#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gkl h GLY 42 N 0.00 0.86 -5.03 0.00 0.00 -1.97 -3.44 103.07 93.50 2gkl h GLY 42 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2gkl h GLY 42 CO 0.00 0.21 -0.32 -0.29 0.00 0.00 0.00 176.54 176.14 2gkl s MET 43 N -5.62 0.48 0.11 4.80 -2.45 -1.26 -1.06 119.30 114.30 2gkl s MET 43 Ca -0.09 0.21 0.07 0.00 -1.25 0.00 0.00 55.69 54.62 2gkl s MET 43 Cb 0.19 0.22 -0.04 0.00 1.25 0.00 0.00 34.83 36.46 2gkl s MET 43 CO 0.76 -0.09 -0.17 -1.54 1.05 0.00 0.00 175.02 175.03 2gkl s SER 44 N -0.38 2.24 -0.14 1.11 1.04 -0.52 -4.99 113.70 112.07 2gkl s SER 44 Ca -0.05 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2gkl s SER 44 Cb -0.03 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2gkl s SER 44 CO 0.02 -0.04 -0.03 -0.22 0.98 0.00 0.00 173.24 173.95 2gkl s LEU 45 N -2.14 1.23 -0.02 2.42 2.96 -1.26 -1.25 118.68 120.61 2gkl s LEU 45 Ca 0.07 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2gkl s LEU 45 Cb -0.08 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.90 2gkl s LEU 45 CO 0.04 -0.20 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.95 2gkl s THR 46 N 1.77 0.33 0.22 3.68 2.01 -0.38 -4.96 115.64 118.30 2gkl s THR 46 Ca 0.02 -0.06 -0.32 0.00 0.31 0.00 0.00 61.69 61.65 2gkl s THR 46 Cb -0.15 -0.36 -0.11 0.00 0.01 0.00 0.00 72.50 71.89 2gkl s THR 46 CO -0.07 0.15 1.67 -1.58 -0.69 0.00 0.00 174.62 174.10 2gkl s GLN 47 N 0.63 4.14 -0.22 4.92 0.74 -1.26 -0.06 119.66 128.55 2gkl s GLN 47 Ca -0.07 2.56 -0.03 0.00 0.05 0.00 0.00 55.36 57.87 2gkl s GLN 47 Cb -0.10 -3.08 -0.13 0.00 1.10 0.00 0.00 33.01 30.80 2gkl s GLN 47 CO -0.01 -0.70 -0.23 1.55 -0.55 0.00 0.00 175.29 175.35 2gkl n VAL 48 N 3.64 1.24 -3.64 1.34 3.14 0.10 -4.87 118.33 119.29 2gkl n VAL 48 Ca 0.14 -0.42 -0.03 0.00 -2.96 0.00 0.00 64.34 61.07 2gkl n VAL 48 Cb 0.36 -1.45 -0.05 0.00 -1.06 0.00 0.00 33.84 31.64 2gkl n VAL 48 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2gkl s SER 49 N -6.41 -1.05 0.96 6.55 0.15 -0.94 -5.04 113.70 107.92 2gkl s SER 49 Ca -0.30 1.51 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2gkl s SER 49 Cb 0.09 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 2gkl s SER 49 CO 0.46 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2gkl n GLY 50 N 5.04 3.19 0.02 9.45 0.00 -1.26 -0.78 105.19 120.85 2gkl n GLY 50 Ca -0.15 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2gkl n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gkl n PRO 51 N 14.00 1.03 -3.50 1.61 -0.04 -1.26 -4.79 135.00 142.05 2gkl n PRO 51 Ca 0.00 -0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.03 2gkl n PRO 51 Cb 0.00 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 2gkl n PRO 51 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gkl s VAL 52 N -2.00 5.25 0.16 0.52 1.01 0.04 -1.17 120.40 124.21 2gkl s VAL 52 Ca 0.43 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.83 2gkl s VAL 52 Cb 0.20 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2gkl s VAL 52 CO 0.33 0.19 -0.23 -0.31 0.00 0.00 0.00 175.10 175.08 2gkl s TYR 53 N 1.89 2.16 -0.11 5.22 1.51 0.25 -0.72 117.35 127.56 2gkl s TYR 53 Ca 0.10 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2gkl s TYR 53 Cb -0.16 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2gkl s TYR 53 CO 0.11 0.39 -0.05 0.08 -1.11 0.00 0.00 175.55 174.97 2gkl s VAL 54 N -1.51 3.83 -0.27 0.71 1.01 0.91 -1.30 120.40 123.79 2gkl s VAL 54 Ca 0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2gkl s VAL 54 Cb -0.08 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2gkl s VAL 54 CO 0.08 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.17 2gkl s VAL 55 N -0.24 4.82 -0.37 2.92 1.01 0.89 -1.25 120.40 128.18 2gkl s VAL 55 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2gkl s VAL 55 Cb -0.13 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2gkl s VAL 55 CO 0.02 0.26 0.23 -1.61 0.00 0.00 0.00 175.10 174.01 2gkl s GLU 56 N 1.68 3.01 -0.45 2.72 2.02 -0.38 -1.03 118.70 126.27 2gkl s GLU 56 Ca 0.06 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2gkl s GLU 56 Cb -0.16 -3.80 0.09 0.00 0.10 0.00 0.00 34.13 30.37 2gkl s GLU 56 CO 0.07 -0.65 0.33 0.34 0.02 0.00 0.00 175.26 175.37 2gkl s ASP 57 N 1.62 5.80 0.00 -0.19 2.15 0.02 -1.43 116.67 124.64 2gkl s ASP 57 Ca 0.04 -1.60 0.24 0.00 0.43 0.00 0.00 52.55 51.65 2gkl s ASP 57 Cb -0.19 -2.05 0.96 0.00 -0.30 0.00 0.00 42.92 41.34 2gkl s ASP 57 CO 0.08 -0.63 1.67 0.59 -0.17 0.00 0.00 175.17 176.72 2gkl n ASN 58 N 5.00 1.34 -4.77 -0.34 3.02 -0.22 -1.12 115.26 118.17 2gkl n ASN 58 Ca -0.10 -1.56 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 2gkl n ASN 58 Cb 0.42 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2gkl n ASN 58 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2gkl s TYR 59 N -1.89 2.79 0.00 3.10 1.51 -1.25 -4.56 117.35 117.05 2gkl s TYR 59 Ca 0.35 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.87 2gkl s TYR 59 Cb 0.18 -3.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 2gkl s TYR 59 CO 0.29 -1.94 0.00 0.66 -1.11 0.00 0.00 175.55 173.44 2gkl n TYR 60 N -0.20 0.00 -2.74 2.71 4.01 -1.26 -3.79 117.16 115.89 2gkl n TYR 60 Ca 0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.37 2gkl n TYR 60 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 2gkl n TYR 60 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gkl s VAL 67 N 0.00 4.71 -0.05 -0.72 1.01 -1.26 -4.97 120.40 119.12 2gkl s VAL 67 Ca 0.00 1.80 -0.40 0.00 0.00 0.00 0.00 61.98 63.38 2gkl s VAL 67 Cb 0.00 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 2gkl s VAL 67 CO 0.00 -0.20 1.25 1.67 0.00 0.00 0.00 175.10 177.82 2gkl n GLN 68 N 6.30 0.40 -4.55 2.72 7.27 -1.25 -4.96 117.38 123.32 2gkl n GLN 68 Ca 0.10 0.15 -0.24 0.00 0.07 0.00 0.00 57.00 57.07 2gkl n GLN 68 Cb 0.47 -1.70 -0.14 0.00 2.41 0.00 0.00 30.24 31.28 2gkl n GLN 68 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2gkl s GLU 69 N 0.67 1.26 -0.09 3.69 4.04 -0.28 -4.32 118.70 123.68 2gkl s GLU 69 Ca 0.91 -0.91 0.01 0.00 0.04 0.00 0.00 54.97 55.03 2gkl s GLU 69 Cb -1.19 -1.36 -0.02 0.00 0.02 0.00 0.00 34.13 31.58 2gkl s GLU 69 CO 0.57 0.34 -0.12 -0.80 -1.84 0.00 0.00 175.26 173.42 2gkl s ASN 70 N -1.20 4.18 0.23 0.83 0.01 0.03 -0.80 114.94 118.21 2gkl s ASN 70 Ca 0.06 -0.21 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 2gkl s ASN 70 Cb -0.09 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.31 2gkl s ASN 70 CO 0.02 0.27 0.07 -1.20 -1.51 0.00 0.00 177.10 174.75 2gkl n SER 71 N 2.85 1.25 -4.15 -1.22 7.64 -0.20 -4.57 113.62 115.22 2gkl n SER 71 Ca -0.18 -2.19 -0.09 0.00 1.01 0.00 0.00 58.87 57.42 2gkl n SER 71 Cb 0.53 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 64.16 2gkl n SER 71 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2gkl s MET 72 N -2.87 0.86 -0.02 1.43 -1.94 -0.31 -0.08 119.30 116.38 2gkl s MET 72 Ca 0.10 -1.38 -0.01 0.00 -1.71 0.00 0.00 55.69 52.69 2gkl s MET 72 Cb 0.01 0.14 0.01 0.00 2.01 0.00 0.00 34.83 37.00 2gkl s MET 72 CO 0.07 -0.19 0.03 0.08 -0.01 0.00 0.00 175.02 175.01 2gkl s VAL 73 N -3.94 -0.02 -0.20 -6.03 1.01 -0.42 -0.48 120.40 110.33 2gkl s VAL 73 Ca 0.19 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2gkl s VAL 73 Cb 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.42 2gkl s VAL 73 CO -0.02 0.03 -0.18 -0.47 0.00 0.00 0.00 175.10 174.47 2gkl s TYR 74 N 0.38 2.87 -0.62 5.22 6.14 -0.17 -0.58 117.35 130.59 2gkl s TYR 74 Ca -0.03 -1.79 -0.20 0.00 0.64 0.00 0.00 57.07 55.68 2gkl s TYR 74 Cb -0.04 -1.91 0.09 0.00 0.42 0.00 0.00 41.96 40.51 2gkl s TYR 74 CO -0.01 -0.82 0.81 -0.06 0.64 0.00 0.00 175.55 176.11 2gkl s PHE 75 N 1.25 2.87 0.67 4.97 0.08 -0.32 -1.22 117.98 126.28 2gkl s PHE 75 Ca 0.02 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.27 2gkl s PHE 75 Cb -0.15 -4.13 0.13 0.00 -0.57 0.00 0.00 43.02 38.31 2gkl s PHE 75 CO -0.11 -1.44 0.91 0.41 -0.10 0.00 0.00 175.22 174.89 2gkl n GLY 76 N 5.30 0.69 0.26 4.36 0.00 -0.26 -4.77 105.19 110.77 2gkl n GLY 76 Ca -0.07 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 2gkl n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gkl h ALA 77 N -0.58 0.74 0.00 4.61 0.00 -1.97 -3.25 119.26 118.81 2gkl h ALA 77 Ca -0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2gkl h ALA 77 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2gkl h ALA 77 CO 0.33 0.66 -1.71 1.63 0.00 0.00 0.00 179.25 180.15 2gkl n LYS 78 N -4.08 0.57 -3.55 0.00 5.02 -1.26 -5.06 118.16 109.79 2gkl n LYS 78 Ca -0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2gkl n LYS 78 Cb 0.49 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2gkl n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gkl n GLY 79 N 1.28 -1.79 3.71 0.72 0.00 -1.23 -4.40 105.19 103.48 2gkl n GLY 79 Ca -0.02 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 2gkl n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gkl s VAL 80 N -2.42 4.78 -0.17 1.61 1.01 0.08 -1.10 120.40 124.18 2gkl s VAL 80 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2gkl s VAL 80 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2gkl s VAL 80 CO 0.00 0.55 -0.02 -0.89 0.00 0.00 0.00 175.10 174.74 2gkl s THR 81 N -0.40 3.92 -0.17 3.92 2.01 -0.35 -0.57 115.64 124.00 2gkl s THR 81 Ca 0.09 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 2gkl s THR 81 Cb -0.12 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2gkl s THR 81 CO 0.02 0.47 0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 2gkl s VAL 82 N 0.61 4.79 -0.41 3.82 1.01 -0.08 -1.00 120.40 129.14 2gkl s VAL 82 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2gkl s VAL 82 Cb -0.14 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.19 2gkl s VAL 82 CO 0.02 0.49 0.23 -0.69 0.00 0.00 0.00 175.10 175.15 2gkl s VAL 83 N 0.14 3.75 0.00 2.92 1.01 0.37 -0.55 120.40 128.04 2gkl s VAL 83 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2gkl s VAL 83 Cb -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2gkl s VAL 83 CO 0.01 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2gkl n GLY 84 N 4.77 0.22 0.00 4.51 0.00 0.14 -1.16 105.19 113.66 2gkl n GLY 84 Ca -0.07 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.95 2gkl n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gkl n ALA 85 N 2.31 2.19 -0.62 4.61 0.00 -0.23 -4.75 120.51 124.02 2gkl n ALA 85 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.42 2gkl n ALA 85 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2gkl n ALA 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gkl n THR 86 N -1.38 0.00 -0.22 0.00 -2.24 -1.25 -3.50 114.28 105.70 2gkl n THR 86 Ca 0.09 0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.95 2gkl n THR 86 Cb 0.23 -0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.13 2gkl n THR 86 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2gkl h TRP 87 N -0.59 0.93 -4.24 4.78 4.06 -1.75 -1.01 115.95 118.13 2gkl h TRP 87 Ca -0.02 -0.07 -0.17 0.00 2.06 0.00 0.00 58.89 60.69 2gkl h TRP 87 Cb 0.58 -0.28 -0.13 0.00 -1.00 0.00 0.00 29.16 28.32 2gkl h TRP 87 CO -0.42 0.73 -0.48 0.95 -3.56 0.00 0.00 178.44 175.67 2gkl s THR 88 N -5.57 0.04 0.41 1.49 -4.23 -1.26 -4.03 115.64 102.48 2gkl s THR 88 Ca -0.13 -1.75 0.15 0.00 -1.18 0.00 0.00 61.69 58.79 2gkl s THR 88 Cb 0.13 -2.20 0.36 0.00 1.34 0.00 0.00 72.50 72.13 2gkl s THR 88 CO 0.80 -0.17 1.87 -0.65 -0.54 0.00 0.00 174.62 175.93 2gkl h PRO 89 N 2.60 0.46 -0.31 3.99 0.11 -1.76 -0.07 132.00 137.01 2gkl h PRO 89 Ca -0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 2gkl h PRO 89 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2gkl h PRO 89 CO 0.50 0.30 0.00 -0.44 -0.21 0.00 0.00 178.00 178.16 2gkl h ASP 90 N 0.47 0.53 0.09 -2.05 5.19 -1.93 -1.06 116.42 117.66 2gkl h ASP 90 Ca 0.44 -0.30 -0.09 0.00 -0.62 0.00 0.00 57.03 56.45 2gkl h ASP 90 Cb 0.99 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 2gkl h ASP 90 CO -0.17 0.71 -0.31 0.71 -3.12 0.00 0.00 179.24 177.06 2gkl h THR 91 N 0.35 1.27 -0.43 0.35 1.35 -1.78 -1.40 112.91 112.61 2gkl h THR 91 Ca 0.09 -1.32 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 2gkl h THR 91 Cb 0.43 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 2gkl h THR 91 CO 0.02 0.41 0.13 0.00 -0.25 0.00 0.00 175.52 175.82 2gkl h ALA 92 N 1.38 0.57 -0.82 6.62 0.00 -0.89 -0.26 119.26 125.86 2gkl h ALA 92 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2gkl h ALA 92 Cb 0.70 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2gkl h ALA 92 CO 0.05 0.22 0.53 -0.09 0.00 0.00 0.00 179.25 179.96 2gkl h ARG 93 N 0.56 1.02 -0.75 0.00 2.43 -0.94 0.36 114.38 117.05 2gkl h ARG 93 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2gkl h ARG 93 Cb 0.27 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2gkl h ARG 93 CO -0.00 0.67 0.45 0.93 -1.51 0.00 0.00 179.97 180.51 2gkl h GLU 94 N 1.05 1.03 -0.57 0.20 4.39 -0.76 -1.48 114.58 118.43 2gkl h GLU 94 Ca 0.32 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 2gkl h GLU 94 Cb -0.04 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 2gkl h GLU 94 CO -0.10 0.73 0.26 1.25 -1.16 0.00 0.00 179.01 180.00 2gkl h LEU 95 N 1.03 0.76 -0.93 1.33 5.85 -0.58 -2.62 115.31 120.15 2gkl h LEU 95 Ca 0.27 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2gkl h LEU 95 Cb -0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2gkl h LEU 95 CO -0.05 0.69 0.62 -0.74 -0.34 0.00 0.00 178.44 178.62 2gkl h HIS 96 N 0.78 1.16 -0.68 1.25 2.76 -0.57 0.32 115.15 120.18 2gkl h HIS 96 Ca 0.20 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2gkl h HIS 96 Cb 0.14 -0.39 -0.05 0.00 1.55 0.00 0.00 27.41 28.66 2gkl h HIS 96 CO 0.00 0.71 0.41 0.87 -1.30 0.00 0.00 177.93 178.63 2gkl h LYS 97 N 1.24 0.76 -0.59 5.26 1.57 -1.16 -0.52 116.57 123.14 2gkl h LYS 97 Ca 0.35 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2gkl h LYS 97 Cb -0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2gkl h LYS 97 CO -0.09 0.51 0.17 -0.07 -0.57 0.00 0.00 179.45 179.39 2gkl h LEU 98 N 0.79 0.87 -0.46 2.94 3.38 -0.93 -3.06 115.31 118.84 2gkl h LEU 98 Ca 0.28 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2gkl h LEU 98 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2gkl h LEU 98 CO -0.13 0.86 0.27 0.40 0.09 0.00 0.00 178.44 179.93 2gkl h ILE 99 N 0.84 1.03 0.00 1.22 2.04 -0.42 -2.39 117.51 119.84 2gkl h ILE 99 Ca 0.19 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2gkl h ILE 99 Cb 0.32 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2gkl h ILE 99 CO -0.00 0.10 0.00 0.11 0.00 0.00 0.00 178.15 178.35 2gkl h LYS 100 N 0.53 0.00 0.00 2.37 1.57 -1.03 0.14 116.57 120.15 2gkl h LYS 100 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2gkl h LYS 100 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2gkl h LYS 100 CO -0.09 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.33 2gkl n ARG 102 N -2.49 0.26 -0.13 3.15 1.74 -0.90 -4.00 116.66 114.30 2gkl n ARG 102 Ca 0.00 0.23 -0.18 0.00 -0.77 0.00 0.00 57.85 57.14 2gkl n ARG 102 Cb 0.17 -1.82 -0.12 0.00 -1.02 0.00 0.00 32.46 29.68 2gkl n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2gkl n VAL 103 N -2.28 1.47 -3.80 1.55 0.31 -0.11 -5.04 118.33 110.43 2gkl n VAL 103 Ca 0.05 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 2gkl n VAL 103 Cb 0.42 -1.40 -0.10 0.00 -0.91 0.00 0.00 33.84 31.84 2gkl n VAL 103 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2gkl s SER 104 N -6.48 -0.17 0.00 4.52 0.15 -0.35 -5.02 113.70 106.35 2gkl s SER 104 Ca -0.34 0.20 0.27 0.00 0.70 0.00 0.00 55.95 56.78 2gkl s SER 104 Cb 0.09 0.38 0.96 0.00 -1.71 0.00 0.00 66.02 65.74 2gkl s SER 104 CO 0.59 -0.28 1.69 -2.11 1.20 0.00 0.00 173.24 174.33 2gkl n ARG 105 N 2.01 1.25 -2.77 5.44 1.85 -1.26 -4.22 116.66 118.96 2gkl n ARG 105 Ca -0.18 -0.70 -0.35 0.00 -1.00 0.00 0.00 57.85 55.61 2gkl n ARG 105 Cb 0.57 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 2gkl n ARG 105 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2gkl s LYS 106 N -2.24 4.40 0.69 2.89 1.02 -1.26 -4.98 119.74 120.27 2gkl s LYS 106 Ca 0.32 1.27 -0.16 0.00 0.02 0.00 0.00 55.97 57.41 2gkl s LYS 106 Cb 0.20 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2gkl s LYS 106 CO 0.42 0.12 1.24 -1.25 -0.92 0.00 0.00 175.35 174.96 2gkl s PRO 108 N -2.53 2.34 -0.40 -1.68 0.04 -1.26 -4.60 135.00 126.91 2gkl s PRO 108 Ca 0.56 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 2gkl s PRO 108 Cb -0.15 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2gkl s PRO 108 CO 0.20 -1.71 1.33 0.08 0.04 0.00 0.00 177.00 176.93 2gkl s VAL 109 N -1.71 4.02 -0.05 -0.36 1.01 -1.26 -0.74 120.40 121.31 2gkl s VAL 109 Ca 0.78 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 2gkl s VAL 109 Cb -0.33 -4.28 -0.31 0.00 0.00 0.00 0.00 36.38 31.46 2gkl s VAL 109 CO 0.42 -0.76 0.85 -0.07 0.00 0.00 0.00 175.10 175.55 2gkl h LEU 110 N 11.72 0.46 -7.09 3.92 3.38 -1.17 -3.37 115.31 123.14 2gkl h LEU 110 Ca -0.26 -0.94 -0.04 0.00 0.09 0.00 0.00 57.88 56.73 2gkl h LEU 110 Cb 1.09 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2gkl h LEU 110 CO 1.08 1.42 0.13 -1.83 0.09 0.00 0.00 178.44 179.34 2gkl s GLU 111 N -2.43 1.17 -0.04 1.13 1.03 -1.22 -1.40 118.70 116.94 2gkl s GLU 111 Ca -0.14 -0.35 0.02 0.00 0.03 0.00 0.00 54.97 54.53 2gkl s GLU 111 Cb 0.01 0.54 0.01 0.00 -0.80 0.00 0.00 34.13 33.89 2gkl s GLU 111 CO 0.82 -0.47 -0.09 0.08 -1.33 0.00 0.00 175.26 174.27 2gkl s VAL 112 N -3.12 0.86 -0.24 1.83 1.01 0.16 -0.90 120.40 120.00 2gkl s VAL 112 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 2gkl s VAL 112 Cb -0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 2gkl s VAL 112 CO -0.07 0.28 0.16 -0.63 0.00 0.00 0.00 175.10 174.84 2gkl s ILE 113 N 0.50 5.37 -0.60 2.22 1.01 0.29 -0.37 121.20 129.61 2gkl s ILE 113 Ca -0.09 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 2gkl s ILE 113 Cb -0.12 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.91 2gkl s ILE 113 CO 0.01 0.35 0.93 0.20 0.00 0.00 0.00 174.94 176.44 2gkl s ASN 114 N 0.99 6.25 0.10 3.58 0.01 0.07 -0.68 114.94 125.26 2gkl s ASN 114 Ca 0.08 -0.71 0.25 0.00 -0.71 0.00 0.00 52.86 51.76 2gkl s ASN 114 Cb -0.13 -2.42 0.97 0.00 0.41 0.00 0.00 41.25 40.08 2gkl s ASN 114 CO 0.04 -1.31 1.77 0.35 -1.51 0.00 0.00 177.10 176.44 2gkl n THR 115 N 6.02 0.47 -3.74 1.60 -2.24 -1.26 -4.66 114.28 110.47 2gkl n THR 115 Ca -0.02 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2gkl n THR 115 Cb 0.46 -0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2gkl n THR 115 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2gkl n ASN 116 N -1.84 -1.27 -0.60 3.42 0.23 -1.26 -1.52 115.26 112.42 2gkl n ASN 116 Ca 0.05 -2.23 0.09 0.00 -0.53 0.00 0.00 54.58 51.97 2gkl n ASN 116 Cb 0.32 2.22 0.30 0.00 -2.08 0.00 0.00 39.78 40.55 2gkl n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gkl n TYR 117 N -0.39 0.30 -2.00 -2.53 4.11 -1.26 -4.51 117.16 110.88 2gkl n TYR 117 Ca -0.03 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.90 57.43 2gkl n TYR 117 Cb 0.41 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.79 2gkl n TYR 117 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2gkl s HIS 118 N -1.70 3.33 0.36 -3.48 3.76 -1.26 -4.78 115.29 111.53 2gkl s HIS 118 Ca 0.30 0.98 0.03 0.00 -0.15 0.00 0.00 55.06 56.22 2gkl s HIS 118 Cb 0.16 -2.97 0.67 0.00 1.11 0.00 0.00 32.58 31.55 2gkl s HIS 118 CO 0.23 -1.06 1.98 1.79 -0.85 0.00 0.00 174.74 176.84 2gkl h THR 119 N -0.52 1.16 0.00 1.30 1.35 -1.92 -0.08 112.91 114.19 2gkl h THR 119 Ca -0.45 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2gkl h THR 119 Cb 1.25 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2gkl h THR 119 CO 0.63 0.17 0.00 -2.24 -0.25 0.00 0.00 175.52 173.84 2gkl h ASP 120 N 0.72 0.00 0.00 5.36 2.03 -1.85 -0.41 116.42 122.27 2gkl h ASP 120 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2gkl h ASP 120 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2gkl h ASP 120 CO -0.03 0.00 -1.09 0.54 -1.03 0.00 0.00 179.24 177.63 2gkl n ARG 121 N -2.38 1.58 0.00 4.15 5.12 -0.81 -3.89 116.66 120.43 2gkl n ARG 121 Ca 0.03 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2gkl n ARG 121 Cb 0.31 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 2gkl n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2gkl n ALA 122 N -1.62 1.39 0.24 7.54 0.00 -0.11 -1.07 120.51 126.89 2gkl n ALA 122 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.32 2gkl n ALA 122 Cb 0.22 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.25 2gkl n ALA 122 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2gkl h GLY 123 N 0.00 0.00 1.52 0.00 0.00 -0.82 -2.23 103.07 101.54 2gkl h GLY 123 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gkl h GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2gkl n GLY 124 N -1.33 -1.03 0.33 4.60 0.00 -0.40 -2.97 105.19 104.38 2gkl n GLY 124 Ca -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.98 2gkl n GLY 124 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2gkl h ASN 125 N 0.00 0.63 -0.89 1.61 4.21 -1.65 -0.76 115.58 118.72 2gkl h ASN 125 Ca 0.00 0.10 0.12 0.00 1.21 0.00 0.00 56.30 57.73 2gkl h ASN 125 Cb 0.20 -0.01 -0.08 0.00 -1.12 0.00 0.00 38.32 37.31 2gkl h ASN 125 CO 0.00 0.23 0.52 0.00 -1.29 0.00 0.00 177.43 176.89 2gkl h ALA 126 N 1.61 1.33 -0.00 -0.83 0.00 -1.85 0.56 119.26 120.08 2gkl h ALA 126 Ca 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 2gkl h ALA 126 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2gkl h ALA 126 CO -0.39 0.09 -0.00 -0.92 0.00 0.00 0.00 179.25 178.03 2gkl h TYR 127 N 0.82 0.00 -0.63 0.00 3.20 -1.44 -1.45 116.97 117.47 2gkl h TYR 127 Ca 0.45 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.37 2gkl h TYR 127 Cb 0.49 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 2gkl h TYR 127 CO -0.05 0.52 0.36 -1.49 -1.64 0.00 0.00 178.16 175.86 2gkl h TRP 128 N -0.52 0.66 -0.76 -3.82 -0.00 -1.23 -0.81 115.95 109.48 2gkl h TRP 128 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 2gkl h TRP 128 Cb 0.52 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 2gkl h TRP 128 CO 0.11 0.34 0.50 0.87 -0.00 0.00 0.00 178.44 180.26 2gkl h LYS 129 N 0.68 1.00 0.00 0.49 1.79 -0.88 -2.11 116.57 117.54 2gkl h LYS 129 Ca 0.27 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2gkl h LYS 129 Cb 0.12 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2gkl h LYS 129 CO -0.15 0.66 -0.06 0.66 -1.08 0.00 0.00 179.45 179.48 2gkl h SER 130 N 1.03 0.00 -0.65 0.86 4.64 -0.04 -0.11 113.55 119.28 2gkl h SER 130 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2gkl h SER 130 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2gkl h SER 130 CO -0.06 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 2gkl n ILE 131 N -4.30 0.87 -0.62 0.95 -5.35 -0.86 -4.95 119.36 105.10 2gkl n ILE 131 Ca -0.03 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2gkl n ILE 131 Cb 0.14 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 2gkl n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gkl n GLY 133 N 1.54 0.74 3.77 3.28 0.00 -0.05 -5.00 105.19 109.47 2gkl n GLY 133 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2gkl n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gkl s ALA 134 N -2.54 3.25 0.46 4.61 0.00 -0.82 -4.98 121.76 121.74 2gkl s ALA 134 Ca 0.00 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 2gkl s ALA 134 Cb 0.00 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 2gkl s ALA 134 CO 0.00 -0.26 1.14 0.15 0.00 0.00 0.00 175.76 176.79 2gkl s LYS 135 N -1.99 3.78 -0.21 0.00 1.02 -0.49 -4.23 119.74 117.62 2gkl s LYS 135 Ca 0.52 1.71 -0.03 0.00 0.02 0.00 0.00 55.97 58.19 2gkl s LYS 135 Cb -0.28 -2.38 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2gkl s LYS 135 CO 0.36 -0.52 -0.08 0.08 -0.92 0.00 0.00 175.35 174.27 2gkl s VAL 136 N -1.59 3.04 -0.07 3.17 1.01 -1.26 -0.66 120.40 124.03 2gkl s VAL 136 Ca 0.64 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2gkl s VAL 136 Cb -0.27 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2gkl s VAL 136 CO 0.33 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.98 2gkl s VAL 137 N 1.43 2.47 0.30 2.92 1.01 0.50 -1.03 120.40 128.00 2gkl s VAL 137 Ca 0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2gkl s VAL 137 Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2gkl s VAL 137 CO -0.06 0.56 0.61 -0.94 0.00 0.00 0.00 175.10 175.27 2gkl s SER 138 N -0.15 0.05 0.72 3.32 1.04 -0.53 -0.75 113.70 117.41 2gkl s SER 138 Ca -0.03 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 2gkl s SER 138 Cb -0.14 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2gkl s SER 138 CO 0.04 -1.34 1.07 0.42 0.98 0.00 0.00 173.24 174.41 2gkl s THR 139 N -3.46 3.77 0.22 2.02 -4.23 -1.26 -0.36 115.64 112.33 2gkl s THR 139 Ca 0.19 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 61.19 2gkl s THR 139 Cb -0.03 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.75 2gkl s THR 139 CO 0.11 -0.75 1.87 -0.09 -0.54 0.00 0.00 174.62 175.22 2gkl h ARG 140 N -0.87 1.10 -0.33 3.99 9.65 -1.02 -1.95 114.38 124.95 2gkl h ARG 140 Ca -0.44 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 58.40 2gkl h ARG 140 Cb 1.22 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 2gkl h ARG 140 CO 0.55 0.76 0.09 0.37 2.80 0.00 0.00 179.97 184.54 2gkl h GLN 141 N 1.12 0.21 -0.51 0.20 4.15 -1.94 -0.38 115.11 117.96 2gkl h GLN 141 Ca 0.30 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.72 2gkl h GLN 141 Cb -0.08 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 2gkl h GLN 141 CO -0.06 0.14 0.33 1.15 -1.93 0.00 0.00 178.83 178.46 2gkl h THR 142 N 0.22 1.09 -0.30 2.39 2.02 -1.82 -1.28 112.91 115.23 2gkl h THR 142 Ca 0.15 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2gkl h THR 142 Cb 0.14 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2gkl h THR 142 CO -0.18 0.12 0.18 -0.09 0.37 0.00 0.00 175.52 175.92 2gkl h ARG 143 N 0.66 0.36 -0.25 6.66 1.12 -0.96 0.88 114.38 122.84 2gkl h ARG 143 Ca 0.20 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 2gkl h ARG 143 Cb -0.03 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 2gkl h ARG 143 CO -0.07 0.24 0.10 -0.44 -3.11 0.00 0.00 179.97 176.69 2gkl h ASP 144 N 0.37 0.35 -0.67 -3.80 3.32 -0.90 -0.42 116.42 114.65 2gkl h ASP 144 Ca 0.12 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2gkl h ASP 144 Cb -0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2gkl h ASP 144 CO -0.05 0.41 0.29 -0.07 -1.72 0.00 0.00 179.24 178.10 2gkl h LEU 145 N 0.26 0.94 -0.40 1.55 3.38 -1.16 -2.19 115.31 117.68 2gkl h LEU 145 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2gkl h LEU 145 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2gkl h LEU 145 CO -0.01 0.83 0.20 -0.03 0.09 0.00 0.00 178.44 179.53 2gkl h MET 146 N 1.01 0.57 -0.57 1.13 4.05 -0.50 0.19 114.93 120.80 2gkl h MET 146 Ca 0.24 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 2gkl h MET 146 Cb 0.18 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 2gkl h MET 146 CO -0.02 0.49 0.33 -0.22 0.23 0.00 0.00 176.91 177.72 2gkl h LYS 147 N 0.51 0.63 0.03 0.39 3.64 -0.82 -1.38 116.57 119.57 2gkl h LYS 147 Ca 0.14 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.24 2gkl h LYS 147 Cb 0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2gkl h LYS 147 CO -0.02 0.42 -1.22 0.66 -2.27 0.00 0.00 179.45 177.02 2gkl h SER 148 N 0.65 0.10 -0.02 4.20 4.64 -1.23 -3.39 113.55 118.50 2gkl h SER 148 Ca 0.24 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2gkl h SER 148 Cb 0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2gkl h SER 148 CO -0.12 1.10 0.00 0.47 -0.87 0.00 0.00 176.83 177.41 2gkl n ASP 149 N -3.33 1.44 -0.02 4.97 9.92 0.64 -4.74 116.55 125.43 2gkl n ASP 149 Ca -0.06 -1.31 -0.09 0.00 -0.53 0.00 0.00 54.79 52.80 2gkl n ASP 149 Cb 0.98 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 41.42 2gkl n ASP 149 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2gkl h TRP 150 N 0.49 -0.10 -0.71 1.24 2.91 -1.39 -0.73 115.95 117.67 2gkl h TRP 150 Ca 0.00 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.16 2gkl h TRP 150 Cb 0.21 0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 28.84 2gkl h TRP 150 CO 0.01 -0.08 0.26 0.00 -1.03 0.00 0.00 178.44 177.60 2gkl h ALA 151 N 1.15 0.95 -0.35 2.65 0.00 -1.85 -0.21 119.26 121.61 2gkl h ALA 151 Ca 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2gkl h ALA 151 Cb 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2gkl h ALA 151 CO -0.17 -0.22 0.12 1.49 0.00 0.00 0.00 179.25 180.46 2gkl h GLU 152 N 0.40 0.53 -0.28 0.00 4.81 -1.67 -1.19 114.58 117.19 2gkl h GLU 152 Ca 0.38 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2gkl h GLU 152 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2gkl h GLU 152 CO -0.39 0.55 -0.21 0.97 -0.73 0.00 0.00 179.01 179.20 2gkl h ILE 153 N 0.41 1.26 -0.26 2.32 6.09 -0.47 -0.17 117.51 126.68 2gkl h ILE 153 Ca 0.11 -1.20 -0.02 0.00 -1.37 0.00 0.00 64.86 62.38 2gkl h ILE 153 Cb 0.23 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 2gkl h ILE 153 CO -0.01 0.39 0.09 0.58 -3.07 0.00 0.00 178.15 176.13 2gkl h VAL 154 N 0.47 1.19 -0.55 2.19 2.07 -0.94 0.94 116.25 121.61 2gkl h VAL 154 Ca 0.07 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2gkl h VAL 154 Cb 0.62 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2gkl h VAL 154 CO 0.04 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.16 2gkl h ALA 155 N 0.92 0.70 -0.58 1.67 0.00 -0.96 -0.83 119.26 120.19 2gkl h ALA 155 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2gkl h ALA 155 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2gkl h ALA 155 CO -0.00 0.06 0.16 0.35 0.00 0.00 0.00 179.25 179.82 2gkl h PHE 156 N 0.67 0.95 -0.85 0.00 3.57 -0.84 -1.76 116.94 118.67 2gkl h PHE 156 Ca 0.22 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2gkl h PHE 156 Cb 0.00 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 2gkl h PHE 156 CO -0.06 0.80 0.55 1.15 -2.23 0.00 0.00 178.31 178.53 2gkl h THR 157 N 0.82 1.22 0.00 4.41 2.02 -0.37 -2.56 112.91 118.45 2gkl h THR 157 Ca 0.18 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2gkl h THR 157 Cb 0.32 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2gkl h THR 157 CO -0.00 0.22 0.00 0.03 0.37 0.00 0.00 175.52 176.13 2gkl h ARG 158 N 1.15 0.00 -0.47 6.66 3.08 -0.72 -1.03 114.38 123.05 2gkl h ARG 158 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2gkl h ARG 158 Cb -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2gkl h ARG 158 CO -0.07 0.00 0.24 0.87 -1.07 0.00 0.00 179.97 179.94 2gkl h LYS 159 N 0.00 0.67 0.00 0.04 1.57 -0.89 -2.22 116.57 115.74 2gkl h LYS 159 Ca 0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2gkl h LYS 159 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2gkl h LYS 159 CO 0.00 0.55 -1.15 0.78 -0.57 0.00 0.00 179.45 179.06 2gkl h GLY 160 N 0.62 0.00 -6.30 3.86 0.00 -1.59 -3.41 103.07 96.25 2gkl h GLY 160 Ca 0.16 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.91 2gkl h GLY 160 CO -0.02 0.00 -0.84 1.04 0.00 0.00 0.00 176.54 176.72 2gkl n LEU 161 N -2.85 1.59 0.13 3.11 4.77 -0.40 -4.97 117.00 118.37 2gkl n LEU 161 Ca -0.05 -4.94 0.16 0.00 -0.03 0.00 0.00 56.01 51.15 2gkl n LEU 161 Cb 0.72 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.54 2gkl n LEU 161 CO 0.41 1.98 1.15 -0.65 -1.33 0.00 0.00 177.39 178.95 2gkl h PRO 162 N 4.58 0.00 0.00 3.23 0.10 -1.64 -0.09 132.00 138.18 2gkl h PRO 162 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.26 2gkl h PRO 162 Cb 0.80 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.90 2gkl h PRO 162 CO 0.60 0.00 0.00 1.05 0.10 0.00 0.00 178.00 179.75 2gkl h GLU 163 N 0.00 0.00 -6.72 1.05 9.09 -1.93 -3.45 114.58 112.62 2gkl h GLU 163 Ca 0.14 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.03 2gkl h GLU 163 Cb 0.62 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.76 2gkl h GLU 163 CO -0.00 0.00 0.67 -0.47 0.05 0.00 0.00 179.01 179.26 2gkl s TYR 164 N -3.70 3.18 0.65 2.06 5.04 -0.05 -4.98 117.35 119.55 2gkl s TYR 164 Ca -0.00 1.20 -0.16 0.00 -2.44 0.00 0.00 57.07 55.66 2gkl s TYR 164 Cb 0.10 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 2gkl s TYR 164 CO 0.42 -2.06 1.15 -1.25 -1.34 0.00 0.00 175.55 172.47 2gkl s PRO 165 N -0.39 2.77 -1.33 4.97 0.04 -1.26 -4.89 135.00 134.91 2gkl s PRO 165 Ca 0.56 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2gkl s PRO 165 Cb -0.38 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.33 2gkl s PRO 165 CO 0.41 -1.31 1.84 -3.47 0.04 0.00 0.00 177.00 174.51 2gkl n ASP 166 N -2.17 4.71 -4.72 6.66 2.03 -1.26 -4.98 116.55 116.83 2gkl n ASP 166 Ca 0.12 -2.94 -0.42 0.00 0.52 0.00 0.00 54.79 52.07 2gkl n ASP 166 Cb 0.51 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.23 2gkl n ASP 166 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2gkl s LEU 167 N 2.45 4.39 0.64 -2.67 1.43 -1.26 -5.02 118.68 118.64 2gkl s LEU 167 Ca 0.48 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.49 2gkl s LEU 167 Cb 0.06 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 2gkl s LEU 167 CO 0.00 -0.45 1.12 -2.16 0.23 0.00 0.00 176.35 175.09 2gkl s PRO 168 N 0.79 2.85 0.17 1.29 0.05 -1.26 -4.96 135.00 133.94 2gkl s PRO 168 Ca 0.58 1.46 -0.34 0.00 0.05 0.00 0.00 61.00 62.75 2gkl s PRO 168 Cb -0.30 -1.95 -0.14 0.00 0.05 0.00 0.00 34.50 32.15 2gkl s PRO 168 CO 0.31 -1.22 1.53 -0.11 0.05 0.00 0.00 177.00 177.55 2gkl n LEU 169 N -2.24 2.99 -3.70 -3.56 7.94 -1.26 -4.99 117.00 112.18 2gkl n LEU 169 Ca 0.11 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.83 2gkl n LEU 169 Cb 0.52 -1.41 -0.16 0.00 0.53 0.00 0.00 43.42 42.89 2gkl n LEU 169 CO 0.47 -0.38 -0.35 -0.69 -1.11 0.00 0.00 177.39 175.32 2gkl s VAL 170 N 0.70 0.43 0.41 1.96 1.01 -1.26 -5.09 120.40 118.57 2gkl s VAL 170 Ca 0.77 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 2gkl s VAL 170 Cb -0.69 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2gkl s VAL 170 CO 0.41 -0.33 0.81 -0.76 0.00 0.00 0.00 175.10 175.22 2gkl s LEU 171 N 1.89 3.85 0.40 3.92 1.43 -1.26 -4.90 118.68 124.01 2gkl s LEU 171 Ca 0.02 1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 54.12 2gkl s LEU 171 Cb -0.17 -4.13 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 2gkl s LEU 171 CO -0.13 -0.39 1.25 -2.65 0.23 0.00 0.00 176.35 174.67 2gkl n PRO 172 N -1.11 1.92 -0.04 1.29 -0.02 -1.26 -4.93 135.00 130.85 2gkl n PRO 172 Ca 0.04 0.68 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 2gkl n PRO 172 Cb 0.54 -2.34 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 2gkl n PRO 172 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2gkl n ASN 173 N 0.35 2.37 -3.88 2.55 2.04 -0.20 -4.84 115.26 113.64 2gkl n ASN 173 Ca 0.06 -1.67 -0.29 0.00 -0.44 0.00 0.00 54.58 52.25 2gkl n ASN 173 Cb 0.39 -0.05 -0.16 0.00 -2.53 0.00 0.00 39.78 37.43 2gkl n ASN 173 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2gkl s VAL 174 N -1.16 1.19 -0.12 3.53 1.01 -0.51 -4.93 120.40 119.42 2gkl s VAL 174 Ca 0.19 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2gkl s VAL 174 Cb 0.13 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2gkl s VAL 174 CO 0.18 -0.05 -0.21 -0.69 0.00 0.00 0.00 175.10 174.33 2gkl s VAL 175 N 1.56 1.89 -0.13 2.92 1.01 -1.26 -1.46 120.40 124.94 2gkl s VAL 175 Ca -0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 2gkl s VAL 175 Cb -0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2gkl s VAL 175 CO -0.07 0.52 0.04 -1.00 0.00 0.00 0.00 175.10 174.58 2gkl s HIS 176 N 0.68 3.23 -0.59 5.22 3.76 0.51 -4.83 115.29 123.27 2gkl s HIS 176 Ca -0.12 0.12 0.26 0.00 -0.15 0.00 0.00 55.06 55.18 2gkl s HIS 176 Cb -0.16 -1.94 0.82 0.00 1.11 0.00 0.00 32.58 32.41 2gkl s HIS 176 CO 0.02 0.32 1.75 -0.44 -0.85 0.00 0.00 174.74 175.54 2gkl h ASP 177 N 5.90 0.00 -0.05 1.40 3.32 -1.95 0.15 116.42 125.20 2gkl h ASP 177 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2gkl h ASP 177 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2gkl h ASP 177 CO 0.62 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2gkl n GLY 178 N 0.92 5.31 3.76 2.75 0.00 -1.26 -4.85 105.19 111.82 2gkl n GLY 178 Ca 0.04 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2gkl n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gkl s ASP 179 N 1.00 4.50 0.15 1.61 1.01 -1.26 -4.91 116.67 118.77 2gkl s ASP 179 Ca 0.00 1.92 -0.19 0.00 0.71 0.00 0.00 52.55 54.99 2gkl s ASP 179 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.45 2gkl s ASP 179 CO 0.00 -2.04 0.50 0.72 0.21 0.00 0.00 175.17 174.56 2gkl s PHE 180 N -2.71 -0.35 0.18 4.23 -0.71 -0.51 -5.03 117.98 113.09 2gkl s PHE 180 Ca 0.64 0.08 0.06 0.00 -1.04 0.00 0.00 56.93 56.67 2gkl s PHE 180 Cb -0.19 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 2gkl s PHE 180 CO 0.52 -0.79 -0.12 0.95 -1.34 0.00 0.00 175.22 174.44 2gkl s THR 181 N -3.78 1.50 0.25 -4.49 -4.23 -1.26 -0.15 115.64 103.47 2gkl s THR 181 Ca 0.02 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2gkl s THR 181 Cb 0.00 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 2gkl s THR 181 CO -0.12 -0.65 0.15 -0.76 -0.54 0.00 0.00 174.62 172.70 2gkl s LEU 182 N -3.26 1.42 -1.28 4.79 1.43 0.45 -4.86 118.68 117.38 2gkl s LEU 182 Ca 0.20 -1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 51.83 2gkl s LEU 182 Cb 0.01 0.29 -0.00 0.00 0.03 0.00 0.00 46.19 46.52 2gkl s LEU 182 CO 0.04 -0.85 0.74 0.00 0.23 0.00 0.00 176.35 176.51 2gkl n GLN 183 N -0.41 -4.91 -3.76 1.70 1.13 -1.26 -1.81 117.38 108.06 2gkl n GLN 183 Ca 0.02 0.65 -0.26 0.00 -1.94 0.00 0.00 57.00 55.47 2gkl n GLN 183 Cb 0.65 -5.24 0.05 0.00 0.11 0.00 0.00 30.24 25.81 2gkl n GLN 183 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2gkl n GLU 184 N -4.22 -6.28 -1.00 -1.09 -0.58 -1.26 -1.56 120.64 104.65 2gkl n GLU 184 Ca -0.29 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2gkl n GLU 184 Cb 0.67 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 2gkl n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gkl n GLY 185 N -1.74 0.77 0.18 0.62 0.00 -0.96 -4.90 105.19 99.16 2gkl n GLY 185 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2gkl n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gkl n LYS 186 N -2.43 0.57 -4.01 1.61 4.76 -0.60 -4.63 118.16 113.44 2gkl n LYS 186 Ca 0.00 -0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 54.77 2gkl n LYS 186 Cb 0.00 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 2gkl n LYS 186 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2gkl s VAL 187 N -2.68 1.59 -0.24 -0.18 1.01 -0.75 -4.11 120.40 115.04 2gkl s VAL 187 Ca 0.19 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2gkl s VAL 187 Cb 0.18 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 35.06 2gkl s VAL 187 CO 0.61 0.34 -0.07 -0.13 0.00 0.00 0.00 175.10 175.84 2gkl s ARG 188 N 1.45 1.83 -0.18 2.72 0.52 0.15 -0.41 118.95 125.04 2gkl s ARG 188 Ca 0.02 -1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 54.00 2gkl s ARG 188 Cb -0.14 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 2gkl s ARG 188 CO -0.10 -0.59 0.22 0.00 0.02 0.00 0.00 175.30 174.86 2gkl s ALA 189 N 1.29 3.63 0.04 2.13 0.00 0.79 -0.60 121.76 129.04 2gkl s ALA 189 Ca -0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 2gkl s ALA 189 Cb -0.19 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2gkl s ALA 189 CO -0.06 0.12 0.19 -0.59 0.00 0.00 0.00 175.76 175.42 2gkl s PHE 190 N 0.42 0.06 -0.17 0.00 -0.71 -0.36 -1.42 117.98 115.81 2gkl s PHE 190 Ca 0.13 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.65 2gkl s PHE 190 Cb -0.12 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2gkl s PHE 190 CO 0.01 -0.43 0.08 -0.47 -1.34 0.00 0.00 175.22 173.07 2gkl s TYR 191 N -2.64 3.32 -0.08 3.49 5.04 -1.26 -0.84 117.35 124.37 2gkl s TYR 191 Ca -0.05 0.19 0.12 0.00 -2.44 0.00 0.00 57.07 54.90 2gkl s TYR 191 Cb -0.01 -2.04 0.19 0.00 0.35 0.00 0.00 41.96 40.45 2gkl s TYR 191 CO -0.04 0.29 1.10 0.00 -1.34 0.00 0.00 175.55 175.56 2gkl n ALA 192 N 3.18 2.18 0.00 3.97 0.00 -1.26 -5.03 120.51 123.55 2gkl n ALA 192 Ca -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.21 2gkl n ALA 192 Cb 0.53 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2gkl n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gkl n GLY 193 N -0.92 1.78 3.80 0.00 0.00 -1.26 -4.55 105.19 104.04 2gkl n GLY 193 Ca 0.10 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2gkl n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gkl s PRO 194 N -1.76 3.85 0.00 1.61 0.04 -1.25 -4.75 135.00 132.74 2gkl s PRO 194 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2gkl s PRO 194 Cb 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2gkl s PRO 194 CO 0.00 -0.39 0.00 0.00 0.04 0.00 0.00 177.00 176.65 2gkl n ALA 195 N -0.88 0.00 -0.10 8.56 0.00 -1.26 -4.01 120.51 122.82 2gkl n ALA 195 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 2gkl n ALA 195 Cb 0.52 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.15 2gkl n ALA 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gkl h HIS 196 N 0.00 0.81 -3.35 0.00 -0.00 -1.89 -0.03 115.15 110.69 2gkl h HIS 196 Ca 0.00 -0.10 -0.44 0.00 -0.00 0.00 0.00 60.37 59.83 2gkl h HIS 196 Cb 0.00 -0.23 -0.14 0.00 -0.00 0.00 0.00 27.41 27.04 2gkl h HIS 196 CO 0.00 0.74 -0.58 0.95 -0.00 0.00 0.00 177.93 179.04 2gkl s THR 197 N -5.04 0.66 0.37 6.26 -4.23 -1.26 -2.76 115.64 109.64 2gkl s THR 197 Ca -0.09 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.71 2gkl s THR 197 Cb 0.15 -2.58 0.31 0.00 1.34 0.00 0.00 72.50 71.72 2gkl s THR 197 CO 0.80 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 176.29 2gkl h PRO 198 N 2.15 0.00 -0.00 3.99 0.11 -1.84 -3.34 132.00 133.06 2gkl h PRO 198 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2gkl h PRO 198 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2gkl h PRO 198 CO 0.60 0.11 -0.31 -0.40 -0.21 0.00 0.00 178.00 177.78 2gkl n ASP 199 N -3.51 0.46 -4.67 -2.05 5.75 -1.26 -3.94 116.55 107.33 2gkl n ASP 199 Ca -0.01 -0.73 -0.45 0.00 -0.01 0.00 0.00 54.79 53.59 2gkl n ASP 199 Cb 0.25 0.91 -0.03 0.00 -1.03 0.00 0.00 41.12 41.23 2gkl n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gkl n GLY 200 N 1.11 0.80 3.70 6.12 0.00 -1.25 -4.79 105.19 110.88 2gkl n GLY 200 Ca 0.02 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 2gkl n GLY 200 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gkl s ILE 201 N -0.02 3.77 0.13 -0.61 -4.36 -0.57 -4.66 121.20 114.87 2gkl s ILE 201 Ca 0.68 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 59.39 2gkl s ILE 201 Cb -0.65 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.02 2gkl s ILE 201 CO 0.49 -0.32 0.29 -0.36 0.24 0.00 0.00 174.94 175.28 2gkl s PHE 202 N -2.16 3.50 -0.08 1.37 0.08 -0.02 -4.73 117.98 115.94 2gkl s PHE 202 Ca 0.31 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.66 2gkl s PHE 202 Cb -0.07 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2gkl s PHE 202 CO 0.21 0.50 -0.15 0.08 -0.10 0.00 0.00 175.22 175.76 2gkl s VAL 203 N -1.67 1.37 -0.01 -0.44 1.01 -1.23 -1.22 120.40 118.21 2gkl s VAL 203 Ca 0.36 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2gkl s VAL 203 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2gkl s VAL 203 CO 0.28 0.41 -0.24 -0.47 0.00 0.00 0.00 175.10 175.08 2gkl s TYR 204 N 0.63 2.17 -0.55 5.22 5.04 0.23 0.12 117.35 130.21 2gkl s TYR 204 Ca -0.15 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 2gkl s TYR 204 Cb -0.16 -1.39 0.14 0.00 0.35 0.00 0.00 41.96 40.90 2gkl s TYR 204 CO 0.04 -0.02 0.31 -0.06 -1.34 0.00 0.00 175.55 174.48 2gkl s PHE 205 N -0.59 3.25 0.32 4.97 0.40 0.09 -0.67 117.98 125.75 2gkl s PHE 205 Ca 0.09 -3.13 0.01 0.00 -0.60 0.00 0.00 56.93 53.31 2gkl s PHE 205 Cb -0.09 -2.87 0.57 0.00 0.51 0.00 0.00 43.02 41.14 2gkl s PHE 205 CO -0.01 -0.74 1.95 -1.00 0.70 0.00 0.00 175.22 176.13 2gkl h PRO 209 N 6.47 0.94 -0.58 0.24 0.13 -1.86 0.19 132.00 137.54 2gkl h PRO 209 Ca -0.05 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 2gkl h PRO 209 Cb 0.89 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2gkl h PRO 209 CO 0.70 0.62 0.04 -0.44 -0.23 0.00 0.00 178.00 178.69 2gkl h ASP 210 N 0.97 0.96 0.16 1.44 3.32 -1.95 -3.03 116.42 118.29 2gkl h ASP 210 Ca 0.33 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2gkl h ASP 210 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2gkl h ASP 210 CO -0.10 1.01 -0.60 -0.62 -1.72 0.00 0.00 179.24 177.21 2gkl n GLU 211 N -4.27 0.47 -3.71 3.56 4.71 -1.10 -4.98 120.64 115.32 2gkl n GLU 211 Ca 0.02 -0.35 -0.22 0.00 -0.01 0.00 0.00 57.16 56.60 2gkl n GLU 211 Cb 0.31 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 29.29 2gkl n GLU 211 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2gkl n GLN 215 N -0.96 -5.20 -4.70 3.49 6.02 0.64 -4.74 117.38 111.93 2gkl n GLN 215 Ca 0.07 0.64 -0.33 0.00 -0.01 0.00 0.00 57.00 57.37 2gkl n GLN 215 Cb 0.37 -5.29 -0.14 0.00 1.02 0.00 0.00 30.24 26.20 2gkl n GLN 215 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gkl s VAL 216 N -3.59 3.03 -0.20 5.09 1.01 -1.03 -0.62 120.40 124.10 2gkl s VAL 216 Ca 0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2gkl s VAL 216 Cb -0.06 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2gkl s VAL 216 CO 0.81 0.52 -0.02 -0.22 0.00 0.00 0.00 175.10 176.19 2gkl s LEU 217 N 0.46 3.15 -0.16 3.92 2.96 0.07 -0.73 118.68 128.34 2gkl s LEU 217 Ca -0.09 -0.25 -0.28 0.00 -0.22 0.00 0.00 54.13 53.29 2gkl s LEU 217 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2gkl s LEU 217 CO 0.05 0.06 0.96 -0.47 -1.32 0.00 0.00 176.35 175.63 2gkl s TYR 218 N 1.04 3.43 -0.82 5.38 5.04 0.12 -0.75 117.35 130.78 2gkl s TYR 218 Ca 0.01 1.46 0.26 0.00 -2.44 0.00 0.00 57.07 56.36 2gkl s TYR 218 Cb -0.14 -3.16 0.75 0.00 0.35 0.00 0.00 41.96 39.75 2gkl s TYR 218 CO 0.01 -0.30 1.63 0.41 -1.34 0.00 0.00 175.55 175.96 2gkl n GLY 219 N 3.27 -1.50 7.00 8.97 0.00 0.87 -3.49 105.19 120.32 2gkl n GLY 219 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2gkl n GLY 219 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gkl n ASN 220 N -1.90 -3.22 0.00 1.61 4.05 -1.26 -1.20 115.26 113.35 2gkl n ASN 220 Ca 0.05 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.13 2gkl n ASN 220 Cb 0.39 0.00 0.25 0.00 1.23 0.00 0.00 39.78 41.65 2gkl n ASN 220 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2gkl h ILE 222 N 0.00 1.34 -3.71 0.00 2.04 -1.54 -3.45 117.51 112.20 2gkl h ILE 222 Ca 0.00 -2.28 -0.68 0.00 1.00 0.00 0.00 64.86 62.89 2gkl h ILE 222 Cb 0.09 2.61 -0.32 0.00 -0.74 0.00 0.00 36.82 38.46 2gkl h ILE 222 CO 0.00 0.69 -0.88 -0.76 0.00 0.00 0.00 178.15 177.20 2gkl s LEU 223 N -8.09 2.11 0.04 1.44 1.43 -0.74 -4.92 118.68 109.96 2gkl s LEU 223 Ca -0.11 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 2gkl s LEU 223 Cb 0.05 -1.40 0.10 0.00 0.03 0.00 0.00 46.19 44.97 2gkl s LEU 223 CO 0.89 0.21 1.20 -1.59 0.23 0.00 0.00 176.35 177.29 2gkl s LYS 224 N 0.05 0.67 -0.12 1.70 -2.85 -1.26 -1.50 119.74 116.43 2gkl s LYS 224 Ca -0.10 -0.41 -0.16 0.00 -1.00 0.00 0.00 55.97 54.30 2gkl s LYS 224 Cb -0.16 0.20 -0.26 0.00 -2.06 0.00 0.00 37.83 35.55 2gkl s LYS 224 CO 0.06 -0.31 0.51 0.93 0.10 0.00 0.00 175.35 176.64 2gkl h GLU 225 N 2.00 0.20 -6.69 1.78 5.08 -1.90 -3.42 114.58 111.64 2gkl h GLU 225 Ca -0.26 -0.35 -0.46 0.00 -1.00 0.00 0.00 59.36 57.29 2gkl h GLU 225 Cb 1.20 0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.61 2gkl h GLU 225 CO 0.31 1.17 -0.10 0.15 -1.00 0.00 0.00 179.01 179.54 2gkl s LYS 226 N -2.46 3.08 0.22 2.33 1.02 -1.26 -4.93 119.74 117.74 2gkl s LYS 226 Ca -0.21 -0.49 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 2gkl s LYS 226 Cb 0.04 -2.56 0.29 0.00 -0.52 0.00 0.00 37.83 35.08 2gkl s LYS 226 CO 0.74 -0.26 1.81 1.25 -0.92 0.00 0.00 175.35 177.98 2gkl h LEU 231 N 0.41 0.61 0.00 3.17 5.85 -1.97 -3.47 115.31 119.92 2gkl h LEU 231 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2gkl h LEU 231 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2gkl h LEU 231 CO 0.57 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.67 2gkl n GLY 232 N -1.30 -0.29 3.69 3.75 0.00 -1.26 -4.79 105.19 105.00 2gkl n GLY 232 Ca 0.10 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2gkl n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gkl s ASN 233 N -4.00 6.73 0.00 1.61 3.84 -1.26 -4.94 114.94 116.91 2gkl s ASN 233 Ca 0.00 0.87 0.09 0.00 0.21 0.00 0.00 52.86 54.03 2gkl s ASN 233 Cb 0.00 -2.33 0.20 0.00 -0.55 0.00 0.00 41.25 38.57 2gkl s ASN 233 CO 0.00 -0.14 1.10 0.18 -2.79 0.00 0.00 177.10 175.45 2gkl n LEU 234 N 4.30 2.49 0.15 3.21 4.77 -1.26 -4.70 117.00 125.97 2gkl n LEU 234 Ca -0.04 -1.72 0.16 0.00 -0.03 0.00 0.00 56.01 54.38 2gkl n LEU 234 Cb 0.51 -0.14 0.74 0.00 -2.33 0.00 0.00 43.42 42.19 2gkl n LEU 234 CO 0.44 0.60 1.14 0.28 -1.33 0.00 0.00 177.39 178.52 2gkl h SER 235 N 1.72 0.00 -0.17 -1.43 0.02 -1.92 -1.64 113.55 110.13 2gkl h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gkl h SER 235 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2gkl h SER 235 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 2gkl n PHE 236 N -4.19 0.22 -2.78 3.45 3.01 -1.26 -5.05 117.46 110.86 2gkl n PHE 236 Ca 0.03 -0.26 -0.31 0.00 1.01 0.00 0.00 57.45 57.91 2gkl n PHE 236 Cb 0.35 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.77 2gkl n PHE 236 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gkl s ALA 237 N -0.92 3.26 -0.62 4.37 0.00 -0.62 -4.31 121.76 122.93 2gkl s ALA 237 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 2gkl s ALA 237 Cb 0.10 -2.84 0.16 0.00 0.00 0.00 0.00 23.12 20.54 2gkl s ALA 237 CO 0.13 -0.02 0.52 0.34 0.00 0.00 0.00 175.76 176.74 2gkl s ASP 238 N -2.98 6.04 0.22 0.00 -1.08 -0.03 -4.96 116.67 113.88 2gkl s ASP 238 Ca 0.54 -2.28 -0.04 0.00 -0.52 0.00 0.00 52.55 50.25 2gkl s ASP 238 Cb -0.10 -2.08 0.20 0.00 -1.46 0.00 0.00 42.92 39.47 2gkl s ASP 238 CO 0.29 -0.64 1.64 0.58 0.52 0.00 0.00 175.17 177.56 2gkl h VAL 239 N 5.54 1.27 -0.16 1.11 2.07 -1.93 -0.32 116.25 123.83 2gkl h VAL 239 Ca -0.10 -1.31 -0.17 0.00 0.82 0.00 0.00 66.70 65.94 2gkl h VAL 239 Cb 1.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2gkl h VAL 239 CO 0.84 0.44 -0.60 0.11 0.02 0.00 0.00 177.57 178.38 2gkl h LYS 240 N 0.68 0.52 0.00 1.57 1.57 -1.93 -3.20 116.57 115.78 2gkl h LYS 240 Ca 0.10 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2gkl h LYS 240 Cb 0.71 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2gkl h LYS 240 CO 0.05 0.96 -0.52 0.00 -0.57 0.00 0.00 179.45 179.37 2gkl h ALA 241 N 0.96 0.80 -0.39 3.86 0.00 -1.77 -3.37 119.26 119.34 2gkl h ALA 241 Ca -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2gkl h ALA 241 Cb 1.15 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2gkl h ALA 241 CO 0.11 0.65 -0.32 -0.92 0.00 0.00 0.00 179.25 178.77 2gkl h TYR 242 N 0.00 -0.89 0.00 0.00 5.03 -1.06 0.79 116.97 120.84 2gkl h TYR 242 Ca -0.01 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.29 2gkl h TYR 242 Cb 1.20 0.45 -0.01 0.00 1.55 0.00 0.00 36.73 39.91 2gkl h TYR 242 CO 0.00 -0.38 -0.34 -1.00 -1.32 0.00 0.00 178.16 175.12 2gkl h PRO 243 N -0.25 0.00 -0.78 1.82 0.13 -1.75 -1.71 132.00 129.46 2gkl h PRO 243 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 2gkl h PRO 243 Cb 0.54 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.63 2gkl h PRO 243 CO -0.53 0.34 0.35 1.96 -0.23 0.00 0.00 178.00 179.89 2gkl h GLN 244 N 0.00 1.13 -0.37 0.86 4.20 -1.16 0.17 115.11 119.93 2gkl h GLN 244 Ca -0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2gkl h GLN 244 Cb 0.64 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2gkl h GLN 244 CO 0.04 0.88 0.07 1.15 -0.67 0.00 0.00 178.83 180.31 2gkl h THR 245 N 1.11 1.23 -0.62 -0.54 2.02 -0.44 -0.01 112.91 115.67 2gkl h THR 245 Ca 0.27 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2gkl h THR 245 Cb 0.14 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2gkl h THR 245 CO -0.03 0.28 0.35 -0.07 0.37 0.00 0.00 175.52 176.41 2gkl h LEU 246 N 0.45 0.75 -0.38 2.58 3.38 -1.09 -0.53 115.31 120.47 2gkl h LEU 246 Ca 0.11 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2gkl h LEU 246 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gkl h LEU 246 CO 0.00 0.60 -0.68 -0.33 0.09 0.00 0.00 178.44 178.13 2gkl h GLU 247 N 0.86 0.56 -0.98 1.13 4.39 -0.79 -0.94 114.58 118.80 2gkl h GLU 247 Ca 0.22 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.53 2gkl h GLU 247 Cb 0.01 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 2gkl h GLU 247 CO -0.04 1.04 0.65 0.00 -1.16 0.00 0.00 179.01 179.50 2gkl h ARG 248 N 0.40 1.23 0.06 2.33 3.08 -0.61 -0.24 114.38 120.63 2gkl h ARG 248 Ca -0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2gkl h ARG 248 Cb 1.26 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2gkl h ARG 248 CO 0.13 0.82 -0.03 1.25 -1.07 0.00 0.00 179.97 181.07 2gkl h LEU 249 N 1.27 -0.06 -1.46 3.04 5.85 -0.88 -3.07 115.31 119.99 2gkl h LEU 249 Ca 0.38 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2gkl h LEU 249 Cb -0.04 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2gkl h LEU 249 CO -0.11 0.07 0.12 0.11 -0.34 0.00 0.00 178.44 178.29 2gkl h LYS 250 N -0.20 0.48 0.00 1.25 1.57 -0.82 -1.80 116.57 117.05 2gkl h LYS 250 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2gkl h LYS 250 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2gkl h LYS 250 CO 0.01 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 2gkl h ALA 251 N 1.66 1.00 0.00 3.86 0.00 -0.96 -1.83 119.26 122.99 2gkl h ALA 251 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gkl h ALA 251 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2gkl h ALA 251 CO -0.01 0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.76 2gkl h MET 252 N 0.00 0.00 -6.18 0.00 2.86 -1.26 -3.47 114.93 106.88 2gkl h MET 252 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 2gkl h MET 252 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.00 2gkl h MET 252 CO 0.00 0.00 -0.75 1.63 1.06 0.00 0.00 176.91 178.85 2gkl n LYS 253 N -2.75 -5.94 -2.17 1.72 5.02 -0.69 -4.93 118.16 108.43 2gkl n LYS 253 Ca 0.01 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 2gkl n LYS 253 Cb 0.29 -5.53 -0.03 0.00 -0.02 0.00 0.00 35.03 29.74 2gkl n LYS 253 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gkl s LEU 254 N -7.19 4.39 -0.13 -0.35 1.43 -1.26 -4.94 118.68 110.64 2gkl s LEU 254 Ca 0.55 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 2gkl s LEU 254 Cb -0.27 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 2gkl s LEU 254 CO 0.81 -0.60 1.98 -2.84 0.23 0.00 0.00 176.35 175.93 2gkl s PRO 255 N 0.33 3.65 -0.12 1.29 0.02 -1.26 -4.96 135.00 133.95 2gkl s PRO 255 Ca 0.60 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.77 2gkl s PRO 255 Cb -0.37 -4.22 0.03 0.00 0.02 0.00 0.00 34.50 29.96 2gkl s PRO 255 CO 0.36 -1.50 -0.08 0.42 -0.33 0.00 0.00 177.00 175.87 2gkl s ILE 256 N 6.17 1.11 -0.15 2.83 1.01 -1.26 -4.55 121.20 126.36 2gkl s ILE 256 Ca 0.89 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 61.28 2gkl s ILE 256 Cb -0.34 -1.12 -0.23 0.00 0.01 0.00 0.00 42.46 40.77 2gkl s ILE 256 CO 0.36 0.37 0.24 0.29 0.00 0.00 0.00 174.94 176.20 2gkl n LYS 257 N 4.91 0.68 -3.88 2.79 5.02 0.21 -4.57 118.16 123.32 2gkl n LYS 257 Ca -0.13 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 2gkl n LYS 257 Cb 0.50 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.72 2gkl n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2gkl s THR 258 N -2.54 0.07 -0.11 -0.18 2.01 -0.93 -4.24 115.64 109.72 2gkl s THR 258 Ca -0.14 0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2gkl s THR 258 Cb 0.07 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 2gkl s THR 258 CO 0.78 0.09 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.95 2gkl s VAL 259 N 0.69 2.82 -0.38 3.82 1.01 -0.02 -0.75 120.40 127.59 2gkl s VAL 259 Ca -0.06 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 2gkl s VAL 259 Cb -0.09 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2gkl s VAL 259 CO -0.02 0.54 0.27 -0.63 0.00 0.00 0.00 175.10 175.26 2gkl s ILE 260 N 0.16 5.22 0.32 2.22 -1.09 0.07 -1.92 121.20 126.18 2gkl s ILE 260 Ca -0.09 -0.48 -0.28 0.00 -2.23 0.00 0.00 60.65 57.57 2gkl s ILE 260 Cb -0.15 -3.81 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 2gkl s ILE 260 CO 0.05 -0.17 1.15 -0.83 -1.23 0.00 0.00 174.94 173.91 2gkl s GLY 261 N 1.69 2.99 0.02 6.18 0.00 -0.34 -0.09 107.32 117.78 2gkl s GLY 261 Ca 0.05 0.97 0.27 0.00 0.00 0.00 0.00 44.72 46.02 2gkl s GLY 261 CO 0.10 1.56 1.88 0.61 0.00 0.00 0.00 173.10 177.25 2gkl n GLY 262 N 0.94 -1.47 3.33 0.20 0.00 -0.56 -4.53 105.19 103.11 2gkl n GLY 262 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2gkl n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gkl s HIS 263 N -3.01 0.95 0.00 1.61 3.76 -1.26 -0.79 115.29 116.54 2gkl s HIS 263 Ca 0.13 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 2gkl s HIS 263 Cb 0.18 -0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.55 2gkl s HIS 263 CO 0.51 -0.78 0.00 -0.25 -0.85 0.00 0.00 174.74 173.37 2gkl n ASP 264 N -0.42 -2.06 -4.68 1.40 8.00 -1.26 -4.33 116.55 113.21 2gkl n ASP 264 Ca 0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 2gkl n ASP 264 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 2gkl n ASP 264 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2gkl s SER 265 N -4.00 6.82 0.17 -2.24 0.01 -1.26 -4.89 113.70 108.32 2gkl s SER 265 Ca 0.00 2.09 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2gkl s SER 265 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2gkl s SER 265 CO 0.00 -0.76 1.60 1.55 0.41 0.00 0.00 173.24 176.04 2gkl h PRO 266 N 8.17 1.05 -6.10 12.44 0.13 -1.81 -3.42 132.00 142.46 2gkl h PRO 266 Ca -0.37 -0.38 -0.59 0.00 -0.87 0.00 0.00 66.00 63.79 2gkl h PRO 266 Cb 1.17 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 2gkl h PRO 266 CO 0.92 1.08 0.63 -0.51 -0.23 0.00 0.00 178.00 179.89 2gkl s LEU 267 N -9.23 3.99 0.16 1.56 1.43 -1.26 -1.19 118.68 114.13 2gkl s LEU 267 Ca -0.12 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2gkl s LEU 267 Cb 0.13 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 2gkl s LEU 267 CO 0.86 -0.83 0.14 -1.00 0.23 0.00 0.00 176.35 175.75 2gkl s HIS 289 N 3.44 0.82 0.42 0.29 3.76 -0.81 -5.02 115.29 118.20 2gkl s HIS 289 Ca 0.39 -1.16 -0.02 0.00 -0.15 0.00 0.00 55.06 54.13 2gkl s HIS 289 Cb -0.12 -0.39 0.09 0.00 1.11 0.00 0.00 32.58 33.27 2gkl s HIS 289 CO 0.17 -0.61 0.58 0.41 -0.85 0.00 0.00 174.74 174.44 2gkl n GLY 290 N -0.17 0.36 0.32 -2.22 0.00 -1.26 -0.84 105.19 101.38 2gkl n GLY 290 Ca -0.04 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.23 2gkl n GLY 290 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gkl h PRO 291 N 0.00 0.00 0.00 1.61 0.13 -1.81 -2.42 132.00 129.52 2gkl h PRO 291 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2gkl h PRO 291 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2gkl h PRO 291 CO 0.19 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.11 2gkl n GLU 292 N -3.41 0.16 0.00 0.86 0.00 -1.26 -1.96 120.64 115.03 2gkl n GLU 292 Ca -0.03 0.52 0.12 0.00 0.00 0.00 0.00 57.16 57.77 2gkl n GLU 292 Cb 0.11 -1.89 0.55 0.00 0.00 0.00 0.00 31.44 30.21 2gkl n GLU 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2gkl h LEU 293 N 0.00 0.24 0.04 -1.84 5.85 -1.81 0.23 115.31 118.02 2gkl h LEU 293 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gkl h LEU 293 Cb 0.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2gkl h LEU 293 CO 0.00 0.15 -0.02 0.40 -0.34 0.00 0.00 178.44 178.63 2gkl h ILE 294 N 0.27 0.98 -0.70 4.05 2.04 -1.64 -1.27 117.51 121.24 2gkl h ILE 294 Ca 0.21 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2gkl h ILE 294 Cb 0.48 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2gkl h ILE 294 CO -0.04 0.02 0.22 0.44 0.00 0.00 0.00 178.15 178.78 2gkl h ASP 295 N -0.08 1.02 0.06 1.72 3.32 -1.49 -0.83 116.42 120.13 2gkl h ASP 295 Ca -0.01 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.86 2gkl h ASP 295 Cb 0.06 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2gkl h ASP 295 CO 0.01 0.95 -0.39 -0.74 -1.72 0.00 0.00 179.24 177.35 2gkl h HIS 296 N 1.03 -1.08 -0.40 4.55 2.76 -0.44 -1.29 115.15 120.27 2gkl h HIS 296 Ca 0.23 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 2gkl h HIS 296 Cb 0.30 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2gkl h HIS 296 CO 0.02 -0.48 -0.20 -0.92 -1.30 0.00 0.00 177.93 175.05 2gkl h TYR 297 N -0.58 0.89 -0.57 5.26 5.03 -1.09 -2.47 116.97 123.44 2gkl h TYR 297 Ca 0.04 -0.20 0.07 0.00 2.58 0.00 0.00 58.73 61.22 2gkl h TYR 297 Cb 0.64 -0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.64 2gkl h TYR 297 CO -0.37 0.93 0.24 1.49 -1.32 0.00 0.00 178.16 179.13 2gkl h GLU 298 N 0.69 0.44 -0.52 1.82 4.81 -1.00 0.31 114.58 121.14 2gkl h GLU 298 Ca 0.10 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2gkl h GLU 298 Cb 0.72 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2gkl h GLU 298 CO 0.06 0.29 0.15 0.00 -0.73 0.00 0.00 179.01 178.78 2gkl h ALA 299 N 1.36 0.68 -0.17 2.92 0.00 -1.08 -1.87 119.26 121.09 2gkl h ALA 299 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2gkl h ALA 299 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gkl h ALA 299 CO -0.24 0.35 0.06 -0.07 0.00 0.00 0.00 179.25 179.35 2gkl h LEU 300 N 0.71 0.07 -0.88 0.00 3.38 -0.88 -2.62 115.31 115.09 2gkl h LEU 300 Ca 0.17 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2gkl h LEU 300 Cb 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gkl h LEU 300 CO -0.00 0.06 -0.38 -0.29 0.09 0.00 0.00 178.44 177.92 2gkl h ILE 301 N 0.14 0.87 0.00 1.22 6.09 -0.88 -2.33 117.51 122.62 2gkl h ILE 301 Ca 0.07 -1.55 -0.03 0.00 -1.37 0.00 0.00 64.86 61.98 2gkl h ILE 301 Cb 0.04 1.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.28 2gkl h ILE 301 CO -0.08 0.37 -0.16 0.11 -3.07 0.00 0.00 178.15 175.33 2gkl h LYS 302 N 0.00 0.00 -0.00 2.19 1.57 -1.17 -2.76 116.57 116.40 2gkl h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gkl h LYS 302 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2gkl h LYS 302 CO 0.05 0.16 -0.42 0.00 -0.57 0.00 0.00 179.45 178.67 2gkl n ALA 303 N -2.17 3.40 -1.39 3.86 0.00 -0.91 -4.99 120.51 118.32 2gkl n ALA 303 Ca 0.01 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2gkl n ALA 303 Cb 0.44 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.85 2gkl n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gkl s ALA 304 N -2.81 2.42 0.00 0.00 0.00 -1.02 -5.11 121.76 115.24 2gkl s ALA 304 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2gkl s ALA 304 Cb 0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2gkl s ALA 304 CO 0.64 -1.53 0.00 -3.68 0.00 0.00 0.00 175.76 171.18