -1.26 -4.78 135.00 135.33 2gk1 s PRO 198 Ca -0.06 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2gk1 s PRO 198 Cb -0.01 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2gk1 s PRO 198 CO -0.02 -0.04 1.42 -0.09 0.04 0.00 0.00 177.00 178.31 2gk1 h ARG 199 N 4.54 0.68 -5.51 4.56 2.43 -1.18 -3.44 114.38 116.45 2gk1 h ARG 199 Ca -0.46 -0.48 -0.58 0.00 -0.81 0.00 0.00 59.98 57.65 2gk1 h ARG 199 Cb 1.22 0.08 -0.31 0.00 -0.42 0.00 0.00 29.97 30.53 2gk1 h ARG 199 CO 0.71 1.10 -0.85 -0.06 -1.51 0.00 0.00 179.97 179.36 2gk1 s PHE 200 N -3.90 1.81 -2.46 2.20 0.08 -0.55 -5.02 117.98 110.14 2gk1 s PHE 200 Ca -0.09 -0.49 0.24 0.00 0.12 0.00 0.00 56.93 56.72 2gk1 s PHE 200 Cb 0.10 -1.20 0.75 0.00 -0.57 0.00 0.00 43.02 42.10 2gk1 s PHE 200 CO 0.87 -0.14 1.57 -1.13 -0.10 0.00 0.00 175.22 176.28 2gk1 n SER 201 N 3.00 1.97 -3.86 1.36 3.41 -1.12 -4.51 113.62 113.86 2gk1 n SER 201 Ca -0.17 -1.70 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 2gk1 n SER 201 Cb 0.53 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.85 2.74 -0.33 7.33 5.65 -1.10 -4.88 115.29 122.84 2gk1 s HIS 202 Ca 0.35 -2.85 0.03 0.00 0.25 0.00 0.00 55.06 52.83 2gk1 s HIS 202 Cb 0.20 -2.46 0.09 0.00 -1.18 0.00 0.00 32.58 29.23 2gk1 s HIS 202 CO 0.30 -0.77 0.03 1.03 -0.65 0.00 0.00 174.74 174.67 2gk1 s ARG 203 N 0.07 1.76 0.47 2.88 0.52 -1.26 -0.76 118.95 122.63 2gk1 s ARG 203 Ca 0.17 -1.72 0.02 0.00 -0.52 0.00 0.00 55.73 53.68 2gk1 s ARG 203 Cb -0.25 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 2gk1 s ARG 203 CO -0.01 -0.85 0.08 0.20 0.02 0.00 0.00 175.30 174.74 2gk1 s GLY 204 N 1.06 2.90 0.00 -3.53 0.00 -0.74 0.24 107.32 107.26 2gk1 s GLY 204 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.14 2gk1 s GLY 204 CO -0.07 -2.02 -0.04 -0.42 0.00 0.00 0.00 173.10 170.56 2gk1 s ILE 205 N -3.04 0.26 -0.26 0.90 -1.09 -0.91 -2.57 121.20 114.49 2gk1 s ILE 205 Ca 0.12 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.16 2gk1 s ILE 205 Cb 0.01 -0.26 -0.02 0.00 -1.58 0.00 0.00 42.46 40.61 2gk1 s ILE 205 CO 0.08 -0.03 0.09 -0.22 -1.23 0.00 0.00 174.94 173.63 2gk1 s LEU 206 N -0.35 3.58 0.00 2.97 0.20 -1.16 0.53 118.68 124.44 2gk1 s LEU 206 Ca -0.01 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.54 2gk1 s LEU 206 Cb -0.03 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 2gk1 s LEU 206 CO -0.00 -0.07 0.05 0.27 -0.29 0.00 0.00 176.35 176.31 2gk1 s ILE 207 N 1.61 4.49 -0.36 6.68 -4.36 -0.84 -0.88 121.20 127.54 2gk1 s ILE 207 Ca 0.06 -0.51 -0.01 0.00 -0.26 0.00 0.00 60.65 59.93 2gk1 s ILE 207 Cb -0.16 -3.04 0.09 0.00 1.25 0.00 0.00 42.46 40.60 2gk1 s ILE 207 CO 0.04 0.34 0.10 -0.62 0.24 0.00 0.00 174.94 175.05 2gk1 s ASP 208 N -1.71 5.02 -0.02 4.36 -1.08 -1.22 -1.36 116.67 120.64 2gk1 s ASP 208 Ca 0.22 -1.83 0.19 0.00 -0.52 0.00 0.00 52.55 50.60 2gk1 s ASP 208 Cb -0.12 -1.74 0.57 0.00 -1.46 0.00 0.00 42.92 40.17 2gk1 s ASP 208 CO 0.13 -0.42 1.48 0.35 0.52 0.00 0.00 175.17 177.23 2gk1 n THR 209 N 4.52 1.17 -0.07 1.71 -2.24 -1.06 -4.12 114.28 114.19 2gk1 n THR 209 Ca -0.04 -1.06 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 2gk1 n THR 209 Cb 0.42 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.21 2.80 0.21 3.42 2.88 -1.23 -4.16 113.62 118.75 2gk1 n SER 210 Ca 0.21 -0.07 0.05 0.00 -1.33 0.00 0.00 58.87 57.74 2gk1 n SER 210 Cb 0.62 -0.24 0.44 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.02 0.00 -2.93 -1.46 -0.00 -1.81 -3.23 114.38 104.93 2gk1 h ARG 211 Ca -0.33 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.02 2gk1 h ARG 211 Cb 1.51 0.00 -0.22 0.00 0.00 0.00 0.00 29.97 31.26 2gk1 h ARG 211 CO -0.06 0.31 -0.27 -1.01 0.00 0.00 0.00 179.97 178.94 2gk1 s HIS 212 N -4.11 -0.29 0.10 3.04 3.76 -1.23 -4.80 115.29 111.76 2gk1 s HIS 212 Ca -0.02 0.60 -0.23 0.00 -0.15 0.00 0.00 55.06 55.25 2gk1 s HIS 212 Cb 0.14 0.12 -0.07 0.00 1.11 0.00 0.00 32.58 33.88 2gk1 s HIS 212 CO 0.68 -0.31 0.71 -0.47 -0.85 0.00 0.00 174.74 174.51 2gk1 s TYR 213 N -0.65 3.82 -0.13 1.40 5.04 -1.26 -3.97 117.35 121.60 2gk1 s TYR 213 Ca -0.07 1.47 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 2gk1 s TYR 213 Cb -0.04 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.58 2gk1 s TYR 213 CO 0.03 0.46 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.96 2gk1 s LEU 214 N -0.77 2.12 0.28 6.97 1.43 -1.26 -4.40 118.68 123.06 2gk1 s LEU 214 Ca 0.34 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2gk1 s LEU 214 Cb -0.21 -1.44 -0.11 0.00 0.03 0.00 0.00 46.19 44.46 2gk1 s LEU 214 CO 0.23 0.10 1.48 -2.84 0.23 0.00 0.00 176.35 175.55 2gk1 s PRO 215 N 0.70 4.22 0.58 1.29 0.02 -1.26 -4.86 135.00 135.69 2gk1 s PRO 215 Ca -0.10 2.40 0.34 0.00 0.02 0.00 0.00 61.00 63.66 2gk1 s PRO 215 Cb -0.16 -3.07 1.39 0.00 0.02 0.00 0.00 34.50 32.68 2gk1 s PRO 215 CO 0.01 -0.48 1.67 0.28 -0.33 0.00 0.00 177.00 178.15 2gk1 h VAL 216 N 3.42 0.23 -0.57 3.83 2.07 -1.99 0.64 116.25 123.89 2gk1 h VAL 216 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2gk1 h VAL 216 Cb 1.22 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2gk1 h VAL 216 CO 0.76 0.00 0.37 0.11 0.02 0.00 0.00 177.57 178.83 2gk1 h LYS 217 N 0.00 0.75 0.00 1.57 1.57 -2.00 -2.51 116.57 115.95 2gk1 h LYS 217 Ca 0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2gk1 h LYS 217 Cb 2.34 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.48 2gk1 h LYS 217 CO -0.01 0.50 0.00 0.97 -0.57 0.00 0.00 179.45 180.35 2gk1 h ILE 218 N 0.77 0.00 -0.06 1.86 2.10 -1.22 -0.96 117.51 120.00 2gk1 h ILE 218 Ca 0.21 -0.82 -0.03 0.00 1.08 0.00 0.00 64.86 65.29 2gk1 h ILE 218 Cb -0.08 1.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2gk1 h ILE 218 CO -0.04 0.00 -0.08 0.40 -1.08 0.00 0.00 178.15 177.34 2gk1 h ILE 219 N 0.00 1.40 -0.73 2.19 2.04 -1.55 -2.41 117.51 118.45 2gk1 h ILE 219 Ca 0.00 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 2gk1 h ILE 219 Cb 0.85 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2gk1 h ILE 219 CO 0.00 0.37 0.23 -0.07 0.00 0.00 0.00 178.15 178.67 2gk1 h LEU 220 N -0.32 1.06 -0.71 1.44 3.38 -1.34 0.11 115.31 118.93 2gk1 h LEU 220 Ca 0.01 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2gk1 h LEU 220 Cb 0.63 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2gk1 h LEU 220 CO 0.02 0.99 0.40 0.11 0.09 0.00 0.00 178.44 180.04 2gk1 h LYS 221 N 1.09 0.69 -0.03 1.13 1.57 -1.23 0.90 116.57 120.69 2gk1 h LYS 221 Ca 0.24 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 2gk1 h LYS 221 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2gk1 h LYS 221 CO -0.01 0.46 -0.53 1.15 -0.57 0.00 0.00 179.45 179.95 2gk1 h THR 222 N 0.71 1.37 -0.20 -0.16 2.02 -0.96 -0.72 112.91 114.98 2gk1 h THR 222 Ca 0.33 -1.82 -0.08 0.00 0.77 0.00 0.00 66.41 65.61 2gk1 h THR 222 Cb 0.24 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2gk1 h THR 222 CO -0.20 0.53 -0.22 -0.07 0.37 0.00 0.00 175.52 175.92 2gk1 h LEU 223 N 0.07 0.36 -0.54 2.58 3.38 -0.19 0.19 115.31 121.16 2gk1 h LEU 223 Ca -0.00 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2gk1 h LEU 223 Cb 0.96 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2gk1 h LEU 223 CO 0.07 0.59 -0.36 0.44 0.09 0.00 0.00 178.44 179.27 2gk1 h ASP 224 N 0.33 0.83 1.02 -0.43 3.32 -0.26 -2.54 116.42 118.69 2gk1 h ASP 224 Ca 0.05 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 2gk1 h ASP 224 Cb 0.57 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2gk1 h ASP 224 CO 0.04 1.11 -0.57 0.00 -1.72 0.00 0.00 179.24 178.10 2gk1 h ALA 225 N 0.93 0.78 0.00 3.45 0.00 -0.88 -2.95 119.26 120.59 2gk1 h ALA 225 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gk1 h ALA 225 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gk1 h ALA 225 CO 0.08 0.71 0.00 0.52 0.00 0.00 0.00 179.25 180.56 2gk1 h MET 226 N 0.00 0.00 -0.02 0.00 2.86 -0.59 -2.53 114.93 114.66 2gk1 h MET 226 Ca -0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 2gk1 h MET 226 Cb 1.23 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.91 2gk1 h MET 226 CO 0.07 0.00 -0.75 0.00 1.06 0.00 0.00 176.91 177.29 2gk1 h ALA 227 N 2.04 0.11 -0.79 6.32 0.00 -1.40 0.12 119.26 125.66 2gk1 h ALA 227 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.32 2gk1 h ALA 227 Cb 0.89 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2gk1 h ALA 227 CO 0.00 0.48 0.51 0.74 0.00 0.00 0.00 179.25 180.98 2gk1 h PHE 228 N 0.11 0.97 -0.54 0.00 0.04 -1.43 -2.88 116.94 113.21 2gk1 h PHE 228 Ca -0.09 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 2gk1 h PHE 228 Cb 1.43 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 39.19 2gk1 h PHE 228 CO 0.13 0.58 0.15 0.09 -0.60 0.00 0.00 178.31 178.66 2gk1 n ASN 229 N -4.57 4.34 -4.02 2.17 3.02 -0.96 -4.75 115.26 110.50 2gk1 n ASN 229 Ca 0.08 -2.87 -0.38 0.00 -0.03 0.00 0.00 54.58 51.39 2gk1 n ASN 229 Cb 0.05 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.12 -0.94 -4.03 3.52 5.02 -1.09 -4.72 118.16 116.03 2gk1 n LYS 230 Ca 0.28 0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 56.44 2gk1 n LYS 230 Cb 1.10 -3.30 -0.06 0.00 -0.02 0.00 0.00 35.03 32.76 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 -3.72 3.36 0.00 2.13 0.08 0.43 -4.91 117.98 115.35 2gk1 s PHE 231 Ca 0.34 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.63 2gk1 s PHE 231 Cb -0.17 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2gk1 s PHE 231 CO 0.94 0.58 0.42 0.27 -0.10 0.00 0.00 175.22 177.33 2gk1 n ASN 232 N 1.01 0.80 -3.94 1.36 6.94 0.14 -4.55 115.26 117.02 2gk1 n ASN 232 Ca -0.12 -1.07 -0.15 0.00 -0.02 0.00 0.00 54.58 53.22 2gk1 n ASN 232 Cb 0.52 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.80 2gk1 n ASN 232 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2gk1 s VAL 233 N -0.07 0.33 -0.29 3.53 1.01 -0.90 0.62 120.40 124.63 2gk1 s VAL 233 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 2gk1 s VAL 233 Cb 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.13 2gk1 s VAL 233 CO 0.00 0.06 -0.00 -0.22 0.00 0.00 0.00 175.10 174.94 2gk1 s LEU 234 N -0.19 3.71 -0.82 3.92 2.96 0.27 -2.13 118.68 126.40 2gk1 s LEU 234 Ca 0.01 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.58 2gk1 s LEU 234 Cb -0.02 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.99 2gk1 s LEU 234 CO -0.00 -0.22 1.30 -2.28 -1.32 0.00 0.00 176.35 173.82 2gk1 s HIS 235 N 1.31 2.42 -0.47 5.38 5.65 0.19 0.20 115.29 129.97 2gk1 s HIS 235 Ca -0.03 -0.38 -0.26 0.00 0.25 0.00 0.00 55.06 54.64 2gk1 s HIS 235 Cb -0.19 -4.61 0.03 0.00 -1.18 0.00 0.00 32.58 26.64 2gk1 s HIS 235 CO -0.01 -1.98 0.96 -0.46 -0.65 0.00 0.00 174.74 172.60 2gk1 s TRP 236 N 5.24 2.89 -1.18 3.88 -0.11 0.70 -1.98 118.94 128.37 2gk1 s TRP 236 Ca 0.37 0.41 -0.12 0.00 1.22 0.00 0.00 56.10 57.98 2gk1 s TRP 236 Cb -0.06 -4.05 0.21 0.00 -1.50 0.00 0.00 33.47 28.07 2gk1 s TRP 236 CO 0.06 -1.15 1.38 1.58 -4.62 0.00 0.00 176.95 174.20 2gk1 n HIS 237 N 7.30 4.83 -0.05 5.86 -0.00 -0.47 -0.14 115.22 132.54 2gk1 n HIS 237 Ca 0.07 -3.46 -0.15 0.00 -0.00 0.00 0.00 57.72 54.18 2gk1 n HIS 237 Cb 0.49 -1.99 -0.08 0.00 -0.00 0.00 0.00 29.99 28.41 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 4.23 1.36 -3.14 3.57 2.10 -1.80 -2.81 117.51 121.02 2gk1 h ILE 238 Ca 0.28 -1.64 -0.64 0.00 1.08 0.00 0.00 64.86 63.93 2gk1 h ILE 238 Cb 0.84 2.05 -0.16 0.00 -1.09 0.00 0.00 36.82 38.46 2gk1 h ILE 238 CO 1.21 0.49 -0.76 0.68 -1.08 0.00 0.00 178.15 178.69 2gk1 s VAL 239 N -3.91 2.88 0.04 2.19 -7.23 -1.26 -3.47 120.40 109.64 2gk1 s VAL 239 Ca -0.13 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2gk1 s VAL 239 Cb 0.06 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2gk1 s VAL 239 CO 0.80 -0.09 0.10 -0.67 -0.31 0.00 0.00 175.10 174.93 2gk1 n ASP 240 N 0.19 -0.25 -0.06 4.85 -0.08 -1.17 -4.56 116.55 115.47 2gk1 n ASP 240 Ca -0.12 -1.16 0.03 0.00 -1.51 0.00 0.00 54.79 52.03 2gk1 n ASP 240 Cb 0.55 0.41 0.37 0.00 2.34 0.00 0.00 41.12 44.79 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 0.22 0.59 -0.01 1.67 3.32 -1.92 -3.25 116.42 117.03 2gk1 h ASP 241 Ca -0.04 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 2gk1 h ASP 241 Cb 0.14 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.56 2gk1 h ASP 241 CO 0.05 0.44 -0.76 1.56 -1.72 0.00 0.00 179.24 178.80 2gk1 h GLN 242 N 0.69 0.54 -2.85 3.56 7.50 -1.95 -3.07 115.11 119.52 2gk1 h GLN 242 Ca 0.18 -0.56 -0.05 0.00 0.50 0.00 0.00 58.65 58.72 2gk1 h GLN 242 Cb -0.06 0.16 -0.15 0.00 0.05 0.00 0.00 27.48 27.48 2gk1 h GLN 242 CO -0.04 1.19 0.09 -1.54 -1.50 0.00 0.00 178.83 177.03 2gk1 s SER 243 N -6.96 -0.47 -0.62 1.46 1.04 -1.22 -4.79 113.70 102.15 2gk1 s SER 243 Ca -0.12 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.46 2gk1 s SER 243 Cb 0.05 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.85 2gk1 s SER 243 CO 0.86 -0.80 0.41 0.12 0.98 0.00 0.00 173.24 174.81 2gk1 s PHE 244 N -2.91 3.19 -0.21 5.02 2.19 -0.85 -3.02 117.98 121.40 2gk1 s PHE 244 Ca -0.03 -3.17 0.22 0.00 0.33 0.00 0.00 56.93 54.28 2gk1 s PHE 244 Cb -0.00 -2.55 0.44 0.00 -1.31 0.00 0.00 43.02 39.59 2gk1 s PHE 244 CO -0.05 -0.63 1.62 -1.00 1.83 0.00 0.00 175.22 176.99 2gk1 h PRO 245 N 5.78 0.00 -6.59 10.12 0.13 -1.80 -3.05 132.00 136.59 2gk1 h PRO 245 Ca 0.09 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.69 2gk1 h PRO 245 Cb 0.81 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.98 2gk1 h PRO 245 CO 0.67 0.20 0.81 -0.47 -0.23 0.00 0.00 178.00 178.98 2gk1 s TYR 246 N -3.24 3.13 -0.36 1.56 5.04 -1.26 -0.22 117.35 122.00 2gk1 s TYR 246 Ca 0.04 0.77 -0.19 0.00 -2.44 0.00 0.00 57.07 55.26 2gk1 s TYR 246 Cb 0.07 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.55 2gk1 s TYR 246 CO 0.68 -2.98 0.58 -1.14 -1.34 0.00 0.00 175.55 171.34 2gk1 s GLN 247 N 1.03 3.63 0.12 4.97 0.74 -0.89 -4.06 119.66 125.21 2gk1 s GLN 247 Ca 0.67 -0.06 -0.18 0.00 0.05 0.00 0.00 55.36 55.84 2gk1 s GLN 247 Cb -0.41 -3.81 -0.07 0.00 1.10 0.00 0.00 33.01 29.82 2gk1 s GLN 247 CO 0.32 -0.70 0.59 0.45 -0.55 0.00 0.00 175.29 175.39 2gk1 s SER 248 N 1.78 7.00 -0.15 6.67 0.15 -1.26 -4.60 113.70 123.30 2gk1 s SER 248 Ca 0.22 1.24 -0.25 0.00 0.70 0.00 0.00 55.95 57.85 2gk1 s SER 248 Cb -0.15 -2.35 -0.24 0.00 -1.71 0.00 0.00 66.02 61.57 2gk1 s SER 248 CO 0.14 0.19 0.60 0.40 1.20 0.00 0.00 173.24 175.77 2gk1 h ILE 249 N 3.20 1.46 -0.31 6.45 2.04 -1.97 -2.90 117.51 125.49 2gk1 h ILE 249 Ca -0.49 -2.32 -0.08 0.00 1.00 0.00 0.00 64.86 62.97 2gk1 h ILE 249 Cb 1.20 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 40.26 2gk1 h ILE 249 CO 0.64 0.54 -0.14 0.74 0.00 0.00 0.00 178.15 179.93 2gk1 h THR 250 N -0.90 1.24 -2.74 -0.27 2.02 -1.95 -3.35 112.91 106.96 2gk1 h THR 250 Ca -0.14 -1.08 -0.61 0.00 0.77 0.00 0.00 66.41 65.35 2gk1 h THR 250 Cb 1.19 1.16 -0.40 0.00 -1.74 0.00 0.00 68.15 68.36 2gk1 h THR 250 CO -0.05 0.36 -0.77 -0.36 0.37 0.00 0.00 175.52 175.07 2gk1 s PHE 251 N -4.71 2.29 0.35 3.16 0.08 -1.26 -4.96 117.98 112.92 2gk1 s PHE 251 Ca -0.07 -2.79 0.02 0.00 0.12 0.00 0.00 56.93 54.21 2gk1 s PHE 251 Cb 0.14 -1.80 0.63 0.00 -0.57 0.00 0.00 43.02 41.42 2gk1 s PHE 251 CO 0.79 -0.70 2.00 -1.00 -0.10 0.00 0.00 175.22 176.21 2gk1 h PRO 252 N 5.61 0.85 0.00 0.24 0.13 -1.65 -2.79 132.00 134.38 2gk1 h PRO 252 Ca 0.19 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2gk1 h PRO 252 Cb 0.84 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2gk1 h PRO 252 CO 0.54 0.56 0.00 0.39 -0.23 0.00 0.00 178.00 179.26 2gk1 n GLU 253 N -4.44 0.02 0.08 0.86 -0.58 -1.26 -1.93 120.64 113.39 2gk1 n GLU 253 Ca 0.08 0.35 -0.06 0.00 -0.42 0.00 0.00 57.16 57.11 2gk1 n GLU 253 Cb 0.07 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2gk1 n GLU 253 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2gk1 h LEU 254 N 0.00 0.29 0.09 -4.62 3.38 -1.69 -2.95 115.31 109.80 2gk1 h LEU 254 Ca 0.00 -0.17 -0.36 0.00 0.09 0.00 0.00 57.88 57.43 2gk1 h LEU 254 Cb 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2gk1 h LEU 254 CO 0.00 0.85 -2.07 -1.54 0.09 0.00 0.00 178.44 175.77 2gk1 n SER 255 N -3.85 1.93 0.33 -0.43 3.41 -0.81 -3.35 113.62 110.84 2gk1 n SER 255 Ca -0.03 0.16 0.22 0.00 -0.26 0.00 0.00 58.87 58.96 2gk1 n SER 255 Cb 0.64 -0.65 1.17 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.05 0.00 0.00 4.04 4.21 -1.51 -0.90 115.58 121.47 2gk1 h ASN 256 Ca -0.44 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.04 2gk1 h ASN 256 Cb 2.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.21 2gk1 h ASN 256 CO 0.05 0.00 -1.12 0.29 -1.29 0.00 0.00 177.43 175.37 2gk1 n LYS 257 N -3.18 2.59 0.01 0.81 4.01 -1.12 -4.83 118.16 116.45 2gk1 n LYS 257 Ca -0.03 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.65 2gk1 n LYS 257 Cb 0.08 -1.05 -0.14 0.00 -0.51 0.00 0.00 35.03 33.42 2gk1 n LYS 257 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 2gk1 h GLY 258 N 0.37 0.10 -1.80 0.72 0.00 -1.49 -3.46 103.07 97.51 2gk1 h GLY 258 Ca -0.04 -0.26 -0.52 0.00 0.00 0.00 0.00 47.33 46.51 2gk1 h GLY 258 CO 0.00 0.23 0.40 -1.35 0.00 0.00 0.00 176.54 175.82 2gk1 s SER 259 N -6.50 4.66 0.11 0.19 1.04 -0.37 -2.02 113.70 110.81 2gk1 s SER 259 Ca -0.07 2.25 -0.33 0.00 0.48 0.00 0.00 55.95 58.28 2gk1 s SER 259 Cb 0.08 -2.58 -0.13 0.00 0.10 0.00 0.00 66.02 63.49 2gk1 s SER 259 CO 0.82 -1.95 1.53 1.88 0.98 0.00 0.00 173.24 176.51 2gk1 h TYR 260 N 0.02 -1.57 -4.43 5.02 0.05 -1.87 -3.45 116.97 110.73 2gk1 h TYR 260 Ca -0.48 0.06 -0.29 0.00 0.05 0.00 0.00 58.73 58.07 2gk1 h TYR 260 Cb 1.28 0.70 -0.12 0.00 1.01 0.00 0.00 36.73 39.61 2gk1 h TYR 260 CO 0.49 -0.53 -0.40 -1.54 -1.05 0.00 0.00 178.16 175.13 2gk1 s SER 261 N -4.78 0.77 0.24 3.88 1.04 -1.26 -5.01 113.70 108.58 2gk1 s SER 261 Ca -0.15 -1.46 0.23 0.00 0.48 0.00 0.00 55.95 55.05 2gk1 s SER 261 Cb 0.07 0.53 0.96 0.00 0.10 0.00 0.00 66.02 67.68 2gk1 s SER 261 CO 0.59 -1.07 1.70 0.18 0.98 0.00 0.00 173.24 175.62 2gk1 n LEU 262 N -0.47 0.63 0.06 2.42 4.32 -1.26 -1.73 117.00 120.98 2gk1 n LEU 262 Ca 0.03 0.65 -0.23 0.00 -0.02 0.00 0.00 56.01 56.44 2gk1 n LEU 262 Cb 0.63 -0.57 -0.15 0.00 -1.62 0.00 0.00 43.42 41.72 2gk1 n LEU 262 CO 0.30 -0.53 -0.56 0.77 -1.22 0.00 0.00 177.39 176.15 2gk1 h SER 263 N 0.00 0.59 0.00 -1.43 4.64 -1.99 -3.40 113.55 111.96 2gk1 h SER 263 Ca 0.00 -0.94 -0.58 0.00 -0.47 0.00 0.00 61.79 59.81 2gk1 h SER 263 Cb 0.37 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2gk1 h SER 263 CO 0.00 1.79 2.75 1.41 -0.87 0.00 0.00 176.83 181.91 2gk1 n HIS 264 N -3.60 2.07 -4.06 4.77 8.25 -0.70 -4.83 115.22 117.11 2gk1 n HIS 264 Ca -0.26 -2.23 -0.11 0.00 -0.26 0.00 0.00 57.72 54.87 2gk1 n HIS 264 Cb 1.06 -1.94 -0.11 0.00 1.12 0.00 0.00 29.99 30.12 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 3.81 0.39 -0.35 1.59 1.01 -1.26 -4.43 120.40 121.16 2gk1 s VAL 265 Ca 0.51 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2gk1 s VAL 265 Cb 0.13 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.81 2gk1 s VAL 265 CO 0.01 -0.57 0.10 -0.31 0.00 0.00 0.00 175.10 174.33 2gk1 s TYR 266 N -2.05 3.35 0.72 5.22 4.12 0.69 -4.99 117.35 124.40 2gk1 s TYR 266 Ca -0.07 -1.85 -0.11 0.00 0.02 0.00 0.00 57.07 55.06 2gk1 s TYR 266 Cb -0.06 -2.48 0.03 0.00 -1.52 0.00 0.00 41.96 37.93 2gk1 s TYR 266 CO -0.02 -0.83 1.08 0.95 0.02 0.00 0.00 175.55 176.75 2gk1 s THR 267 N 1.28 3.66 0.28 -0.71 -4.23 -1.26 -2.09 115.64 112.55 2gk1 s THR 267 Ca -0.00 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 2gk1 s THR 267 Cb -0.21 -3.17 0.41 0.00 1.34 0.00 0.00 72.50 70.88 2gk1 s THR 267 CO -0.01 -0.67 1.46 -2.65 -0.54 0.00 0.00 174.62 172.21 2gk1 n PRO 268 N -3.19 -0.08 -0.04 3.99 -0.02 -1.26 -0.41 135.00 133.99 2gk1 n PRO 268 Ca 0.08 1.43 -0.05 0.00 -2.02 0.00 0.00 63.50 62.95 2gk1 n PRO 268 Cb 0.53 -2.20 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 2gk1 n PRO 268 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2gk1 h ASN 269 N 0.00 0.62 -0.08 2.55 -1.24 -1.98 -0.99 115.58 114.46 2gk1 h ASN 269 Ca 0.51 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.34 2gk1 h ASN 269 Cb 0.93 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 2gk1 h ASN 269 CO -0.92 0.81 -0.04 0.44 -1.29 0.00 0.00 177.43 176.43 2gk1 h ASP 270 N 0.57 -0.13 0.14 1.15 3.32 -1.06 0.19 116.42 120.60 2gk1 h ASP 270 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2gk1 h ASP 270 Cb 0.62 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2gk1 h ASP 270 CO 0.04 -0.05 -0.18 0.58 -1.72 0.00 0.00 179.24 177.91 2gk1 h VAL 271 N -0.03 0.60 -0.76 -1.35 2.07 -1.08 -2.03 116.25 113.67 2gk1 h VAL 271 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 2gk1 h VAL 271 Cb 0.10 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2gk1 h VAL 271 CO -0.10 0.00 0.42 -0.09 0.02 0.00 0.00 177.57 177.82 2gk1 h ARG 272 N -0.37 0.72 -0.23 1.57 2.43 -1.00 -1.74 114.38 115.77 2gk1 h ARG 272 Ca 0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2gk1 h ARG 272 Cb 0.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2gk1 h ARG 272 CO -0.07 0.47 0.13 1.98 -1.51 0.00 0.00 179.97 180.97 2gk1 h MET 273 N 0.74 0.27 -0.75 0.20 4.05 -0.36 -0.20 114.93 118.88 2gk1 h MET 273 Ca 0.36 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2gk1 h MET 273 Cb 0.30 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 2gk1 h MET 273 CO -0.23 0.18 0.49 0.28 0.23 0.00 0.00 176.91 177.87 2gk1 h VAL 274 N 0.28 1.19 -0.09 -5.77 2.07 -1.03 -0.98 116.25 111.91 2gk1 h VAL 274 Ca 0.09 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2gk1 h VAL 274 Cb -0.01 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2gk1 h VAL 274 CO -0.04 0.18 0.05 0.40 0.02 0.00 0.00 177.57 178.19 2gk1 h ILE 275 N 1.01 1.08 0.00 4.57 2.04 -0.89 -0.53 117.51 124.79 2gk1 h ILE 275 Ca 0.27 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 2gk1 h ILE 275 Cb -0.11 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2gk1 h ILE 275 CO -0.06 0.07 -0.19 -0.33 0.00 0.00 0.00 178.15 177.64 2gk1 h GLU 276 N 0.07 0.00 0.06 2.37 4.39 -0.95 -1.52 114.58 119.00 2gk1 h GLU 276 Ca 0.03 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.49 2gk1 h GLU 276 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2gk1 h GLU 276 CO -0.01 0.19 -1.16 -0.92 -1.16 0.00 0.00 179.01 175.95 2gk1 h TYR 277 N 0.00 0.24 -0.06 4.33 3.20 -1.00 -3.03 116.97 120.66 2gk1 h TYR 277 Ca -0.00 -0.18 -0.23 0.00 3.14 0.00 0.00 58.73 61.46 2gk1 h TYR 277 Cb 0.83 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.10 2gk1 h TYR 277 CO 0.00 1.15 -0.90 0.00 -1.64 0.00 0.00 178.16 176.77 2gk1 h ALA 278 N 0.79 0.30 -0.95 1.82 0.00 -0.97 -3.30 119.26 116.94 2gk1 h ALA 278 Ca -0.09 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.19 2gk1 h ALA 278 Cb 1.88 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2gk1 h ALA 278 CO 0.16 0.73 0.62 -0.09 0.00 0.00 0.00 179.25 180.67 2gk1 h ARG 279 N 0.39 1.19 -0.98 0.00 2.43 -1.33 -0.46 114.38 115.62 2gk1 h ARG 279 Ca -0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2gk1 h ARG 279 Cb 1.53 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2gk1 h ARG 279 CO 0.17 0.79 0.00 1.28 -1.51 0.00 0.00 179.97 180.70 2gk1 n LEU 280 N -4.46 1.55 0.00 3.80 4.77 -1.15 -2.22 117.00 119.29 2gk1 n LEU 280 Ca 0.12 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2gk1 n LEU 280 Cb 0.06 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2gk1 n LEU 280 CO 0.35 0.31 0.10 0.54 -1.33 0.00 0.00 177.39 177.36 2gk1 n ARG 281 N 0.17 0.00 -0.57 3.23 1.74 -0.32 -4.92 116.66 116.00 2gk1 n ARG 281 Ca 0.00 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2gk1 n ARG 281 Cb 0.31 -0.34 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 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 0.00 1.74 3.72 -0.13 0.00 -0.68 -4.88 105.19 104.96 2gk1 n GLY 282 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.52 4.29 0.27 -0.61 1.09 -0.42 -4.79 121.20 117.51 2gk1 s ILE 283 Ca 0.00 1.74 -0.19 0.00 -1.10 0.00 0.00 60.65 61.10 2gk1 s ILE 283 Cb 0.00 -4.12 -0.09 0.00 -1.06 0.00 0.00 42.46 37.20 2gk1 s ILE 283 CO 0.00 0.19 0.76 -0.13 -0.10 0.00 0.00 174.94 175.66 2gk1 s ARG 284 N 0.58 4.22 -0.41 2.79 0.52 0.20 -3.78 118.95 123.07 2gk1 s ARG 284 Ca 0.53 0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 56.52 2gk1 s ARG 284 Cb -0.26 -2.73 0.07 0.00 0.52 0.00 0.00 34.95 32.55 2gk1 s ARG 284 CO 0.30 0.30 0.25 0.08 0.02 0.00 0.00 175.30 176.26 2gk1 s VAL 285 N -1.68 4.28 -0.46 3.52 1.01 -1.26 0.96 120.40 126.77 2gk1 s VAL 285 Ca 0.47 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 2gk1 s VAL 285 Cb -0.15 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2gk1 s VAL 285 CO 0.20 -0.46 0.37 -0.22 0.00 0.00 0.00 175.10 175.00 2gk1 s LEU 286 N 1.45 5.55 0.24 3.92 2.96 0.13 -4.59 118.68 128.34 2gk1 s LEU 286 Ca 0.03 -1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 52.31 2gk1 s LEU 286 Cb -0.22 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.22 2gk1 s LEU 286 CO 0.03 -0.62 1.03 -2.16 -1.32 0.00 0.00 176.35 173.30 2gk1 s PRO 287 N 1.62 4.73 -0.09 0.98 0.04 -1.26 -0.22 135.00 140.80 2gk1 s PRO 287 Ca 0.04 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2gk1 s PRO 287 Cb -0.24 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2gk1 s PRO 287 CO 0.06 0.32 -0.22 -2.00 0.04 0.00 0.00 177.00 175.20 2gk1 s GLU 288 N -1.15 2.92 -0.52 4.56 2.12 0.80 -0.46 118.70 126.97 2gk1 s GLU 288 Ca 0.44 -0.85 0.06 0.00 0.36 0.00 0.00 54.97 54.97 2gk1 s GLU 288 Cb -0.29 -2.31 0.21 0.00 0.26 0.00 0.00 34.13 32.00 2gk1 s GLU 288 CO 0.36 0.27 0.50 1.19 -0.54 0.00 0.00 175.26 177.04 2gk1 n PHE 289 N 3.29 1.03 -1.68 5.30 3.72 -1.00 -3.51 117.46 124.62 2gk1 n PHE 289 Ca -0.18 -3.76 -0.59 0.00 -0.05 0.00 0.00 57.45 52.87 2gk1 n PHE 289 Cb 0.53 -0.26 -0.08 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.87 2.10 -3.98 4.37 -0.08 -1.24 -4.71 116.55 114.88 2gk1 n ASP 290 Ca 0.25 1.02 -0.13 0.00 -1.51 0.00 0.00 54.79 54.43 2gk1 n ASP 290 Cb 0.45 -1.09 -0.13 0.00 2.34 0.00 0.00 41.12 42.69 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 3.89 0.30 -0.78 5.18 -4.23 -0.23 -4.63 115.64 115.15 2gk1 s THR 291 Ca 1.02 -0.63 0.24 0.00 -1.18 0.00 0.00 61.69 61.13 2gk1 s THR 291 Cb -1.15 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 2gk1 s THR 291 CO 0.67 -0.22 1.22 -0.81 -0.54 0.00 0.00 174.62 174.94 2gk1 n PRO 292 N 2.16 0.17 -1.56 3.99 -0.04 -1.26 -1.29 135.00 137.16 2gk1 n PRO 292 Ca -0.19 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 2gk1 n PRO 292 Cb 0.57 -1.58 0.18 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.39 1.65 -1.16 0.55 0.00 -1.26 -1.75 107.32 101.97 2gk1 s GLY 293 Ca 0.07 -0.91 -0.22 0.00 0.00 0.00 0.00 44.72 43.66 2gk1 s GLY 293 CO 0.75 -0.18 0.77 1.42 0.00 0.00 0.00 173.10 175.87 2gk1 n HIS 294 N -4.04 -1.83 -1.62 1.90 8.25 -1.26 -4.82 115.22 111.79 2gk1 n HIS 294 Ca 0.12 0.40 0.01 0.00 -0.26 0.00 0.00 57.72 57.99 2gk1 n HIS 294 Cb 0.59 -3.36 0.01 0.00 1.12 0.00 0.00 29.99 28.36 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 -4.31 0.21 -0.04 1.59 -2.24 -1.26 -3.92 114.28 104.30 2gk1 n THR 295 Ca -0.10 -0.25 0.09 0.00 -2.27 0.00 0.00 64.05 61.53 2gk1 n THR 295 Cb 0.59 0.54 0.48 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.00 0.38 -0.31 3.22 3.38 -1.80 -2.01 115.31 118.17 2gk1 h LEU 296 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2gk1 h LEU 296 Cb 1.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2gk1 h LEU 296 CO 0.00 0.25 -0.85 0.77 0.09 0.00 0.00 178.44 178.70 2gk1 h SER 297 N 0.44 0.03 -0.60 -0.43 4.64 -1.65 -3.27 113.55 112.71 2gk1 h SER 297 Ca 0.23 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2gk1 h SER 297 Cb 0.34 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2gk1 h SER 297 CO -0.06 0.86 0.34 -0.50 -0.87 0.00 0.00 176.83 176.60 2gk1 h TRP 298 N 0.01 0.83 0.00 4.77 4.06 -1.64 -2.93 115.95 121.04 2gk1 h TRP 298 Ca -0.01 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2gk1 h TRP 298 Cb 1.50 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2gk1 h TRP 298 CO 0.00 0.58 0.00 0.41 -3.56 0.00 0.00 178.44 175.87 2gk1 n GLY 299 N -1.26 -0.85 0.13 1.49 0.00 -1.20 -3.49 105.19 100.01 2gk1 n GLY 299 Ca 0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2gk1 n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gk1 h LYS 300 N 0.00 0.37 -0.58 1.61 1.79 -1.70 -3.35 116.57 114.71 2gk1 h LYS 300 Ca 0.00 -0.42 -0.36 0.00 -2.18 0.00 0.00 60.65 57.69 2gk1 h LYS 300 Cb 0.02 0.12 -0.22 0.00 -1.58 0.00 0.00 32.23 30.58 2gk1 h LYS 300 CO 0.00 1.10 -0.03 0.41 -1.08 0.00 0.00 179.45 179.85 2gk1 n GLY 301 N 1.12 5.32 2.99 3.86 0.00 -1.23 -4.85 105.19 112.42 2gk1 n GLY 301 Ca -0.11 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.42 0.46 0.50 1.61 2.00 -1.24 -4.36 119.66 115.21 2gk1 s GLN 302 Ca 0.50 0.30 -0.23 0.00 -2.00 0.00 0.00 55.36 53.93 2gk1 s GLN 302 Cb 0.43 -0.12 -0.07 0.00 0.80 0.00 0.00 33.01 34.05 2gk1 s GLN 302 CO 0.01 -1.01 1.28 1.63 -0.50 0.00 0.00 175.29 176.70 2gk1 n LYS 303 N 5.38 1.73 -0.68 1.67 5.02 -1.26 -3.07 118.16 126.94 2gk1 n LYS 303 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 2gk1 n LYS 303 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 2gk1 n LYS 303 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2gk1 n ASP 304 N -0.43 -3.57 -0.12 4.39 8.00 -1.26 -4.79 116.55 118.78 2gk1 n ASP 304 Ca 0.09 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.48 2gk1 n ASP 304 Cb 0.43 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.12 38.90 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 0.60-10.33 0.64 5.85 -1.89 -3.45 115.31 106.73 2gk1 h LEU 305 Ca 0.00 -0.32 -0.48 0.00 0.84 0.00 0.00 57.88 57.92 2gk1 h LEU 305 Cb 0.60 -0.16 0.04 0.00 0.37 0.00 0.00 40.66 41.50 2gk1 h LEU 305 CO 0.00 0.78 0.07 -0.76 -0.34 0.00 0.00 178.44 178.19 2gk1 s LEU 306 N -9.41 3.57 -0.18 2.25 1.43 -1.26 -2.02 118.68 113.07 2gk1 s LEU 306 Ca -0.13 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2gk1 s LEU 306 Cb 0.09 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 2gk1 s LEU 306 CO 0.78 -0.68 1.08 -0.89 0.23 0.00 0.00 176.35 176.87 2gk1 s THR 307 N -2.74 4.60 0.22 5.49 2.01 -0.04 -4.49 115.64 120.69 2gk1 s THR 307 Ca 0.48 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 64.10 2gk1 s THR 307 Cb -0.10 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 2gk1 s THR 307 CO 0.43 -0.12 1.25 -2.84 -0.69 0.00 0.00 174.62 172.66 2gk1 s PRO 308 N 2.89 4.44 -0.81 4.92 0.02 -1.26 -0.56 135.00 144.65 2gk1 s PRO 308 Ca 0.48 1.99 -0.19 0.00 0.02 0.00 0.00 61.00 63.29 2gk1 s PRO 308 Cb -0.18 -3.19 0.12 0.00 0.02 0.00 0.00 34.50 31.27 2gk1 s PRO 308 CO 0.11 -0.14 1.00 0.00 -0.33 0.00 0.00 177.00 177.65 2gk1 s TYR 310 N 2.90 2.02 0.21 0.00 4.12 -1.26 -4.13 117.35 121.21 2gk1 s TYR 310 Ca 0.26 0.64 0.00 0.00 0.02 0.00 0.00 57.07 57.99 2gk1 s TYR 310 Cb -0.11 -4.20 0.00 0.00 -1.52 0.00 0.00 41.96 36.13 2gk1 s TYR 310 CO -0.02 -2.54 0.00 0.45 0.02 0.00 0.00 175.55 173.46 2gk1 n SER 311 N 9.93 -1.41 -4.05 2.29 2.88 -1.26 -4.75 113.62 117.25 2gk1 n SER 311 Ca 0.20 0.39 -0.30 0.00 -1.33 0.00 0.00 58.87 57.82 2gk1 n SER 311 Cb 0.48 1.50 -0.16 0.00 -0.75 0.00 0.00 64.21 65.28 2gk1 n SER 311 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2gk1 s ASP 317 N -3.12 2.73 0.50 -3.46 3.84 -1.26 -5.25 116.67 110.65 2gk1 s ASP 317 Ca 0.00 -0.51 0.01 0.00 -0.00 0.00 0.00 52.55 52.06 2gk1 s ASP 317 Cb 0.00 -1.22 -0.01 0.00 -1.38 0.00 0.00 42.92 40.31 2gk1 s ASP 317 CO 0.00 -0.03 0.03 -0.94 -0.00 0.00 0.00 175.17 174.23 2gk1 s SER 318 N 1.34 3.89 0.42 2.11 1.04 -1.26 -5.03 113.70 116.21 2gk1 s SER 318 Ca 0.02 -1.70 0.04 0.00 0.48 0.00 0.00 55.95 54.79 2gk1 s SER 318 Cb -0.13 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2gk1 s SER 318 CO -0.09 -0.93 0.05 -0.36 0.98 0.00 0.00 173.24 172.90 2gk1 s PHE 319 N -2.96 1.99 0.00 5.02 0.08 -1.26 -0.60 117.98 120.25 2gk1 s PHE 319 Ca 0.06 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.12 2gk1 s PHE 319 Cb 0.01 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2gk1 s PHE 319 CO 0.04 0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 2gk1 n GLY 320 N -0.99 5.52 3.66 4.36 0.00 0.28 -4.72 105.19 113.30 2gk1 n GLY 320 Ca -0.09 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2gk1 n GLY 320 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gk1 s PRO 321 N 4.22 0.05 0.28 1.61 0.02 -1.26 -4.40 135.00 135.52 2gk1 s PRO 321 Ca 0.00 0.38 -0.30 0.00 0.02 0.00 0.00 61.00 61.10 2gk1 s PRO 321 Cb 0.00 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.70 2gk1 s PRO 321 CO 0.00 -2.96 1.58 0.42 -0.33 0.00 0.00 177.00 175.72 2gk1 s ILE 322 N -2.98 2.14 -0.16 2.83 1.01 -0.72 -0.86 121.20 122.46 2gk1 s ILE 322 Ca 0.66 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.14 2gk1 s ILE 322 Cb -0.17 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2gk1 s ILE 322 CO 0.57 0.02 1.83 0.21 0.00 0.00 0.00 174.94 177.57 2gk1 s ASN 323 N 0.53 6.20 -0.25 3.58 3.84 -0.85 -4.69 114.94 123.30 2gk1 s ASN 323 Ca 0.64 1.92 0.09 0.00 0.21 0.00 0.00 52.86 55.72 2gk1 s ASN 323 Cb -0.47 -2.53 0.66 0.00 -0.55 0.00 0.00 41.25 38.36 2gk1 s ASN 323 CO 0.46 -1.36 1.61 -0.81 -2.79 0.00 0.00 177.10 174.21 2gk1 n PRO 324 N 7.86 3.70 -0.07 0.43 -0.04 -1.26 -4.42 135.00 141.20 2gk1 n PRO 324 Ca 0.21 -2.62 -0.08 0.00 -0.04 0.00 0.00 63.50 60.98 2gk1 n PRO 324 Cb 0.44 -2.11 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.15 0.86 -1.94 0.52 -2.24 -1.26 -4.88 114.28 105.49 2gk1 n THR 325 Ca 0.30 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 2gk1 n THR 325 Cb 1.17 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 68.57 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 -5.32 3.30 0.25 3.22 1.43 -1.26 -4.97 118.68 115.33 2gk1 s LEU 326 Ca -0.12 1.47 0.14 0.00 -1.03 0.00 0.00 54.13 54.58 2gk1 s LEU 326 Cb 0.04 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.84 2gk1 s LEU 326 CO 0.44 -0.87 1.43 0.78 0.23 0.00 0.00 176.35 178.37 2gk1 h ASN 327 N -0.12 0.00 0.27 2.29 2.35 -1.96 -3.31 115.58 115.10 2gk1 h ASN 327 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.27 2gk1 h ASN 327 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 2gk1 h ASN 327 CO 0.61 0.59 -0.15 0.71 -1.65 0.00 0.00 177.43 177.54 2gk1 h THR 328 N 0.00 0.84 -0.30 2.81 1.35 -1.98 -2.02 112.91 113.62 2gk1 h THR 328 Ca -0.01 -0.58 -0.17 0.00 -0.55 0.00 0.00 66.41 65.11 2gk1 h THR 328 Cb 1.42 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2gk1 h THR 328 CO 0.08 0.15 -0.48 0.00 -0.25 0.00 0.00 175.52 175.02 2gk1 h THR 329 N 0.00 1.28 0.20 6.82 1.03 -1.86 -3.03 112.91 117.34 2gk1 h THR 329 Ca -0.00 -1.67 -0.34 0.00 -0.01 0.00 0.00 66.41 64.39 2gk1 h THR 329 Cb 0.33 1.56 0.02 0.00 -1.07 0.00 0.00 68.15 68.98 2gk1 h THR 329 CO 0.02 0.54 -1.63 1.88 -0.01 0.00 0.00 175.52 176.32 2gk1 h TYR 330 N 0.64 0.76 -0.23 0.00 0.05 -1.65 -1.86 116.97 114.69 2gk1 h TYR 330 Ca 0.03 -0.55 0.00 0.00 0.05 0.00 0.00 58.73 58.26 2gk1 h TYR 330 Cb 1.06 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 2gk1 h TYR 330 CO 0.06 1.63 0.14 0.66 -1.05 0.00 0.00 178.16 179.61 2gk1 h SER 331 N 0.07 0.26 0.22 3.88 4.64 -1.53 0.17 113.55 121.25 2gk1 h SER 331 Ca -0.32 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2gk1 h SER 331 Cb 2.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2gk1 h SER 331 CO 0.19 0.20 -0.10 0.15 -0.87 0.00 0.00 176.83 176.40 2gk1 h PHE 332 N 0.31 -0.27 0.00 4.77 3.57 -1.54 -3.08 116.94 120.70 2gk1 h PHE 332 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2gk1 h PHE 332 Cb -0.02 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2gk1 h PHE 332 CO 0.00 0.06 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.98 2gk1 h LEU 333 N -0.62 0.00 0.73 0.59 3.38 -0.79 -1.43 115.31 117.17 2gk1 h LEU 333 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2gk1 h LEU 333 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2gk1 h LEU 333 CO 0.05 0.09 -0.35 0.74 0.09 0.00 0.00 178.44 179.05 2gk1 h THR 334 N 0.00 0.05 0.00 0.22 2.02 -1.02 -1.01 112.91 113.17 2gk1 h THR 334 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2gk1 h THR 334 Cb 0.17 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2gk1 h THR 334 CO 0.01 0.01 0.00 0.35 0.37 0.00 0.00 175.52 176.26 2gk1 n THR 335 N -5.44 0.51 -0.11 3.16 -2.24 -1.10 -1.81 114.28 107.25 2gk1 n THR 335 Ca -0.13 0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2gk1 n THR 335 Cb 0.39 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.67 2gk1 n THR 335 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2gk1 n PHE 336 N -1.30 0.83 0.14 4.78 7.35 -0.56 -3.96 117.46 124.74 2gk1 n PHE 336 Ca 0.08 0.36 -0.00 0.00 -0.76 0.00 0.00 57.45 57.13 2gk1 n PHE 336 Cb 0.14 -1.08 0.27 0.00 0.35 0.00 0.00 39.48 39.16 2gk1 n PHE 336 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2gk1 h PHE 337 N -1.00 0.13 0.00 -5.13 0.04 -1.09 -2.18 116.94 107.71 2gk1 h PHE 337 Ca -0.42 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 2gk1 h PHE 337 Cb 1.36 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.48 2gk1 h PHE 337 CO 0.06 0.52 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.01 2gk1 h LYS 338 N 0.09 0.00 0.08 1.51 3.11 -1.57 0.22 116.57 120.02 2gk1 h LYS 338 Ca 0.01 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.63 2gk1 h LYS 338 Cb 0.80 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.05 2gk1 h LYS 338 CO 0.06 0.07 -0.90 1.49 -2.81 0.00 0.00 179.45 177.36 2gk1 h GLU 339 N 0.00 0.47 -0.01 1.90 4.81 -1.53 -3.26 114.58 116.97 2gk1 h GLU 339 Ca -0.00 -0.61 -0.07 0.00 -0.13 0.00 0.00 59.36 58.55 2gk1 h GLU 339 Cb 0.33 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2gk1 h GLU 339 CO 0.01 1.25 -0.30 0.82 -0.73 0.00 0.00 179.01 180.05 2gk1 h ILE 340 N -0.01 1.22 -0.48 2.32 1.08 -0.83 -1.00 117.51 119.80 2gk1 h ILE 340 Ca -0.13 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2gk1 h ILE 340 Cb 1.63 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 2gk1 h ILE 340 CO 0.17 0.30 0.26 0.28 -0.69 0.00 0.00 178.15 178.47 2gk1 h SER 341 N 0.02 0.61 0.66 1.72 0.02 -0.71 0.16 113.55 116.03 2gk1 h SER 341 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2gk1 h SER 341 Cb 0.54 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2gk1 h SER 341 CO 0.04 0.53 -0.42 -0.62 -1.14 0.00 0.00 176.83 175.22 2gk1 n GLU 342 N -4.66 0.05 -0.08 3.45 1.02 -1.00 -3.90 120.64 115.52 2gk1 n GLU 342 Ca 0.02 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 2gk1 n GLU 342 Cb 0.09 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 29.86 2gk1 n GLU 342 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2gk1 n VAL 343 N -1.60 1.60 -3.53 2.62 0.31 -0.42 -4.86 118.33 112.45 2gk1 n VAL 343 Ca 0.05 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 2gk1 n VAL 343 Cb 0.35 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 2gk1 n VAL 343 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2gk1 s PHE 344 N -2.46 3.24 0.08 3.52 0.08 0.57 -4.94 117.98 118.08 2gk1 s PHE 344 Ca -0.30 -0.73 0.28 0.00 0.12 0.00 0.00 56.93 56.30 2gk1 s PHE 344 Cb 0.08 -2.52 1.08 0.00 -0.57 0.00 0.00 43.02 41.09 2gk1 s PHE 344 CO 0.62 -0.60 1.88 -1.00 -0.10 0.00 0.00 175.22 176.02 2gk1 h PRO 345 N 8.53 0.00 -6.92 0.24 0.13 -1.84 -3.42 132.00 128.72 2gk1 h PRO 345 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 2gk1 h PRO 345 Cb 1.12 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.33 2gk1 h PRO 345 CO 0.70 0.11 0.67 0.34 -0.23 0.00 0.00 178.00 179.59 2gk1 s ASP 346 N -5.98 6.47 0.37 1.44 2.15 -1.26 -4.92 116.67 114.94 2gk1 s ASP 346 Ca 0.01 2.78 0.09 0.00 0.43 0.00 0.00 52.55 55.86 2gk1 s ASP 346 Cb 0.09 -2.65 0.72 0.00 -0.30 0.00 0.00 42.92 40.78 2gk1 s ASP 346 CO 0.60 -0.75 1.87 1.56 -0.17 0.00 0.00 175.17 178.28 2gk1 h GLN 347 N 3.00 0.23 -5.67 4.34 4.20 -1.91 -3.43 115.11 115.87 2gk1 h GLN 347 Ca -0.50 -0.06 -0.62 0.00 0.06 0.00 0.00 58.65 57.53 2gk1 h GLN 347 Cb 1.24 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.91 2gk1 h GLN 347 CO 0.64 0.42 -0.36 -0.06 -0.67 0.00 0.00 178.83 178.80 2gk1 s PHE 348 N -4.61 3.58 -0.13 2.96 0.40 -1.26 0.25 117.98 119.17 2gk1 s PHE 348 Ca -0.05 0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 56.94 2gk1 s PHE 348 Cb 0.15 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.53 2gk1 s PHE 348 CO 0.74 0.53 -0.10 0.42 0.70 0.00 0.00 175.22 177.51 2gk1 s ILE 349 N -0.49 1.24 -0.01 0.64 1.01 -0.78 -4.53 121.20 118.28 2gk1 s ILE 349 Ca 0.17 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2gk1 s ILE 349 Cb -0.14 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2gk1 s ILE 349 CO 0.06 0.37 1.39 -2.28 0.00 0.00 0.00 174.94 174.47 2gk1 s HIS 350 N 1.61 2.85 -0.04 3.97 2.46 0.39 -3.57 115.29 122.97 2gk1 s HIS 350 Ca 0.04 0.84 0.10 0.00 0.47 0.00 0.00 55.06 56.51 2gk1 s HIS 350 Cb -0.13 -3.65 -0.23 0.00 -0.13 0.00 0.00 32.58 28.44 2gk1 s HIS 350 CO -0.09 -2.37 0.68 -0.07 -2.47 0.00 0.00 174.74 170.42 2gk1 h LEU 351 N 8.44 0.05 0.00 8.88 3.38 -1.72 -2.65 115.31 131.70 2gk1 h LEU 351 Ca -0.37 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2gk1 h LEU 351 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2gk1 h LEU 351 CO 0.90 1.10 0.00 0.61 0.09 0.00 0.00 178.44 181.14 2gk1 n GLY 352 N 1.59 1.17 2.67 0.83 0.00 -1.26 -1.07 105.19 109.12 2gk1 n GLY 352 Ca -0.17 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.66 3.08 -0.02 0.00 -0.41 -2.66 105.19 104.51 2gk1 n GLY 353 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.09 0.93 -1.87 1.61 -4.77 -1.26 -4.12 116.67 104.11 2gk1 s ASP 354 Ca 0.22 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 48.87 2gk1 s ASP 354 Cb -0.03 0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 2gk1 s ASP 354 CO 0.52 -0.22 0.00 -0.62 0.70 0.00 0.00 175.17 175.55 2gk1 n GLU 355 N 1.32 -1.47 -1.70 2.11 1.02 -1.26 -4.72 120.64 115.94 2gk1 n GLU 355 Ca -0.22 1.12 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 2gk1 n GLU 355 Cb 0.55 -5.48 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 2gk1 n GLU 355 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2gk1 n VAL 356 N -2.36 0.12 -3.57 2.62 0.31 -1.26 -4.96 118.33 109.22 2gk1 n VAL 356 Ca -0.18 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.76 2gk1 n VAL 356 Cb 0.64 -1.95 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 2gk1 n VAL 356 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2gk1 s GLU 357 N 1.65 4.09 0.00 5.55 2.02 -1.26 -4.96 118.70 125.79 2gk1 s GLU 357 Ca 0.78 -0.13 0.25 0.00 0.02 0.00 0.00 54.97 55.89 2gk1 s GLU 357 Cb -0.53 -3.55 0.46 0.00 0.10 0.00 0.00 34.13 30.61 2gk1 s GLU 357 CO 0.35 0.01 1.40 1.19 0.02 0.00 0.00 175.26 178.24 2gk1 n PHE 358 N 4.40 0.00 0.26 1.61 3.72 -1.26 -4.29 117.46 121.90 2gk1 n PHE 358 Ca -0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 2gk1 n PHE 358 Cb 0.52 -0.01 0.69 0.00 -0.94 0.00 0.00 39.48 39.74 2gk1 n PHE 358 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2gk1 h LYS 359 N 3.53 0.00 0.08 -1.08 6.56 -1.99 -0.60 116.57 123.06 2gk1 h LYS 359 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 2gk1 h LYS 359 Cb 0.79 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2gk1 h LYS 359 CO 0.00 0.13 -0.58 0.00 -2.06 0.00 0.00 179.45 176.95 2gk1 h TRP 361 N -0.64 0.50 -0.35 0.00 6.55 -1.77 -3.07 115.95 117.17 2gk1 h TRP 361 Ca -0.11 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.74 2gk1 h TRP 361 Cb 1.39 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 29.51 2gk1 h TRP 361 CO 0.22 0.36 0.21 1.49 -1.05 0.00 0.00 178.44 179.67 2gk1 h GLU 362 N 0.52 0.42 -2.15 0.49 4.22 -1.22 -3.06 114.58 113.79 2gk1 h GLU 362 Ca 0.13 -0.02 -0.74 0.00 0.08 0.00 0.00 59.36 58.81 2gk1 h GLU 362 Cb 0.03 -0.09 -0.24 0.00 0.50 0.00 0.00 28.75 28.95 2gk1 h GLU 362 CO -0.02 0.27 1.11 0.43 -2.18 0.00 0.00 179.01 178.63 2gk1 n SER 363 N -4.88 7.39 -3.39 1.04 7.64 -1.16 -4.79 113.62 115.47 2gk1 n SER 363 Ca -0.00 -3.62 -0.16 0.00 1.01 0.00 0.00 58.87 56.09 2gk1 n SER 363 Cb 0.05 -1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 61.99 2gk1 n SER 363 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2gk1 s ASN 364 N -0.80 1.55 0.42 6.43 3.04 -1.16 -4.13 114.94 120.28 2gk1 s ASN 364 Ca 0.49 -0.72 0.20 0.00 0.04 0.00 0.00 52.86 52.87 2gk1 s ASN 364 Cb 0.32 0.57 0.90 0.00 -1.54 0.00 0.00 41.25 41.50 2gk1 s ASN 364 CO -0.26 -0.39 1.85 1.55 -3.04 0.00 0.00 177.10 176.82 2gk1 h PRO 365 N 8.25 0.00 0.00 0.43 0.13 -1.87 0.31 132.00 139.26 2gk1 h PRO 365 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2gk1 h PRO 365 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2gk1 h PRO 365 CO 0.33 0.30 -0.02 0.87 -0.23 0.00 0.00 178.00 179.25 2gk1 h LYS 366 N 0.00 0.00 0.10 0.86 1.79 -1.96 0.31 116.57 117.67 2gk1 h LYS 366 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.11 2gk1 h LYS 366 Cb 0.68 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2gk1 h LYS 366 CO 0.04 0.02 -1.98 -0.89 -1.08 0.00 0.00 179.45 175.56 2gk1 n ILE 367 N -4.01 1.73 0.29 1.86 5.41 -0.57 -3.89 119.36 120.19 2gk1 n ILE 367 Ca -0.03 -0.68 0.14 0.00 1.00 0.00 0.00 62.75 63.18 2gk1 n ILE 367 Cb 0.11 -1.58 0.86 0.00 -0.71 0.00 0.00 39.64 38.32 2gk1 n ILE 367 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2gk1 h GLN 368 N 0.06 0.00 -0.29 0.38 4.20 0.37 -0.24 115.11 119.59 2gk1 h GLN 368 Ca -0.41 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.15 2gk1 h GLN 368 Cb 2.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 2gk1 h GLN 368 CO 0.08 0.02 -0.39 -0.44 -0.67 0.00 0.00 178.83 177.42 2gk1 h ASP 369 N 0.00 0.84 0.07 1.46 3.32 -0.57 -2.99 116.42 118.55 2gk1 h ASP 369 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2gk1 h ASP 369 Cb 0.04 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2gk1 h ASP 369 CO 0.00 1.18 -0.06 0.15 -1.72 0.00 0.00 179.24 178.80 2gk1 h PHE 370 N 0.53 0.00 -0.09 4.55 3.57 -1.19 -0.95 116.94 123.36 2gk1 h PHE 370 Ca 0.03 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2gk1 h PHE 370 Cb 0.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2gk1 h PHE 370 CO 0.07 0.06 -0.18 0.52 -2.23 0.00 0.00 178.31 176.55 2gk1 h MET 371 N 0.00 0.14 0.00 1.11 2.86 -1.16 -2.58 114.93 115.30 2gk1 h MET 371 Ca -0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2gk1 h MET 371 Cb 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2gk1 h MET 371 CO 0.01 0.33 -0.00 0.00 1.06 0.00 0.00 176.91 178.31 2gk1 h ARG 372 N 0.14 -0.00 0.00 1.72 3.08 -1.16 -0.46 114.38 117.70 2gk1 h ARG 372 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2gk1 h ARG 372 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2gk1 h ARG 372 CO 0.03 0.78 0.00 1.04 -1.07 0.00 0.00 179.97 180.75 2gk1 n GLN 373 N -4.65 0.07 0.00 0.04 3.00 -0.86 -1.60 117.38 113.39 2gk1 n GLN 373 Ca -0.08 0.41 0.01 0.00 -0.01 0.00 0.00 57.00 57.33 2gk1 n GLN 373 Cb 0.38 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 28.96 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 -1.80 2.21 -1.79 -1.09 4.76 -0.97 -5.03 118.16 114.44 2gk1 n LYS 374 Ca 0.02 -0.38 -0.15 0.00 -2.87 0.00 0.00 58.31 54.92 2gk1 n LYS 374 Cb 0.13 -0.87 -0.04 0.00 -1.84 0.00 0.00 35.03 32.41 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 0.52 0.78 0.06 0.72 0.00 -0.32 -4.89 105.19 102.06 2gk1 n GLY 375 Ca 0.01 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.18 0.44 0.00 1.61 3.72 -0.38 -4.96 117.46 114.72 2gk1 n PHE 376 Ca -0.16 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2gk1 n PHE 376 Cb 0.55 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.84 1.80 0.33 1.37 0.00 -1.22 -2.95 105.19 105.36 2gk1 n GLY 377 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.72 -3.58 2.61 -2.24 -1.26 -4.88 114.28 105.66 2gk1 n THR 378 Ca 0.00 -0.87 -0.40 0.00 -2.27 0.00 0.00 64.05 60.51 2gk1 n THR 378 Cb 0.00 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 2gk1 n THR 378 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gk1 s ASP 379 N -1.71 5.67 0.00 3.42 -0.00 -1.15 -4.95 116.67 117.95 2gk1 s ASP 379 Ca 0.12 -1.82 0.24 0.00 -0.00 0.00 0.00 52.55 51.09 2gk1 s ASP 379 Cb 0.11 -2.00 1.21 0.00 -0.00 0.00 0.00 42.92 42.24 2gk1 s ASP 379 CO 0.01 -0.65 1.79 0.49 -0.00 0.00 0.00 175.17 176.81 2gk1 n PHE 380 N 4.90 0.00 0.20 4.23 3.72 -1.26 -2.65 117.46 126.60 2gk1 n PHE 380 Ca -0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2gk1 n PHE 380 Cb 0.41 -0.28 0.41 0.00 -0.94 0.00 0.00 39.48 39.09 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 0.00 0.00 -0.20 -1.08 1.57 -1.92 0.11 116.57 115.06 2gk1 h LYS 381 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2gk1 h LYS 381 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2gk1 h LYS 381 CO 0.00 0.33 -0.61 0.87 -0.57 0.00 0.00 179.45 179.47 2gk1 h LYS 382 N 0.00 0.67 -0.18 3.15 1.57 -1.77 0.39 116.57 120.41 2gk1 h LYS 382 Ca -0.00 -0.46 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 2gk1 h LYS 382 Cb 0.63 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2gk1 h LYS 382 CO 0.04 1.08 -0.31 1.25 -0.57 0.00 0.00 179.45 180.94 2gk1 h LEU 383 N 0.50 0.36 -0.58 2.94 5.85 -1.59 0.56 115.31 123.35 2gk1 h LEU 383 Ca -0.01 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 2gk1 h LEU 383 Cb 1.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2gk1 h LEU 383 CO 0.12 0.66 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.55 2gk1 h GLU 384 N 0.31 0.86 -0.37 1.25 4.22 -0.69 -2.58 114.58 117.58 2gk1 h GLU 384 Ca 0.04 -0.37 -0.14 0.00 0.08 0.00 0.00 59.36 58.97 2gk1 h GLU 384 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2gk1 h GLU 384 CO 0.05 1.01 -0.31 0.77 -2.18 0.00 0.00 179.01 178.35 2gk1 h SER 385 N 0.74 0.85 -0.74 1.04 0.02 -0.38 -2.52 113.55 112.57 2gk1 h SER 385 Ca 0.09 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2gk1 h SER 385 Cb 0.80 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 2gk1 h SER 385 CO 0.07 1.10 0.48 0.15 -1.14 0.00 0.00 176.83 177.49 2gk1 h PHE 386 N 0.69 0.93 0.03 3.45 3.57 0.20 -2.47 116.94 123.34 2gk1 h PHE 386 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2gk1 h PHE 386 Cb 0.86 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2gk1 h PHE 386 CO 0.05 0.59 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.78 2gk1 h TYR 387 N 1.00 -0.04 -0.47 0.41 3.20 -1.41 -3.06 116.97 116.60 2gk1 h TYR 387 Ca 0.27 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 2gk1 h TYR 387 Cb -0.11 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2gk1 h TYR 387 CO -0.02 0.46 -0.02 0.97 -1.64 0.00 0.00 178.16 177.91 2gk1 h ILE 388 N -0.55 1.24 0.04 1.81 6.09 -1.46 -2.36 117.51 122.33 2gk1 h ILE 388 Ca -0.00 -1.02 -0.00 0.00 -1.37 0.00 0.00 64.86 62.46 2gk1 h ILE 388 Cb 0.51 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.71 2gk1 h ILE 388 CO 0.01 0.36 -0.02 1.56 -3.07 0.00 0.00 178.15 176.99 2gk1 h GLN 389 N 0.73 -0.05 -0.72 2.19 4.20 -1.55 0.26 115.11 120.17 2gk1 h GLN 389 Ca 0.14 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.98 2gk1 h GLN 389 Cb 0.47 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 2gk1 h GLN 389 CO 0.02 0.04 0.48 0.87 -0.67 0.00 0.00 178.83 179.57 2gk1 h LYS 390 N -0.13 0.42 0.19 1.46 1.79 -1.40 0.17 116.57 119.08 2gk1 h LYS 390 Ca -0.01 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.13 2gk1 h LYS 390 Cb 0.11 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2gk1 h LYS 390 CO 0.01 0.28 -1.41 0.28 -1.08 0.00 0.00 179.45 177.53 2gk1 h VAL 391 N 0.44 1.34 -0.80 0.50 2.07 -1.15 -3.03 116.25 115.62 2gk1 h VAL 391 Ca 0.34 -2.85 0.04 0.00 0.82 0.00 0.00 66.70 65.05 2gk1 h VAL 391 Cb 0.74 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 2gk1 h VAL 391 CO -0.11 0.85 0.52 -0.07 0.02 0.00 0.00 177.57 178.78 2gk1 h LEU 392 N 0.11 0.83 -0.86 2.57 3.38 0.47 -1.53 115.31 120.29 2gk1 h LEU 392 Ca -0.21 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2gk1 h LEU 392 Cb 2.07 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 2gk1 h LEU 392 CO 0.23 0.57 0.55 0.44 0.09 0.00 0.00 178.44 180.32 2gk1 h ASP 393 N 0.96 0.90 -0.46 -0.43 5.19 -0.71 -0.58 116.42 121.29 2gk1 h ASP 393 Ca 0.32 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2gk1 h ASP 393 Cb 0.07 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 2gk1 h ASP 393 CO -0.10 0.61 0.29 0.40 -3.12 0.00 0.00 179.24 177.32 2gk1 h ILE 394 N 1.05 1.14 -0.52 0.35 2.04 -1.17 -0.09 117.51 120.31 2gk1 h ILE 394 Ca 0.35 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2gk1 h ILE 394 Cb 0.05 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2gk1 h ILE 394 CO -0.13 0.14 -0.10 0.40 0.00 0.00 0.00 178.15 178.46 2gk1 h ILE 395 N 0.62 1.27 -0.21 -0.67 1.08 -1.12 -2.83 117.51 115.65 2gk1 h ILE 395 Ca 0.17 -1.23 -0.12 0.00 -0.39 0.00 0.00 64.86 63.28 2gk1 h ILE 395 Cb -0.03 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2gk1 h ILE 395 CO -0.03 0.43 -0.38 0.00 -0.69 0.00 0.00 178.15 177.48 2gk1 h ALA 396 N 1.02 0.94 0.00 1.87 0.00 -0.90 -2.45 119.26 119.74 2gk1 h ALA 396 Ca 0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2gk1 h ALA 396 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gk1 h ALA 396 CO 0.04 0.62 -0.08 1.15 0.00 0.00 0.00 179.25 180.99 2gk1 h THR 397 N 0.40 0.17 -0.56 0.00 2.02 -0.86 -2.95 112.91 111.14 2gk1 h THR 397 Ca 0.04 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2gk1 h THR 397 Cb 0.85 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 2gk1 h THR 397 CO 0.07 0.08 0.04 2.30 0.37 0.00 0.00 175.52 178.38 2gk1 n ILE 398 N -3.17 2.74 -3.59 3.11 -5.35 -1.08 -4.97 119.36 107.05 2gk1 n ILE 398 Ca 0.02 -1.53 -0.23 0.00 -0.27 0.00 0.00 62.75 60.73 2gk1 n ILE 398 Cb 0.42 -0.29 0.05 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.32 -3.95 -4.04 7.28 3.02 -1.11 -5.02 115.26 111.75 2gk1 n ASN 399 Ca 0.29 -0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 53.90 2gk1 n ASN 399 Cb 1.19 -4.09 -0.10 0.00 -0.61 0.00 0.00 39.78 36.16 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 -5.60 0.52 0.55 3.52 -0.14 -0.93 -5.01 119.74 112.66 2gk1 s LYS 400 Ca 0.28 -0.99 -0.02 0.00 -1.36 0.00 0.00 55.97 53.88 2gk1 s LYS 400 Cb -0.08 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.28 2gk1 s LYS 400 CO 0.81 -0.10 0.81 0.20 -0.76 0.00 0.00 175.35 176.31 2gk1 s GLY 401 N -2.41 1.65 -0.07 -3.33 0.00 0.69 -4.21 107.32 99.65 2gk1 s GLY 401 Ca -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 2gk1 s GLY 401 CO -0.07 -0.73 -0.02 -0.56 0.00 0.00 0.00 173.10 171.72 2gk1 s SER 402 N -4.33 1.51 -0.12 1.64 0.01 -1.26 -1.87 113.70 109.29 2gk1 s SER 402 Ca 0.53 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.65 2gk1 s SER 402 Cb -0.10 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 2gk1 s SER 402 CO 0.41 -0.15 -0.06 -0.63 0.41 0.00 0.00 173.24 173.22 2gk1 s ILE 403 N 1.69 3.75 0.04 1.44 1.01 -1.23 -1.14 121.20 126.75 2gk1 s ILE 403 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2gk1 s ILE 403 Cb -0.13 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2gk1 s ILE 403 CO -0.04 0.54 -0.08 0.54 0.00 0.00 0.00 174.94 175.89 2gk1 s VAL 404 N -0.09 0.58 0.98 2.92 0.11 0.20 -2.13 120.40 122.98 2gk1 s VAL 404 Ca 0.01 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 57.85 2gk1 s VAL 404 Cb -0.13 -0.64 0.18 0.00 -1.53 0.00 0.00 36.38 34.26 2gk1 s VAL 404 CO 0.03 -0.36 1.09 0.26 -3.33 0.00 0.00 175.10 172.78 2gk1 s TRP 405 N -1.36 2.09 0.08 1.54 0.52 -1.09 0.14 118.94 120.87 2gk1 s TRP 405 Ca -0.09 1.09 0.30 0.00 0.02 0.00 0.00 56.10 57.41 2gk1 s TRP 405 Cb -0.10 -3.22 1.16 0.00 -1.15 0.00 0.00 33.47 30.16 2gk1 s TRP 405 CO 0.01 -2.84 1.91 -0.56 0.02 0.00 0.00 176.95 175.49 2gk1 h GLN 406 N -1.86 0.00 -0.66 4.98 3.07 -1.43 -3.22 115.11 115.99 2gk1 h GLN 406 Ca -0.54 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.19 2gk1 h GLN 406 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.84 2gk1 h GLN 406 CO 0.56 0.07 0.34 0.93 0.09 0.00 0.00 178.83 180.82 2gk1 h GLU 407 N 0.00 0.92 -0.17 0.06 3.07 -1.88 -2.60 114.58 113.98 2gk1 h GLU 407 Ca -0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2gk1 h GLU 407 Cb 0.62 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2gk1 h GLU 407 CO 0.01 0.69 0.07 0.28 -1.40 0.00 0.00 179.01 178.66 2gk1 h VAL 408 N 0.92 1.15 -0.60 3.13 2.07 -1.71 -0.74 116.25 120.47 2gk1 h VAL 408 Ca 0.23 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2gk1 h VAL 408 Cb 0.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2gk1 h VAL 408 CO -0.03 0.14 0.14 0.15 0.02 0.00 0.00 177.57 177.99 2gk1 h PHE 409 N 0.12 0.97 0.00 1.57 3.57 -1.72 -2.54 116.94 118.90 2gk1 h PHE 409 Ca 0.06 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2gk1 h PHE 409 Cb 0.16 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2gk1 h PHE 409 CO -0.02 0.80 -0.23 -0.44 -2.23 0.00 0.00 178.31 176.20 2gk1 h ASP 410 N 0.89 0.00 0.26 0.41 3.32 -1.31 -1.82 116.42 118.17 2gk1 h ASP 410 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2gk1 h ASP 410 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2gk1 h ASP 410 CO 0.00 0.23 0.00 0.47 -1.72 0.00 0.00 179.24 178.22 2gk1 n ASP 411 N -3.38 0.00 -2.80 6.45 9.92 -0.30 -4.91 116.55 121.54 2gk1 n ASP 411 Ca 0.00 -0.30 -0.18 0.00 -0.53 0.00 0.00 54.79 53.78 2gk1 n ASP 411 Cb 0.44 -0.18 0.06 0.00 -0.64 0.00 0.00 41.12 40.81 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 -1.18 -5.92 -2.49 -1.24 4.76 -0.68 -4.63 118.16 106.77 2gk1 n LYS 412 Ca 0.13 0.62 -0.29 0.00 -2.87 0.00 0.00 58.31 55.90 2gk1 n LYS 412 Cb 0.14 -5.02 -0.01 0.00 -1.84 0.00 0.00 35.03 28.31 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 -3.24 3.31 -0.24 7.82 0.00 -1.22 -5.04 121.76 123.16 2gk1 s ALA 413 Ca 0.43 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2gk1 s ALA 413 Cb -0.19 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2gk1 s ALA 413 CO 0.54 -0.36 0.17 0.21 0.00 0.00 0.00 175.76 176.32 2gk1 s LYS 414 N -4.65 4.08 0.04 0.00 2.47 -1.26 -4.86 119.74 115.55 2gk1 s LYS 414 Ca 0.50 -0.25 0.03 0.00 -1.56 0.00 0.00 55.97 54.69 2gk1 s LYS 414 Cb -0.10 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 2gk1 s LYS 414 CO 0.44 0.06 -0.02 -0.51 0.16 0.00 0.00 175.35 175.48 2gk1 s LEU 415 N 1.05 3.39 0.40 5.43 1.43 -1.26 -4.84 118.68 124.27 2gk1 s LEU 415 Ca 0.08 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 2gk1 s LEU 415 Cb -0.13 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2gk1 s LEU 415 CO 0.04 0.24 1.33 0.00 0.23 0.00 0.00 176.35 178.19 2gk1 s ALA 416 N -1.15 3.31 -0.70 4.21 0.00 -1.26 -4.85 121.76 121.32 2gk1 s ALA 416 Ca 0.21 1.29 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 2gk1 s ALA 416 Cb -0.11 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.37 2gk1 s ALA 416 CO 0.12 -0.86 2.51 -0.35 0.00 0.00 0.00 175.76 177.19 2gk1 n PRO 417 N 0.19 0.61 0.00 0.00 -0.04 -1.26 -0.69 135.00 133.81 2gk1 n PRO 417 Ca 0.03 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2gk1 n PRO 417 Cb 0.43 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 6.21 1.68 3.66 0.55 0.00 -1.26 -5.11 105.19 110.92 2gk1 n GLY 418 Ca 0.49 0.00 -0.43 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 -2.00 4.60 0.15 2.61 2.01 0.13 -4.68 115.64 118.46 2gk1 s THR 419 Ca 0.00 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 2gk1 s THR 419 Cb 0.00 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 2gk1 s THR 419 CO 0.00 -0.21 0.94 -0.63 -0.69 0.00 0.00 174.62 174.03 2gk1 s ILE 420 N 3.31 4.36 -0.14 1.82 -1.09 -0.29 -3.99 121.20 125.17 2gk1 s ILE 420 Ca 0.46 2.04 0.00 0.00 -2.23 0.00 0.00 60.65 60.92 2gk1 s ILE 420 Cb -0.16 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 2gk1 s ILE 420 CO 0.08 0.39 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.34 2gk1 s VAL 421 N -0.45 2.72 -0.25 2.92 1.01 -0.52 -0.62 120.40 125.21 2gk1 s VAL 421 Ca 0.44 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2gk1 s VAL 421 Cb -0.24 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2gk1 s VAL 421 CO 0.30 0.52 0.11 -0.70 0.00 0.00 0.00 175.10 175.33 2gk1 s GLU 422 N 0.65 3.79 -0.19 2.72 2.12 0.38 0.17 118.70 128.34 2gk1 s GLU 422 Ca -0.08 -0.41 -0.11 0.00 0.36 0.00 0.00 54.97 54.73 2gk1 s GLU 422 Cb -0.16 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2gk1 s GLU 422 CO 0.02 -0.14 0.16 0.08 -0.54 0.00 0.00 175.26 174.85 2gk1 s VAL 423 N 1.55 5.39 0.00 3.70 1.01 -0.37 -1.11 120.40 130.56 2gk1 s VAL 423 Ca 0.06 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2gk1 s VAL 423 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2gk1 s VAL 423 CO 0.06 0.43 0.00 -2.67 0.00 0.00 0.00 175.10 172.92 2gk1 n TRP 424 N 3.57 0.00 -3.14 5.22 4.27 -1.26 -0.58 117.44 125.51 2gk1 n TRP 424 Ca -0.15 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.13 2gk1 n TRP 424 Cb 0.52 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.41 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 -0.13 4.03 0.05 -2.67 1.02 -1.26 -4.24 119.74 116.54 2gk1 s LYS 425 Ca 0.00 0.69 -0.10 0.00 0.02 0.00 0.00 55.97 56.58 2gk1 s LYS 425 Cb 0.00 -2.50 -0.32 0.00 -0.52 0.00 0.00 37.83 34.49 2gk1 s LYS 425 CO 0.00 0.19 1.04 -0.44 -0.92 0.00 0.00 175.35 175.23 2gk1 h ASP 426 N 2.42 0.63 -1.92 2.83 3.32 -2.00 -3.39 116.42 118.32 2gk1 h ASP 426 Ca -0.48 -0.69 -0.50 0.00 0.02 0.00 0.00 57.03 55.38 2gk1 h ASP 426 Cb 1.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2gk1 h ASP 426 CO 0.65 1.55 1.45 -0.94 -1.72 0.00 0.00 179.24 180.23 2gk1 s SER 427 N -7.36 5.04 -1.12 6.45 1.04 -1.26 -3.79 113.70 112.71 2gk1 s SER 427 Ca -0.07 0.71 -0.18 0.00 0.48 0.00 0.00 55.95 56.89 2gk1 s SER 427 Cb 0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2gk1 s SER 427 CO 0.91 -2.48 0.82 0.00 0.98 0.00 0.00 173.24 173.47 2gk1 n ALA 428 N 13.59 -2.54 0.16 5.32 0.00 -1.26 -4.93 120.51 130.84 2gk1 n ALA 428 Ca 0.26 -0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.57 2gk1 n ALA 428 Cb 0.52 -4.48 0.18 0.00 0.00 0.00 0.00 19.45 15.67 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 -1.74 0.00 -0.56 0.00 -0.00 -1.76 -2.97 116.97 109.93 2gk1 h TYR 429 Ca -0.66 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.16 2gk1 h TYR 429 Cb 1.35 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.05 2gk1 h TYR 429 CO 0.33 0.47 0.38 -1.35 -0.00 0.00 0.00 178.16 177.99 2gk1 h PRO 430 N 0.00 0.41 -0.35 0.10 0.11 -1.91 -0.43 132.00 129.93 2gk1 h PRO 430 Ca -0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 2gk1 h PRO 430 Cb 1.16 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2gk1 h PRO 430 CO 0.06 0.27 -0.42 1.49 -0.21 0.00 0.00 178.00 179.19 2gk1 h GLU 431 N 0.42 0.90 -0.35 1.05 4.22 -1.91 -2.52 114.58 116.40 2gk1 h GLU 431 Ca 0.25 -0.50 -0.03 0.00 0.08 0.00 0.00 59.36 59.16 2gk1 h GLU 431 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2gk1 h GLU 431 CO -0.07 1.15 0.10 0.93 -2.18 0.00 0.00 179.01 178.94 2gk1 h GLU 432 N 0.70 0.55 -0.49 1.92 4.39 -1.30 0.42 114.58 120.76 2gk1 h GLU 432 Ca 0.05 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.67 2gk1 h GLU 432 Cb 1.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2gk1 h GLU 432 CO 0.10 0.58 0.33 -0.07 -1.16 0.00 0.00 179.01 178.79 2gk1 h LEU 433 N 0.41 0.42 -0.37 1.33 3.38 -1.12 -0.63 115.31 118.73 2gk1 h LEU 433 Ca 0.11 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2gk1 h LEU 433 Cb 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2gk1 h LEU 433 CO -0.00 0.28 -0.79 0.28 0.09 0.00 0.00 178.44 178.30 2gk1 h SER 434 N 0.48 0.39 -0.02 -0.43 0.02 -0.97 -3.11 113.55 109.92 2gk1 h SER 434 Ca 0.21 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2gk1 h SER 434 Cb 0.21 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2gk1 h SER 434 CO -0.05 1.03 -0.02 0.03 -1.14 0.00 0.00 176.83 176.68 2gk1 h ARG 435 N 0.20 0.04 -0.10 3.45 3.08 0.31 -2.15 114.38 119.21 2gk1 h ARG 435 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2gk1 h ARG 435 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 2gk1 h ARG 435 CO 0.13 0.56 0.06 0.28 -1.07 0.00 0.00 179.97 179.93 2gk1 h VAL 436 N -0.47 1.04 0.00 2.04 2.07 -1.30 -2.56 116.25 117.07 2gk1 h VAL 436 Ca 0.00 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2gk1 h VAL 436 Cb 0.55 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2gk1 h VAL 436 CO 0.01 0.03 -0.22 0.71 0.02 0.00 0.00 177.57 178.12 2gk1 h THR 437 N 0.12 0.96 0.00 2.57 1.35 -1.63 -1.22 112.91 115.05 2gk1 h THR 437 Ca 0.04 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2gk1 h THR 437 Cb -0.00 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2gk1 h THR 437 CO -0.01 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 175.48 2gk1 n ALA 438 N -2.41 1.79 0.94 6.62 0.00 -0.81 -2.63 120.51 124.01 2gk1 n ALA 438 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2gk1 n ALA 438 Cb 0.30 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 2gk1 n ALA 438 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gk1 n SER 439 N -2.24 1.42 0.00 0.00 7.64 -0.49 -5.00 113.62 114.95 2gk1 n SER 439 Ca 0.03 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2gk1 n SER 439 Cb 0.27 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 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 1.42 0.78 3.79 0.23 0.00 -1.05 -5.08 105.19 105.27 2gk1 n GLY 440 Ca 0.06 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 3.28 0.53 1.61 0.08 -1.17 -4.80 117.98 115.51 2gk1 s PHE 441 Ca 0.00 0.19 -0.21 0.00 0.12 0.00 0.00 56.93 57.03 2gk1 s PHE 441 Cb 0.00 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2gk1 s PHE 441 CO 0.00 0.55 1.22 -2.14 -0.10 0.00 0.00 175.22 174.74 2gk1 s PRO 442 N -1.86 3.34 0.03 0.24 0.02 -1.26 -4.27 135.00 131.25 2gk1 s PRO 442 Ca 0.24 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.17 2gk1 s PRO 442 Cb -0.12 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 2gk1 s PRO 442 CO 0.16 -0.92 -0.11 0.54 -0.33 0.00 0.00 177.00 176.33 2gk1 s VAL 443 N -1.53 0.88 0.11 3.83 0.11 -0.52 -1.43 120.40 121.85 2gk1 s VAL 443 Ca 0.71 -0.90 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2gk1 s VAL 443 Cb -0.31 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2gk1 s VAL 443 CO 0.36 -0.06 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.26 2gk1 s ILE 444 N -0.86 2.85 -0.08 7.04 1.01 0.45 -2.74 121.20 128.87 2gk1 s ILE 444 Ca -0.01 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.16 2gk1 s ILE 444 Cb -0.07 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2gk1 s ILE 444 CO 0.01 0.11 -0.12 -0.22 0.00 0.00 0.00 174.94 174.72 2gk1 s LEU 445 N -2.12 2.86 0.00 2.97 2.96 -1.07 -1.24 118.68 123.04 2gk1 s LEU 445 Ca 0.18 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2gk1 s LEU 445 Cb -0.11 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2gk1 s LEU 445 CO 0.10 0.29 0.00 -1.54 -1.32 0.00 0.00 176.35 173.88 2gk1 n SER 446 N 2.71 0.00 -0.29 3.68 3.41 0.25 -1.99 113.62 121.38 2gk1 n SER 446 Ca -0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.51 2gk1 n SER 446 Cb 0.52 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.85 0.00 7.33 0.00 -1.42 -1.73 119.26 124.30 2gk1 h ALA 447 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2gk1 h ALA 447 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2gk1 h ALA 447 CO 0.00 -0.45 -0.64 -1.00 0.00 0.00 0.00 179.25 177.15 2gk1 h PRO 448 N 0.06 0.00 -2.03 0.00 0.13 -1.89 -3.40 132.00 124.88 2gk1 h PRO 448 Ca 0.46 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.82 2gk1 h PRO 448 Cb 0.84 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.71 2gk1 h PRO 448 CO -0.77 0.00 1.07 0.91 -0.23 0.00 0.00 178.00 178.97 2gk1 n TRP 449 N -2.77 2.96 -2.82 1.56 8.01 -0.65 -4.89 117.44 118.84 2gk1 n TRP 449 Ca 0.02 -2.34 -0.43 0.00 -1.31 0.00 0.00 57.50 53.43 2gk1 n TRP 449 Cb 0.54 -1.19 -0.03 0.00 -2.01 0.00 0.00 31.31 28.62 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 -4.10 2.90 0.21 -5.99 1.51 -1.25 -1.87 117.35 108.76 2gk1 s TYR 450 Ca 0.51 -1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.41 2gk1 s TYR 450 Cb 0.41 -4.39 0.19 0.00 -0.11 0.00 0.00 41.96 38.07 2gk1 s TYR 450 CO -0.39 -1.63 1.60 -0.07 -1.11 0.00 0.00 175.55 173.95 2gk1 h LEU 451 N 11.15 0.70 -2.08 -1.29 3.38 -1.25 -2.79 115.31 123.13 2gk1 h LEU 451 Ca 0.10 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2gk1 h LEU 451 Cb 1.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2gk1 h LEU 451 CO 1.20 0.97 0.16 -2.24 0.09 0.00 0.00 178.44 178.62 2gk1 h ASP 452 N 0.57 0.00 -1.71 -0.43 2.03 -1.87 -3.37 116.42 111.65 2gk1 h ASP 452 Ca 0.06 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.91 2gk1 h ASP 452 Cb 0.83 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.31 2gk1 h ASP 452 CO 0.07 0.00 1.30 -0.76 -1.03 0.00 0.00 179.24 178.82 2gk1 s LEU 453 N -8.56 3.29 0.12 0.15 1.43 -1.06 -4.96 118.68 109.09 2gk1 s LEU 453 Ca -0.05 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 2gk1 s LEU 453 Cb 0.17 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 2gk1 s LEU 453 CO 0.65 -2.58 0.43 0.27 0.23 0.00 0.00 176.35 175.36 2gk1 s ILE 454 N 10.05 5.06 -0.03 -0.59 -4.36 -1.26 -5.00 121.20 125.07 2gk1 s ILE 454 Ca 0.75 0.39 -0.11 0.00 -0.26 0.00 0.00 60.65 61.42 2gk1 s ILE 454 Cb -0.13 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.96 2gk1 s ILE 454 CO 0.19 0.17 0.25 -0.94 0.24 0.00 0.00 174.94 174.85 2gk1 s SER 455 N -2.01 -0.16 0.19 4.36 1.04 -1.26 -5.14 113.70 110.72 2gk1 s SER 455 Ca 0.38 0.14 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 2gk1 s SER 455 Cb -0.13 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.24 2gk1 s SER 455 CO 0.20 -0.32 1.52 -0.47 0.98 0.00 0.00 173.24 175.15 2gk1 s TYR 456 N -0.91 3.05 0.00 5.02 5.04 -1.26 -4.73 117.35 123.55 2gk1 s TYR 456 Ca -0.10 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2gk1 s TYR 456 Cb -0.05 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.38 2gk1 s TYR 456 CO 0.02 -3.14 0.00 0.41 -1.34 0.00 0.00 175.55 171.50 2gk1 n GLY 457 N 3.22 1.61 3.56 8.97 0.00 -1.26 -4.83 105.19 116.46 2gk1 n GLY 457 Ca 0.11 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 2gk1 n GLY 457 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gk1 s GLN 458 N -2.31 1.86 0.00 1.61 -0.21 -1.26 -4.71 119.66 114.64 2gk1 s GLN 458 Ca 0.00 0.07 0.27 0.00 0.02 0.00 0.00 55.36 55.72 2gk1 s GLN 458 Cb 0.00 -4.91 0.84 0.00 1.00 0.00 0.00 33.01 29.94 2gk1 s GLN 458 CO 0.00 -4.26 1.62 -0.40 -2.12 0.00 0.00 175.29 170.12 2gk1 n ASP 459 N 17.28 1.19 0.30 5.90 5.75 -1.26 -3.61 116.55 142.10 2gk1 n ASP 459 Ca 0.44 -1.09 0.16 0.00 -0.01 0.00 0.00 54.79 54.30 2gk1 n ASP 459 Cb 0.45 0.09 0.92 0.00 -1.03 0.00 0.00 41.12 41.55 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 1.59 0.00 0.00 2.11 5.08 -1.90 -1.18 115.95 121.65 2gk1 h TRP 460 Ca 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 2gk1 h TRP 460 Cb 0.51 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.66 2gk1 h TRP 460 CO 0.00 0.04 -0.31 0.00 -1.28 0.00 0.00 178.44 176.88 2gk1 h ARG 461 N 0.00 0.00 -0.10 0.12 3.08 -1.97 -0.26 114.38 115.25 2gk1 h ARG 461 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2gk1 h ARG 461 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2gk1 h ARG 461 CO 0.00 0.31 -0.16 -0.22 -1.07 0.00 0.00 179.97 178.84 2gk1 h LYS 462 N 0.00 0.29 -0.44 0.04 3.64 -1.44 -2.96 116.57 115.70 2gk1 h LYS 462 Ca -0.00 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.06 2gk1 h LYS 462 Cb 0.90 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2gk1 h LYS 462 CO 0.04 0.75 -0.28 1.88 -2.27 0.00 0.00 179.45 179.56 2gk1 h TYR 463 N -0.14 1.13 -0.20 1.91 0.05 -1.45 -3.24 116.97 115.03 2gk1 h TYR 463 Ca 0.01 -0.30 -0.10 0.00 0.05 0.00 0.00 58.73 58.39 2gk1 h TYR 463 Cb 0.72 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 2gk1 h TYR 463 CO 0.10 1.13 -0.31 -0.92 -1.05 0.00 0.00 178.16 177.11 2gk1 h TYR 464 N 0.81 0.44 0.00 4.88 3.20 -1.15 -3.10 116.97 122.06 2gk1 h TYR 464 Ca 0.09 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2gk1 h TYR 464 Cb 0.87 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2gk1 h TYR 464 CO 0.06 0.66 0.00 0.87 -1.64 0.00 0.00 178.16 178.11 2gk1 h LYS 465 N 0.34 0.00 -6.68 1.82 1.57 -1.54 -3.46 116.57 108.62 2gk1 h LYS 465 Ca 0.04 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 2gk1 h LYS 465 Cb 0.72 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.08 2gk1 h LYS 465 CO 0.05 0.00 0.84 0.08 -0.57 0.00 0.00 179.45 179.85 2gk1 s VAL 466 N -3.24 2.56 -0.37 0.50 1.01 -1.17 -4.99 120.40 114.69 2gk1 s VAL 466 Ca 0.07 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 2gk1 s VAL 466 Cb 0.10 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.26 2gk1 s VAL 466 CO 0.53 0.05 0.16 -0.70 0.00 0.00 0.00 175.10 175.14 2gk1 s GLU 467 N 0.42 2.54 0.38 2.72 2.56 -1.26 -5.00 118.70 121.04 2gk1 s GLU 467 Ca 0.65 -1.35 0.07 0.00 0.00 0.00 0.00 54.97 54.35 2gk1 s GLU 467 Cb -0.44 -3.57 0.80 0.00 2.00 0.00 0.00 34.13 32.92 2gk1 s GLU 467 CO 0.37 -0.81 1.96 -1.00 -0.56 0.00 0.00 175.26 175.23 2gk1 h PRO 468 N 8.25 0.66 -1.62 4.30 0.13 -1.94 -2.95 132.00 138.84 2gk1 h PRO 468 Ca -0.22 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.30 2gk1 h PRO 468 Cb 1.08 -0.15 -0.22 0.00 0.13 0.00 0.00 31.00 31.84 2gk1 h PRO 468 CO 0.66 0.44 0.69 1.28 -0.23 0.00 0.00 178.00 180.84 2gk1 n LEU 469 N -4.48 7.07 -3.21 1.56 4.77 -1.26 -4.69 117.00 116.76 2gk1 n LEU 469 Ca 0.10 -4.14 -0.34 0.00 -0.03 0.00 0.00 56.01 51.60 2gk1 n LEU 469 Cb 0.25 -1.09 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2gk1 n LEU 469 CO 0.34 1.55 0.82 0.47 -1.33 0.00 0.00 177.39 179.24 2gk1 n ASP 470 N -0.07 6.00 -3.93 -1.43 8.00 -1.12 -5.01 116.55 118.99 2gk1 n ASP 470 Ca 0.50 -3.70 -0.09 0.00 0.71 0.00 0.00 54.79 52.21 2gk1 n ASP 470 Cb 0.51 -0.86 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 2gk1 n ASP 470 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2gk1 s PHE 471 N -3.91 0.25 0.04 1.24 -0.71 -1.26 -4.88 117.98 108.75 2gk1 s PHE 471 Ca 0.45 -0.68 -0.31 0.00 -1.04 0.00 0.00 56.93 55.36 2gk1 s PHE 471 Cb 0.26 -0.16 -0.07 0.00 -1.21 0.00 0.00 43.02 41.85 2gk1 s PHE 471 CO -0.16 -0.46 1.47 0.20 -1.34 0.00 0.00 175.22 174.93 2gk1 s GLY 472 N -2.69 1.79 0.00 1.99 0.00 -1.26 -4.95 107.32 102.19 2gk1 s GLY 472 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2gk1 s GLY 472 CO -0.09 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.21 2gk1 n GLY 473 N 3.71 2.95 3.79 0.20 0.00 -1.26 -4.57 105.19 110.03 2gk1 n GLY 473 Ca 0.14 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 2.22 0.55 2.61 -4.23 -1.26 -4.90 115.64 108.63 2gk1 s THR 474 Ca 0.00 0.07 0.37 0.00 -1.18 0.00 0.00 61.69 60.95 2gk1 s THR 474 Cb 0.00 -2.83 0.39 0.00 1.34 0.00 0.00 72.50 71.40 2gk1 s THR 474 CO 0.00 -0.09 2.25 1.56 -0.54 0.00 0.00 174.62 177.80 2gk1 h GLN 475 N -1.40 0.00 -0.14 3.99 4.20 -2.01 -0.54 115.11 119.21 2gk1 h GLN 475 Ca -0.50 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.07 2gk1 h GLN 475 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2gk1 h GLN 475 CO 0.62 0.02 -0.51 -0.22 -0.67 0.00 0.00 178.83 178.07 2gk1 h LYS 476 N 0.00 0.39 -0.00 1.46 3.11 -2.02 -3.20 116.57 116.31 2gk1 h LYS 476 Ca -0.00 -0.23 -0.16 0.00 -2.81 0.00 0.00 60.65 57.45 2gk1 h LYS 476 Cb 0.11 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 2gk1 h LYS 476 CO 0.00 0.81 -0.75 1.96 -2.81 0.00 0.00 179.45 178.67 2gk1 h GLN 477 N 0.31 0.05 0.00 1.90 4.20 -1.43 -3.26 115.11 116.87 2gk1 h GLN 477 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2gk1 h GLN 477 Cb 1.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2gk1 h GLN 477 CO 0.09 0.77 0.00 0.87 -0.67 0.00 0.00 178.83 179.89 2gk1 h LYS 478 N 0.03 0.00 0.00 1.46 1.79 -1.50 -2.58 116.57 115.77 2gk1 h LYS 478 Ca -0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2gk1 h LYS 478 Cb 1.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 2gk1 h LYS 478 CO 0.10 0.00 -0.20 1.96 -1.08 0.00 0.00 179.45 180.23 2gk1 h GLN 479 N 0.00 0.00 -0.00 3.15 7.50 -1.59 -3.04 115.11 121.13 2gk1 h GLN 479 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gk1 h GLN 479 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 2gk1 h GLN 479 CO 0.00 0.20 -0.19 1.28 -1.50 0.00 0.00 178.83 178.62 2gk1 n LEU 480 N -3.40 0.26 -4.61 1.46 4.77 -0.97 -4.65 117.00 109.86 2gk1 n LEU 480 Ca -0.00 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 2gk1 n LEU 480 Cb 0.40 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2gk1 n LEU 480 CO 0.32 0.06 0.89 0.12 -1.33 0.00 0.00 177.39 177.45 2gk1 s PHE 481 N -2.89 3.04 -0.11 -1.77 2.19 -1.15 -1.43 117.98 115.86 2gk1 s PHE 481 Ca 0.16 0.88 0.20 0.00 0.33 0.00 0.00 56.93 58.51 2gk1 s PHE 481 Cb 0.19 -3.85 -0.25 0.00 -1.31 0.00 0.00 43.02 37.79 2gk1 s PHE 481 CO 0.57 -0.92 0.48 0.44 1.83 0.00 0.00 175.22 177.62 2gk1 n ILE 482 N 6.16 0.61 0.00 3.12 -5.35 -1.11 -4.98 119.36 117.80 2gk1 n ILE 482 Ca 0.10 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2gk1 n ILE 482 Cb 0.48 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 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 1.40 -0.31 3.74 3.28 0.00 -1.26 -2.71 105.19 109.33 2gk1 n GLY 483 Ca -0.12 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2gk1 n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gk1 s GLY 484 N 0.00 0.29 0.01 -0.02 0.00 0.06 -2.58 107.32 105.07 2gk1 s GLY 484 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 2gk1 s GLY 484 CO 0.00 -0.35 -0.01 -0.54 0.00 0.00 0.00 173.10 172.20 2gk1 s GLU 485 N -3.61 0.18 -0.33 2.90 2.02 -0.84 -1.79 118.70 117.22 2gk1 s GLU 485 Ca 0.17 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 2gk1 s GLU 485 Cb -0.04 0.07 0.05 0.00 0.10 0.00 0.00 34.13 34.31 2gk1 s GLU 485 CO 0.09 -0.03 0.08 0.00 0.02 0.00 0.00 175.26 175.42 2gk1 s ALA 486 N -0.79 2.97 0.03 5.21 0.00 -1.06 -4.49 121.76 123.63 2gk1 s ALA 486 Ca -0.09 -1.86 -0.13 0.00 0.00 0.00 0.00 51.96 49.88 2gk1 s ALA 486 Cb -0.05 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 2gk1 s ALA 486 CO -0.00 -1.38 0.41 0.00 0.00 0.00 0.00 175.76 174.79 2gk1 s LEU 488 N -1.35 3.06 0.23 0.00 2.96 -0.06 -0.70 118.68 122.82 2gk1 s LEU 488 Ca 0.27 -2.83 -0.30 0.00 -0.22 0.00 0.00 54.13 51.05 2gk1 s LEU 488 Cb -0.16 -1.15 -0.09 0.00 0.50 0.00 0.00 46.19 45.30 2gk1 s LEU 488 CO 0.15 -0.24 1.16 0.26 -1.32 0.00 0.00 176.35 176.36 2gk1 s TRP 489 N 0.06 3.48 -0.42 5.38 0.52 -1.26 -3.45 118.94 123.25 2gk1 s TRP 489 Ca 0.19 1.55 0.01 0.00 0.02 0.00 0.00 56.10 57.87 2gk1 s TRP 489 Cb -0.21 -3.37 0.41 0.00 -1.15 0.00 0.00 33.47 29.15 2gk1 s TRP 489 CO -0.03 -0.93 1.87 0.41 0.02 0.00 0.00 176.95 178.29 2gk1 n GLY 490 N 1.72 4.47 0.32 0.98 0.00 -1.26 -4.38 105.19 107.04 2gk1 n GLY 490 Ca 0.02 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 1.27 1.12 0.00 1.61 3.07 -1.92 -3.27 114.58 116.46 2gk1 h GLU 491 Ca 0.46 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 2gk1 h GLU 491 Cb 1.58 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 29.29 2gk1 h GLU 491 CO 1.02 0.99 -0.40 0.66 -1.40 0.00 0.00 179.01 179.88 2gk1 n TYR 492 N -4.24 0.00 -3.90 4.33 4.01 -1.26 -4.98 117.16 111.12 2gk1 n TYR 492 Ca 0.05 -0.78 -0.29 0.00 -0.16 0.00 0.00 57.90 56.71 2gk1 n TYR 492 Cb 0.26 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.79 1.28 0.02 -0.72 1.01 -1.23 -4.98 120.40 113.99 2gk1 s VAL 493 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2gk1 s VAL 493 Cb 0.25 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 2gk1 s VAL 493 CO -0.03 -0.08 0.01 -0.90 0.00 0.00 0.00 175.10 174.10 2gk1 n ASP 494 N 4.77 1.03 -0.07 3.32 5.75 -1.26 -4.56 116.55 125.52 2gk1 n ASP 494 Ca -0.12 -1.11 0.26 0.00 -0.01 0.00 0.00 54.79 53.81 2gk1 n ASP 494 Cb 0.45 0.05 0.71 0.00 -1.03 0.00 0.00 41.12 41.30 2gk1 n ASP 494 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gk1 h ALA 495 N 1.03 2.55 0.00 2.12 0.00 -1.97 -2.32 119.26 120.68 2gk1 h ALA 495 Ca -0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2gk1 h ALA 495 Cb 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2gk1 h ALA 495 CO 0.03 -1.02 -0.65 1.79 0.00 0.00 0.00 179.25 179.41 2gk1 h THR 496 N 0.00 1.43 0.00 0.00 1.35 -1.96 -3.37 112.91 110.36 2gk1 h THR 496 Ca 0.34 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2gk1 h THR 496 Cb 1.63 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 2gk1 h THR 496 CO -0.00 0.63 0.00 -0.46 -0.25 0.00 0.00 175.52 175.44 2gk1 n ASN 497 N -3.73 0.52 0.15 5.36 6.94 -0.91 -4.91 115.26 118.68 2gk1 n ASN 497 Ca -0.01 -1.24 -0.06 0.00 -0.02 0.00 0.00 54.58 53.25 2gk1 n ASN 497 Cb 0.65 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.04 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 -0.35 -0.37 -4.53 6.46 -1.63 -2.98 115.31 111.91 2gk1 h LEU 498 Ca 0.00 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 2gk1 h LEU 498 Cb 0.78 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.73 2gk1 h LEU 498 CO 0.00 -0.09 -0.13 0.74 -0.62 0.00 0.00 178.44 178.34 2gk1 h THR 499 N -0.75 0.55 -0.39 1.05 2.02 -1.87 0.61 112.91 114.13 2gk1 h THR 499 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2gk1 h THR 499 Cb 0.32 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2gk1 h THR 499 CO 0.07 0.00 0.19 -0.65 0.37 0.00 0.00 175.52 175.50 2gk1 h PRO 500 N -0.05 0.38 -0.56 6.66 0.11 -1.70 -2.49 132.00 134.35 2gk1 h PRO 500 Ca 0.18 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 2gk1 h PRO 500 Cb 0.33 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2gk1 h PRO 500 CO -0.41 0.25 0.17 -0.09 -0.21 0.00 0.00 178.00 177.72 2gk1 h ARG 501 N 0.40 0.88 0.62 1.05 2.43 -1.17 -3.18 114.38 115.41 2gk1 h ARG 501 Ca 0.16 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2gk1 h ARG 501 Cb 0.07 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2gk1 h ARG 501 CO -0.11 0.80 -0.30 1.25 -1.51 0.00 0.00 179.97 180.10 2gk1 h LEU 502 N 0.79 -0.71 -9.74 3.80 6.46 -0.86 -3.42 115.31 111.64 2gk1 h LEU 502 Ca 0.18 -0.02 -0.65 0.00 -0.12 0.00 0.00 57.88 57.27 2gk1 h LEU 502 Cb 0.29 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 2gk1 h LEU 502 CO -0.00 -0.37 -0.48 0.26 -0.62 0.00 0.00 178.44 177.23 2gk1 s TRP 503 N -5.08 3.57 -0.42 1.25 0.52 -0.94 -1.47 118.94 116.37 2gk1 s TRP 503 Ca -0.15 0.45 0.05 0.00 0.02 0.00 0.00 56.10 56.47 2gk1 s TRP 503 Cb 0.02 -1.89 0.68 0.00 -1.15 0.00 0.00 33.47 31.13 2gk1 s TRP 503 CO 0.51 0.68 1.88 -0.35 0.02 0.00 0.00 176.95 179.69 2gk1 n PRO 504 N 1.37 2.53 0.13 4.98 -0.04 -1.26 -1.17 135.00 141.55 2gk1 n PRO 504 Ca -0.14 -3.04 -0.02 0.00 -0.04 0.00 0.00 63.50 60.26 2gk1 n PRO 504 Cb 0.54 -2.17 0.17 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.34 0.07 0.00 0.54 3.08 -1.74 -2.91 114.38 114.76 2gk1 h ARG 505 Ca 0.54 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.55 2gk1 h ARG 505 Cb 2.71 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.77 2gk1 h ARG 505 CO 1.00 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 180.54 2gk1 h ALA 506 N 1.35 1.00 -0.19 0.04 0.00 -1.58 -3.11 119.26 116.77 2gk1 h ALA 506 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2gk1 h ALA 506 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2gk1 h ALA 506 CO 0.08 0.00 -0.15 0.77 0.00 0.00 0.00 179.25 179.95 2gk1 h SER 507 N 0.00 0.31 0.54 0.00 0.02 -1.78 -1.79 113.55 110.85 2gk1 h SER 507 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2gk1 h SER 507 Cb 0.79 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2gk1 h SER 507 CO 0.00 0.49 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 2gk1 h ALA 508 N 1.55 1.00 0.08 3.77 0.00 -1.61 -2.08 119.26 121.96 2gk1 h ALA 508 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.61 2gk1 h ALA 508 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2gk1 h ALA 508 CO 0.03 0.00 -2.08 0.28 0.00 0.00 0.00 179.25 177.47 2gk1 n VAL 509 N -2.78 1.68 -0.34 0.00 0.31 -0.88 -3.68 118.33 112.64 2gk1 n VAL 509 Ca -0.00 -0.67 -0.01 0.00 -0.01 0.00 0.00 64.34 63.65 2gk1 n VAL 509 Cb 0.19 -1.51 0.13 0.00 -0.91 0.00 0.00 33.84 31.73 2gk1 n VAL 509 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2gk1 h GLY 510 N 1.76 1.35 1.24 2.92 0.00 -0.90 0.12 103.07 109.57 2gk1 h GLY 510 Ca -0.45 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.28 2gk1 h GLY 510 CO 0.05 0.39 -0.39 -2.09 0.00 0.00 0.00 176.54 174.50 2gk1 h GLU 511 N 1.16 0.83 0.00 4.80 4.81 -1.59 -1.92 114.58 122.67 2gk1 h GLU 511 Ca 0.37 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2gk1 h GLU 511 Cb 0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2gk1 h GLU 511 CO -0.12 1.07 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.92 2gk1 h ARG 512 N 0.68 0.00 0.00 1.92 9.65 -1.39 -0.08 114.38 125.16 2gk1 h ARG 512 Ca 0.06 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2gk1 h ARG 512 Cb 0.96 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2gk1 h ARG 512 CO 0.09 0.22 -1.47 1.28 2.80 0.00 0.00 179.97 182.89 2gk1 n LEU 513 N -3.80 0.47 -0.07 3.80 4.77 0.34 -4.67 117.00 117.84 2gk1 n LEU 513 Ca -0.02 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 2gk1 n LEU 513 Cb 0.32 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2gk1 n LEU 513 CO 0.34 -0.08 -0.65 1.87 -1.33 0.00 0.00 177.39 177.54 2gk1 n TRP 514 N -2.51 0.00 -0.66 -1.77 -0.00 -0.73 -1.48 117.44 110.29 2gk1 n TRP 514 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.18 2gk1 n TRP 514 Cb 0.58 -0.46 0.22 0.00 -0.00 0.00 0.00 31.31 31.65 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 -6.09 1.74 1.10 5.87 0.01 -0.06 -1.02 113.70 115.26 2gk1 s SER 515 Ca -0.24 1.69 -0.13 0.00 1.31 0.00 0.00 55.95 58.58 2gk1 s SER 515 Cb 0.05 -2.35 0.25 0.00 0.21 0.00 0.00 66.02 64.17 2gk1 s SER 515 CO 0.35 -3.75 1.05 -0.44 0.41 0.00 0.00 173.24 170.86 2gk1 s SER 516 N -2.66 1.60 0.22 2.44 0.01 -1.26 -4.64 113.70 109.40 2gk1 s SER 516 Ca 0.67 1.39 -0.06 0.00 1.31 0.00 0.00 55.95 59.27 2gk1 s SER 516 Cb -0.24 -2.13 0.19 0.00 0.21 0.00 0.00 66.02 64.06 2gk1 s SER 516 CO 0.62 -3.80 1.72 0.50 0.41 0.00 0.00 173.24 172.70 2gk1 h LYS 517 N -2.35 1.00 0.00 12.44 3.64 -1.94 -3.22 116.57 126.15 2gk1 h LYS 517 Ca -0.59 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 2gk1 h LYS 517 Cb 1.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2gk1 h LYS 517 CO 0.53 0.94 0.00 -0.40 -2.27 0.00 0.00 179.45 178.25 2gk1 n ASP 518 N -4.22 0.00 -4.57 4.20 5.68 -1.26 -4.55 116.55 111.84 2gk1 n ASP 518 Ca 0.04 0.46 -0.30 0.00 -0.50 0.00 0.00 54.79 54.49 2gk1 n ASP 518 Cb 0.29 -0.49 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 2gk1 n ASP 518 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2gk1 s VAL 519 N -2.97 3.59 -0.02 2.12 1.01 -1.22 -4.60 120.40 118.32 2gk1 s VAL 519 Ca 0.13 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2gk1 s VAL 519 Cb 0.17 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2gk1 s VAL 519 CO 0.46 -1.18 0.97 0.54 0.00 0.00 0.00 175.10 175.89 2gk1 n ARG 520 N 8.67 0.24 -2.97 2.72 1.74 -1.26 -5.00 116.66 120.81 2gk1 n ARG 520 Ca 0.41 -1.18 -0.41 0.00 -0.77 0.00 0.00 57.85 55.90 2gk1 n ARG 520 Cb 0.47 -0.65 -0.05 0.00 -1.02 0.00 0.00 32.46 31.21 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 -1.16 6.76 0.03 0.55 2.15 -1.26 -4.98 116.67 118.76 2gk1 s ASP 521 Ca 0.05 0.94 -0.19 0.00 0.43 0.00 0.00 52.55 53.78 2gk1 s ASP 521 Cb 0.04 -2.40 -0.19 0.00 -0.30 0.00 0.00 42.92 40.07 2gk1 s ASP 521 CO 0.00 -0.45 1.21 0.24 -0.17 0.00 0.00 175.17 176.01 2gk1 h MET 522 N 7.70 0.47 -0.09 4.34 2.86 -1.98 -2.09 114.93 126.14 2gk1 h MET 522 Ca -0.25 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 56.97 2gk1 h MET 522 Cb 1.11 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2gk1 h MET 522 CO 0.84 1.02 -0.11 -0.44 1.06 0.00 0.00 176.91 179.27 2gk1 h ASP 523 N 0.03 0.12 0.06 1.22 3.32 -1.99 0.83 116.42 120.02 2gk1 h ASP 523 Ca -0.03 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 2gk1 h ASP 523 Cb 1.11 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.65 2gk1 h ASP 523 CO 0.09 0.25 -1.14 -0.78 -1.72 0.00 0.00 179.24 175.95 2gk1 h ASP 524 N 0.13 0.90 -0.85 6.45 3.58 -1.99 -2.81 116.42 121.83 2gk1 h ASP 524 Ca 0.03 -0.77 -0.02 0.00 0.42 0.00 0.00 57.03 56.68 2gk1 h ASP 524 Cb 0.28 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2gk1 h ASP 524 CO 0.02 1.57 0.44 0.00 -2.88 0.00 0.00 179.24 178.39 2gk1 h ALA 525 N 0.36 1.16 -0.18 -0.78 0.00 -0.59 -0.40 119.26 118.82 2gk1 h ALA 525 Ca -0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2gk1 h ALA 525 Cb 1.80 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2gk1 h ALA 525 CO 0.22 0.65 -0.01 -0.92 0.00 0.00 0.00 179.25 179.20 2gk1 h TYR 526 N 1.21 0.36 0.01 0.00 3.20 -0.96 -1.99 116.97 118.79 2gk1 h TYR 526 Ca 0.30 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2gk1 h TYR 526 Cb 0.08 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2gk1 h TYR 526 CO 0.01 0.54 -0.18 0.22 -1.64 0.00 0.00 178.16 177.12 2gk1 h ASP 527 N 0.07 -0.51 0.48 -2.11 1.82 -1.19 -1.78 116.42 113.20 2gk1 h ASP 527 Ca 0.05 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 2gk1 h ASP 527 Cb 0.40 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2gk1 h ASP 527 CO 0.01 -0.24 -0.51 0.03 -1.61 0.00 0.00 179.24 176.92 2gk1 h ARG 528 N -0.29 0.04 -0.02 0.28 3.08 -1.13 -3.19 114.38 113.14 2gk1 h ARG 528 Ca 0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2gk1 h ARG 528 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.42 2gk1 h ARG 528 CO -0.16 0.54 -0.33 1.25 -1.07 0.00 0.00 179.97 180.20 2gk1 h LEU 529 N 0.03 0.31 -1.55 3.04 5.85 -1.20 -2.19 115.31 119.61 2gk1 h LEU 529 Ca -0.00 -0.74 0.13 0.00 0.84 0.00 0.00 57.88 58.10 2gk1 h LEU 529 Cb 0.92 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2gk1 h LEU 529 CO 0.07 1.01 0.48 0.71 -0.34 0.00 0.00 178.44 180.37 2gk1 h THR 530 N -0.35 0.85 0.00 1.05 1.35 -1.37 0.41 112.91 114.85 2gk1 h THR 530 Ca -0.04 -0.16 -0.19 0.00 -0.55 0.00 0.00 66.41 65.47 2gk1 h THR 530 Cb 1.05 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 2gk1 h THR 530 CO 0.07 0.09 -1.29 0.08 -0.25 0.00 0.00 175.52 174.21 2gk1 h ARG 531 N 0.47 0.00 -0.15 4.72 0.11 -1.62 -2.97 114.38 114.94 2gk1 h ARG 531 Ca 0.35 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.23 2gk1 h ARG 531 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2gk1 h ARG 531 CO -0.11 0.43 -0.69 1.25 0.10 0.00 0.00 179.97 180.95 2gk1 h HIS 532 N 0.00 0.82 -0.85 4.08 2.76 -0.69 -2.72 115.15 118.55 2gk1 h HIS 532 Ca -0.15 -0.34 -0.03 0.00 -2.20 0.00 0.00 60.37 57.65 2gk1 h HIS 532 Cb 1.66 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 30.45 2gk1 h HIS 532 CO 0.00 1.13 0.41 -0.09 -1.30 0.00 0.00 177.93 178.08 2gk1 h ARG 533 N 0.44 1.22 -0.81 5.26 1.12 -0.30 -1.46 114.38 119.85 2gk1 h ARG 533 Ca -0.03 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2gk1 h ARG 533 Cb 1.28 -0.22 -0.04 0.00 -0.01 0.00 0.00 29.97 30.98 2gk1 h ARG 533 CO 0.13 0.93 0.51 0.00 -3.11 0.00 0.00 179.97 178.44 2gk1 h ARG 535 N 1.11 0.99 -0.74 0.00 2.43 -1.10 -1.99 114.38 115.07 2gk1 h ARG 535 Ca 0.30 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2gk1 h ARG 535 Cb -0.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2gk1 h ARG 535 CO -0.06 1.03 0.47 0.52 -1.51 0.00 0.00 179.97 180.41 2gk1 h MET 536 N 0.86 1.00 -0.95 0.20 2.86 -1.00 0.24 114.93 118.13 2gk1 h MET 536 Ca 0.14 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2gk1 h MET 536 Cb 0.63 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 2gk1 h MET 536 CO 0.04 0.69 0.62 0.28 1.06 0.00 0.00 176.91 179.60 2gk1 h VAL 537 N 1.01 1.19 -0.02 -2.22 2.07 -1.04 -1.50 116.25 115.73 2gk1 h VAL 537 Ca 0.27 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 2gk1 h VAL 537 Cb -0.07 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.54 2gk1 h VAL 537 CO -0.05 0.22 -0.62 -0.33 0.02 0.00 0.00 177.57 176.81 2gk1 h GLU 538 N 1.23 0.09 -0.96 1.57 5.08 -1.03 -3.20 114.58 117.36 2gk1 h GLU 538 Ca 0.37 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 2gk1 h GLU 538 Cb -0.04 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2gk1 h GLU 538 CO -0.11 0.68 0.16 0.54 -1.00 0.00 0.00 179.01 179.28 2gk1 n ARG 539 N -3.82 1.68 0.00 2.33 1.74 0.04 -4.89 116.66 113.74 2gk1 n ARG 539 Ca -0.02 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.03 2gk1 n ARG 539 Cb 0.62 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.02 2.16 3.59 -0.13 0.00 -1.12 -4.99 105.19 104.73 2gk1 n GLY 540 Ca 0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.42 3.28 -1.32 -0.61 -1.09 -0.65 -4.91 121.20 115.49 2gk1 s ILE 541 Ca 0.00 0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.51 2gk1 s ILE 541 Cb 0.00 -3.45 0.05 0.00 -1.58 0.00 0.00 42.46 37.48 2gk1 s ILE 541 CO 0.00 -0.33 1.87 0.00 -1.23 0.00 0.00 174.94 175.25 2gk1 n ALA 542 N 11.68 3.92 -1.84 9.38 0.00 -1.26 -2.76 120.51 139.62 2gk1 n ALA 542 Ca 0.26 -3.80 -0.33 0.00 0.00 0.00 0.00 53.44 49.57 2gk1 n ALA 542 Cb 0.48 -3.59 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 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 4.38 3.08 0.03 0.00 0.00 -1.26 -2.91 121.76 125.08 2gk1 s ALA 543 Ca 0.53 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 2gk1 s ALA 543 Cb 0.06 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2gk1 s ALA 543 CO 0.04 0.15 0.66 1.14 0.00 0.00 0.00 175.76 177.75 2gk1 s GLN 544 N -3.08 4.38 0.62 0.00 -2.07 -0.31 -4.88 119.66 114.33 2gk1 s GLN 544 Ca 0.60 0.86 -0.18 0.00 -1.82 0.00 0.00 55.36 54.83 2gk1 s GLN 544 Cb -0.10 -3.33 -0.02 0.00 -1.09 0.00 0.00 33.01 28.47 2gk1 s GLN 544 CO 0.14 0.38 1.21 -1.25 -1.32 0.00 0.00 175.29 174.46 2gk1 s PRO 545 N -0.30 2.79 0.10 9.60 0.04 -1.26 -4.08 135.00 141.88 2gk1 s PRO 545 Ca 0.33 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 2gk1 s PRO 545 Cb -0.19 -1.91 -0.21 0.00 0.04 0.00 0.00 34.50 32.23 2gk1 s PRO 545 CO 0.20 -1.35 1.21 -0.07 0.04 0.00 0.00 177.00 177.02 2gk1 h LEU 546 N 0.62 0.45 0.00 -3.56 3.38 -1.97 -3.49 115.31 110.75 2gk1 h LEU 546 Ca -0.50 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.04 2gk1 h LEU 546 Cb 1.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2gk1 h LEU 546 CO 0.54 1.30 0.13 0.00 0.09 0.00 0.00 178.44 180.49 2gk1 n TYR 547 N -3.61 -1.30 -1.81 1.13 9.36 -1.26 -4.71 117.16 114.96 2gk1 n TYR 547 Ca -0.08 -0.59 -0.42 0.00 3.32 0.00 0.00 57.90 60.14 2gk1 n TYR 547 Cb 0.95 0.29 -0.03 0.00 -0.63 0.00 0.00 39.34 39.92 2gk1 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2gk1 s ALA 548 N -1.37 3.73 0.00 2.98 0.00 -1.26 -4.89 121.76 120.95 2gk1 s ALA 548 Ca 0.06 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2gk1 s ALA 548 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2gk1 s ALA 548 CO 0.03 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.03 2gk1 n GLY 549 N 4.13 -0.65 3.79 0.00 0.00 -1.26 -5.19 105.19 106.01 2gk1 n GLY 549 Ca 0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.42 0.07 0.35 1.61 1.13 -1.26 -5.18 117.35 110.65 2gk1 s TYR 550 Ca 0.00 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 2gk1 s TYR 550 Cb 0.00 0.68 -0.00 0.00 -1.10 0.00 0.00 41.96 41.54 2gk1 s TYR 550 CO 0.00 -1.37 0.01 0.00 -2.51 0.00 0.00 175.55 171.68