#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkz s VAL 10 N 0.00 -0.51 -0.01 3.84 0.11 -1.26 0.11 120.40 122.68 3gkz s VAL 10 Ca 0.00 0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.22 3gkz s VAL 10 Cb 0.00 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3gkz s VAL 10 CO 0.00 -0.01 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.45 3gkz s GLN 11 N 2.48 2.16 0.05 1.54 -0.21 0.97 -4.94 119.66 121.72 3gkz s GLN 11 Ca 0.04 -0.90 0.08 0.00 0.02 0.00 0.00 55.36 54.60 3gkz s GLN 11 Cb -0.13 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 3gkz s GLN 11 CO -0.12 0.57 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.89 3gkz s LEU 12 N -0.86 2.17 -0.11 2.90 1.43 -1.26 -0.85 118.68 122.10 3gkz s LEU 12 Ca 0.11 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3gkz s LEU 12 Cb -0.10 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.15 3gkz s LEU 12 CO 0.01 0.17 0.19 0.00 0.23 0.00 0.00 176.35 176.95 3gkz s GLN 13 N -1.23 0.07 0.27 1.70 -2.07 -0.76 -3.96 119.66 113.68 3gkz s GLN 13 Ca 0.08 0.54 -0.12 0.00 -1.82 0.00 0.00 55.36 54.04 3gkz s GLN 13 Cb -0.09 -0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 31.37 3gkz s GLN 13 CO 0.02 -0.35 0.63 -1.21 -1.32 0.00 0.00 175.29 173.06 3gkz s GLU 14 N 2.32 3.89 -0.03 9.60 8.01 -1.26 -0.99 118.70 140.25 3gkz s GLU 14 Ca 0.03 0.45 -0.21 0.00 0.01 0.00 0.00 54.97 55.25 3gkz s GLU 14 Cb -0.13 -2.56 0.04 0.00 -4.31 0.00 0.00 34.13 27.18 3gkz s GLU 14 CO -0.07 0.25 0.46 -1.54 0.01 0.00 0.00 175.26 174.37 3gkz s SER 15 N -2.31 -0.38 0.00 -0.19 1.04 0.66 -4.81 113.70 107.72 3gkz s SER 15 Ca 0.50 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.26 3gkz s SER 15 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3gkz s SER 15 CO 0.19 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3gkz n GLY 16 N 1.11 0.80 3.69 7.32 0.00 -1.26 -0.53 105.19 116.32 3gkz n GLY 16 Ca -0.21 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 3gkz n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gkz n PRO 17 N -1.21 1.64 0.00 1.61 -0.02 -1.26 -4.92 135.00 130.84 3gkz n PRO 17 Ca 0.00 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3gkz n PRO 17 Cb 0.00 -2.38 0.15 0.00 -0.02 0.00 0.00 33.50 31.25 3gkz n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gkz n SER 18 N -0.32 1.11 -3.84 2.55 3.41 -1.26 -4.72 113.62 110.55 3gkz n SER 18 Ca 0.09 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.69 3gkz n SER 18 Cb 0.42 0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 64.66 3gkz n SER 18 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gkz s LEU 19 N -2.73 1.71 -0.04 1.04 2.96 -1.26 -1.10 118.68 119.26 3gkz s LEU 19 Ca 0.16 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3gkz s LEU 19 Cb 0.18 0.13 0.01 0.00 0.50 0.00 0.00 46.19 47.01 3gkz s LEU 19 CO 0.65 -0.03 0.11 -0.69 -1.32 0.00 0.00 176.35 175.07 3gkz s VAL 20 N 0.18 0.02 0.34 1.68 1.01 -0.39 -4.94 120.40 118.29 3gkz s VAL 20 Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3gkz s VAL 20 Cb -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 3gkz s VAL 20 CO -0.01 -0.07 0.78 -0.54 0.00 0.00 0.00 175.10 175.26 3gkz s LYS 21 N -0.20 4.07 0.60 2.72 1.02 -1.26 0.12 119.74 126.81 3gkz s LYS 21 Ca -0.03 0.78 -0.18 0.00 0.02 0.00 0.00 55.97 56.56 3gkz s LYS 21 Cb -0.02 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3gkz s LYS 21 CO 0.00 0.14 0.87 -2.30 -0.92 0.00 0.00 175.35 173.14 3gkz n PRO 22 N -0.33 0.79 0.00 -1.68 -0.02 -1.26 -1.51 135.00 130.99 3gkz n PRO 22 Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3gkz n PRO 22 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3gkz n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3gkz n SER 23 N -0.54 0.00 -4.84 2.55 7.64 -0.02 -4.91 113.62 113.50 3gkz n SER 23 Ca 0.13 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 3gkz n SER 23 Cb 0.47 -0.36 0.11 0.00 -1.01 0.00 0.00 64.21 63.42 3gkz n SER 23 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gkz s GLN 24 N 0.00 1.62 -0.15 1.43 0.74 -0.57 -3.99 119.66 118.74 3gkz s GLN 24 Ca 0.00 0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.59 3gkz s GLN 24 Cb 0.00 -1.90 -0.04 0.00 1.10 0.00 0.00 33.01 32.17 3gkz s GLN 24 CO 0.00 -1.86 0.10 0.99 -0.55 0.00 0.00 175.29 173.97 3gkz s THR 25 N -3.39 5.19 -0.19 -0.34 2.01 -1.26 -2.01 115.64 115.65 3gkz s THR 25 Ca 0.63 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 3gkz s THR 25 Cb -0.13 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3gkz s THR 25 CO 0.52 0.54 0.25 -0.22 -0.69 0.00 0.00 174.62 175.02 3gkz s LEU 26 N -0.39 4.20 -0.10 4.42 0.20 0.14 -4.94 118.68 122.21 3gkz s LEU 26 Ca 0.11 0.38 -0.00 0.00 0.69 0.00 0.00 54.13 55.31 3gkz s LEU 26 Cb -0.12 -2.29 0.02 0.00 -0.43 0.00 0.00 46.19 43.38 3gkz s LEU 26 CO 0.01 0.08 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.64 3gkz s SER 27 N 0.63 2.09 0.15 3.68 0.01 -1.26 -0.36 113.70 118.64 3gkz s SER 27 Ca 0.14 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.19 3gkz s SER 27 Cb -0.13 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 3gkz s SER 27 CO 0.03 -0.10 -0.19 -0.76 0.41 0.00 0.00 173.24 172.63 3gkz s LEU 28 N 1.59 2.40 0.02 2.44 1.43 -0.31 -4.46 118.68 121.79 3gkz s LEU 28 Ca 0.03 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3gkz s LEU 28 Cb -0.13 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 3gkz s LEU 28 CO -0.07 -0.01 -0.20 -0.89 0.23 0.00 0.00 176.35 175.41 3gkz s THR 29 N -1.81 1.63 -0.23 5.49 2.01 0.31 -1.60 115.64 121.44 3gkz s THR 29 Ca 0.13 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.11 3gkz s THR 29 Cb -0.07 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 71.10 3gkz s THR 29 CO 0.06 0.32 -0.13 0.00 -0.69 0.00 0.00 174.62 174.17 3gkz s SER 31 N 1.20 6.34 -0.13 0.00 0.01 -0.16 -1.18 113.70 119.79 3gkz s SER 31 Ca -0.04 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.56 3gkz s SER 31 Cb -0.18 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3gkz s SER 31 CO -0.08 -0.16 0.09 0.68 0.41 0.00 0.00 173.24 174.19 3gkz s VAL 32 N 1.84 5.11 0.06 3.43 -7.23 -0.16 -1.83 120.40 121.63 3gkz s VAL 32 Ca 0.17 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 3gkz s VAL 32 Cb -0.15 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 3gkz s VAL 32 CO 0.09 0.58 -0.04 0.42 -0.31 0.00 0.00 175.10 175.84 3gkz s THR 33 N -0.68 0.38 -0.24 5.32 -4.23 -0.03 -4.84 115.64 111.32 3gkz s THR 33 Ca 0.12 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3gkz s THR 33 Cb -0.12 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.24 3gkz s THR 33 CO 0.03 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.80 3gkz n GLY 34 N 0.17 0.31 3.67 3.99 0.00 -1.26 -0.02 105.19 112.06 3gkz n GLY 34 Ca -0.14 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.25 3gkz n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gkz n ASP 35 N 0.12 0.91 -4.47 1.61 8.00 0.29 -4.94 116.55 118.07 3gkz n ASP 35 Ca 0.00 0.61 -0.29 0.00 0.71 0.00 0.00 54.79 55.82 3gkz n ASP 35 Cb 0.00 -1.49 0.25 0.00 -0.02 0.00 0.00 41.12 39.87 3gkz n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gkz n SER 36 N -2.89 -1.69 -3.99 -2.24 3.41 -1.26 -4.86 113.62 100.10 3gkz n SER 36 Ca 0.13 -0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 3gkz n SER 36 Cb 0.50 -1.26 -0.14 0.00 -0.26 0.00 0.00 64.21 63.06 3gkz n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gkz s VAL 37 N -2.41 0.49 -0.32 -3.33 1.01 -1.26 -5.04 120.40 109.55 3gkz s VAL 37 Ca 0.68 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3gkz s VAL 37 Cb -0.25 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.75 3gkz s VAL 37 CO 0.65 0.02 0.95 0.35 0.00 0.00 0.00 175.10 177.07 3gkz n THR 38 N 2.61 0.72 -3.97 3.92 -2.24 -1.26 -5.07 114.28 109.00 3gkz n THR 38 Ca -0.15 -0.86 0.02 0.00 -2.27 0.00 0.00 64.05 60.78 3gkz n THR 38 Cb 0.57 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3gkz n THR 38 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gkz n SER 39 N -0.09 -0.46 0.00 3.42 3.41 -1.26 -5.07 113.62 113.57 3gkz n SER 39 Ca 0.03 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3gkz n SER 39 Cb 0.24 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 3gkz n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkz n GLY 40 N -0.40 0.65 3.02 5.00 0.00 -1.26 -4.80 105.19 107.39 3gkz n GLY 40 Ca 0.02 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 3gkz n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gkz s TYR 41 N -1.00 0.59 -0.25 1.61 1.51 0.76 -0.90 117.35 119.67 3gkz s TYR 41 Ca 0.00 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3gkz s TYR 41 Cb 0.00 -0.36 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3gkz s TYR 41 CO 0.00 -0.05 -0.03 -1.58 -1.11 0.00 0.00 175.55 172.78 3gkz s TRP 42 N -0.84 3.06 0.18 2.71 0.51 -0.23 -1.48 118.94 122.86 3gkz s TRP 42 Ca -0.05 -1.33 0.08 0.00 -2.12 0.00 0.00 56.10 52.68 3gkz s TRP 42 Cb -0.07 -2.10 -0.04 0.00 -0.81 0.00 0.00 33.47 30.45 3gkz s TRP 42 CO 0.00 -0.67 -0.01 -1.12 -0.51 0.00 0.00 176.95 174.65 3gkz s SER 43 N 1.39 4.72 -0.18 2.95 0.01 0.52 -1.47 113.70 121.63 3gkz s SER 43 Ca 0.02 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 3gkz s SER 43 Cb -0.16 -0.98 -0.00 0.00 0.21 0.00 0.00 66.02 65.08 3gkz s SER 43 CO -0.03 0.08 -0.11 0.26 0.41 0.00 0.00 173.24 173.85 3gkz s TRP 44 N -1.78 2.86 -0.04 2.43 0.52 -0.48 -0.57 118.94 121.87 3gkz s TRP 44 Ca 0.28 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.40 3gkz s TRP 44 Cb -0.09 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3gkz s TRP 44 CO 0.18 -0.50 -0.12 0.42 0.02 0.00 0.00 176.95 176.95 3gkz s ILE 45 N 1.05 1.07 0.20 2.03 1.01 0.39 -1.29 121.20 125.65 3gkz s ILE 45 Ca -0.00 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.26 3gkz s ILE 45 Cb -0.15 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3gkz s ILE 45 CO -0.02 0.33 -0.19 0.00 0.00 0.00 0.00 174.94 175.05 3gkz s ARG 46 N 0.32 1.71 -0.16 2.79 1.70 -0.49 -0.09 118.95 124.73 3gkz s ARG 46 Ca -0.07 -1.48 -0.00 0.00 -0.47 0.00 0.00 55.73 53.71 3gkz s ARG 46 Cb -0.12 -1.94 0.04 0.00 -0.57 0.00 0.00 34.95 32.36 3gkz s ARG 46 CO 0.02 0.40 -0.08 -1.14 -1.08 0.00 0.00 175.30 173.42 3gkz s GLN 47 N -2.84 1.73 0.75 3.89 0.74 -0.08 0.36 119.66 124.22 3gkz s GLN 47 Ca 0.23 -0.55 -0.11 0.00 0.05 0.00 0.00 55.36 54.98 3gkz s GLN 47 Cb -0.08 -2.04 0.04 0.00 1.10 0.00 0.00 33.01 32.03 3gkz s GLN 47 CO 0.12 -0.37 1.10 -0.06 -0.55 0.00 0.00 175.29 175.53 3gkz s PHE 48 N 1.57 3.08 0.24 1.67 0.40 -0.13 -1.54 117.98 123.27 3gkz s PHE 48 Ca 0.02 1.09 -0.30 0.00 -0.60 0.00 0.00 56.93 57.13 3gkz s PHE 48 Cb -0.15 -3.11 -0.10 0.00 0.51 0.00 0.00 43.02 40.17 3gkz s PHE 48 CO -0.08 -1.48 1.50 -1.25 0.70 0.00 0.00 175.22 174.61 3gkz s PRO 49 N -5.27 4.23 0.00 0.24 0.04 -1.26 -0.60 135.00 132.38 3gkz s PRO 49 Ca 0.59 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3gkz s PRO 49 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3gkz s PRO 49 CO 0.53 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.48 3gkz n GLY 50 N 2.52 1.31 2.01 0.56 0.00 -1.26 -4.64 105.19 105.68 3gkz n GLY 50 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gkz n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gkz n ASN 51 N 0.00 -3.02 -4.70 1.61 3.02 0.23 -5.03 115.26 107.37 3gkz n ASN 51 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3gkz n ASN 51 Cb 0.00 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 3gkz n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gkz s LYS 52 N -0.55 4.34 0.02 3.52 2.47 -1.23 -4.78 119.74 123.53 3gkz s LYS 52 Ca 0.00 1.84 -0.17 0.00 -1.56 0.00 0.00 55.97 56.08 3gkz s LYS 52 Cb 0.00 -3.49 -0.06 0.00 -1.46 0.00 0.00 37.83 32.82 3gkz s LYS 52 CO 0.00 -0.45 0.47 -0.51 0.16 0.00 0.00 175.35 175.02 3gkz s LEU 53 N 1.94 4.49 -0.12 5.43 1.43 -1.26 -0.96 118.68 129.62 3gkz s LEU 53 Ca 0.60 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3gkz s LEU 53 Cb -0.29 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3gkz s LEU 53 CO 0.26 0.29 -0.09 -0.62 0.23 0.00 0.00 176.35 176.43 3gkz s ASP 54 N -1.02 2.28 -0.33 2.29 3.68 0.16 -4.47 116.67 119.26 3gkz s ASP 54 Ca 0.26 -0.34 -0.28 0.00 2.13 0.00 0.00 52.55 54.32 3gkz s ASP 54 Cb -0.18 -0.90 0.01 0.00 -1.45 0.00 0.00 42.92 40.41 3gkz s ASP 54 CO 0.15 -0.11 1.01 -0.47 0.13 0.00 0.00 175.17 175.88 3gkz s TYR 55 N 1.67 3.13 -0.08 -5.34 5.04 -1.26 -1.39 117.35 119.11 3gkz s TYR 55 Ca 0.05 1.03 -0.14 0.00 -2.44 0.00 0.00 57.07 55.57 3gkz s TYR 55 Cb -0.13 -3.65 -0.29 0.00 0.35 0.00 0.00 41.96 38.25 3gkz s TYR 55 CO -0.09 -0.77 0.60 0.52 -1.34 0.00 0.00 175.55 174.48 3gkz h MET 56 N 8.22 0.30 0.00 4.97 2.86 -1.57 -3.42 114.93 126.30 3gkz h MET 56 Ca -0.22 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 3gkz h MET 56 Cb 1.07 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3gkz h MET 56 CO 1.01 1.25 0.00 0.41 1.06 0.00 0.00 176.91 180.63 3gkz n GLY 57 N 1.79 -1.34 3.52 8.32 0.00 -1.19 -0.93 105.19 115.36 3gkz n GLY 57 Ca -0.25 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3gkz n GLY 57 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gkz s TYR 58 N -2.36 0.32 -0.05 1.61 -0.85 -0.19 -1.38 117.35 114.45 3gkz s TYR 58 Ca 0.00 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 3gkz s TYR 58 Cb 0.00 0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.51 3gkz s TYR 58 CO 0.00 -0.92 -0.06 -1.50 -1.52 0.00 0.00 175.55 171.54 3gkz s ILE 59 N -3.99 0.70 0.81 -3.49 2.07 -0.54 -1.80 121.20 114.95 3gkz s ILE 59 Ca 0.20 -0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.18 3gkz s ILE 59 Cb 0.00 -0.70 0.16 0.00 0.13 0.00 0.00 42.46 42.06 3gkz s ILE 59 CO 0.06 0.26 1.12 -0.94 -1.91 0.00 0.00 174.94 173.53 3gkz s SER 60 N 0.91 3.83 0.56 4.50 1.04 0.76 -1.06 113.70 124.23 3gkz s SER 60 Ca -0.11 -0.25 0.24 0.00 0.48 0.00 0.00 55.95 56.31 3gkz s SER 60 Cb -0.15 0.04 1.53 0.00 0.10 0.00 0.00 66.02 67.54 3gkz s SER 60 CO 0.01 -2.22 2.15 0.22 0.98 0.00 0.00 173.24 174.37 3gkz h TYR 61 N -0.93 0.00 -0.51 5.02 3.20 -1.33 -0.02 116.97 122.40 3gkz h TYR 61 Ca -0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3gkz h TYR 61 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3gkz h TYR 61 CO -0.60 0.00 0.00 0.54 -1.64 0.00 0.00 178.16 176.46 3gkz n ARG 62 N -4.16 4.39 -1.03 1.82 1.74 -1.26 -4.94 116.66 113.22 3gkz n ARG 62 Ca -0.00 -3.08 -0.01 0.00 -0.77 0.00 0.00 57.85 53.99 3gkz n ARG 62 Cb 0.21 -2.15 -0.01 0.00 -1.02 0.00 0.00 32.46 29.50 3gkz n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gkz n GLY 63 N 0.39 0.36 3.74 -0.13 0.00 -0.02 -4.98 105.19 104.54 3gkz n GLY 63 Ca 0.26 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3gkz n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkz s SER 64 N -2.10 7.29 0.20 1.61 0.01 -1.26 -4.68 113.70 114.77 3gkz s SER 64 Ca 0.00 2.10 0.11 0.00 1.31 0.00 0.00 55.95 59.46 3gkz s SER 64 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3gkz s SER 64 CO 0.00 -0.19 -0.20 0.42 0.41 0.00 0.00 173.24 173.68 3gkz s THR 65 N -0.38 2.59 -0.03 1.44 -4.23 -1.26 -0.17 115.64 113.60 3gkz s THR 65 Ca 0.48 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3gkz s THR 65 Cb -0.29 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.31 3gkz s THR 65 CO 0.35 -0.15 0.05 -0.47 -0.54 0.00 0.00 174.62 173.86 3gkz s TYR 66 N -1.79 0.00 -0.03 3.99 5.04 -0.75 -4.97 117.35 118.84 3gkz s TYR 66 Ca 0.23 0.18 0.07 0.00 -2.44 0.00 0.00 57.07 55.11 3gkz s TYR 66 Cb -0.08 -0.21 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 3gkz s TYR 66 CO 0.12 -0.10 -0.23 0.71 -1.34 0.00 0.00 175.55 174.71 3gkz s TYR 67 N 1.08 2.10 0.15 4.97 4.12 -1.26 -1.03 117.35 127.48 3gkz s TYR 67 Ca -0.09 -0.46 -0.31 0.00 0.02 0.00 0.00 57.07 56.23 3gkz s TYR 67 Cb -0.13 -1.36 -0.11 0.00 -1.52 0.00 0.00 41.96 38.84 3gkz s TYR 67 CO -0.03 -0.08 1.79 1.21 0.02 0.00 0.00 175.55 178.46 3gkz s ASN 68 N -0.42 6.41 0.42 2.29 3.84 -0.11 -4.74 114.94 122.63 3gkz s ASN 68 Ca 0.06 2.79 0.24 0.00 0.21 0.00 0.00 52.86 56.16 3gkz s ASN 68 Cb -0.10 -2.58 1.26 0.00 -0.55 0.00 0.00 41.25 39.28 3gkz s ASN 68 CO 0.00 -0.99 1.71 -0.65 -2.79 0.00 0.00 177.10 174.38 3gkz h PRO 69 N 8.00 0.24 0.00 0.43 0.11 -1.91 0.22 132.00 139.09 3gkz h PRO 69 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gkz h PRO 69 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gkz h PRO 69 CO 0.95 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.77 3gkz n SER 70 N -4.63 0.00 0.00 -2.05 3.41 -1.26 -2.89 113.62 106.20 3gkz n SER 70 Ca 0.30 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3gkz n SER 70 Cb 1.13 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3gkz n SER 70 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gkz n LEU 71 N -1.49 0.00 0.00 1.04 4.32 0.68 -4.76 117.00 116.79 3gkz n LEU 71 Ca 0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3gkz n LEU 71 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 3gkz n LEU 71 CO 0.10 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.44 3gkz n LYS 72 N -1.29 0.00 0.26 3.23 4.81 -0.57 0.82 118.16 125.42 3gkz n LYS 72 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3gkz n LYS 72 Cb 0.00 0.00 0.61 0.00 0.02 0.00 0.00 35.03 35.66 3gkz n LYS 72 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gkz h SER 73 N 0.00 0.00 0.27 3.14 4.64 -1.85 -3.26 113.55 116.49 3gkz h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gkz h SER 73 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gkz h SER 73 CO 0.00 0.05 -1.56 0.54 -0.87 0.00 0.00 176.83 174.99 3gkz n ARG 74 N -3.16 0.53 -4.06 4.77 1.74 0.24 -4.95 116.66 111.77 3gkz n ARG 74 Ca 0.01 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.71 3gkz n ARG 74 Cb 0.34 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3gkz n ARG 74 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3gkz s ILE 75 N -3.39 4.48 -0.15 0.55 2.07 -0.87 -0.60 121.20 123.29 3gkz s ILE 75 Ca -0.03 -0.86 -0.08 0.00 -1.41 0.00 0.00 60.65 58.27 3gkz s ILE 75 Cb 0.13 -3.19 0.05 0.00 0.13 0.00 0.00 42.46 39.59 3gkz s ILE 75 CO 0.87 0.07 0.35 -0.94 -1.91 0.00 0.00 174.94 173.37 3gkz s SER 76 N -2.56 -0.42 -0.16 4.50 1.04 -0.39 -4.91 113.70 110.79 3gkz s SER 76 Ca 0.29 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.49 3gkz s SER 76 Cb -0.12 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.65 3gkz s SER 76 CO 0.22 -0.18 -0.20 -0.63 0.98 0.00 0.00 173.24 173.42 3gkz s ILE 77 N 1.34 2.11 0.39 -1.02 1.01 -1.26 -1.12 121.20 122.65 3gkz s ILE 77 Ca -0.09 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3gkz s ILE 77 Cb -0.09 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3gkz s ILE 77 CO -0.11 0.54 0.07 0.42 0.00 0.00 0.00 174.94 175.86 3gkz s THR 78 N 1.08 1.06 0.04 2.92 -4.23 -0.96 -4.90 115.64 110.65 3gkz s THR 78 Ca -0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3gkz s THR 78 Cb -0.14 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3gkz s THR 78 CO -0.08 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 173.93 3gkz s ARG 79 N -3.81 0.49 -0.48 3.99 1.70 -1.26 -0.31 118.95 119.26 3gkz s ARG 79 Ca 0.28 -0.70 0.03 0.00 -0.47 0.00 0.00 55.73 54.87 3gkz s ARG 79 Cb 0.06 -0.24 0.16 0.00 -0.57 0.00 0.00 34.95 34.36 3gkz s ARG 79 CO 0.14 0.04 0.35 0.34 -1.08 0.00 0.00 175.30 175.08 3gkz s ASP 80 N -1.47 2.83 0.30 -2.89 -1.08 -0.59 -4.99 116.67 108.77 3gkz s ASP 80 Ca -0.10 -3.09 0.02 0.00 -0.52 0.00 0.00 52.55 48.86 3gkz s ASP 80 Cb -0.09 -0.84 0.56 0.00 -1.46 0.00 0.00 42.92 41.09 3gkz s ASP 80 CO 0.00 -0.18 1.87 0.71 0.52 0.00 0.00 175.17 178.09 3gkz h THR 81 N 4.73 0.98 -0.77 1.71 1.35 -1.96 -1.96 112.91 116.99 3gkz h THR 81 Ca 0.16 -0.34 0.17 0.00 -0.55 0.00 0.00 66.41 65.85 3gkz h THR 81 Cb 0.88 -0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.16 3gkz h THR 81 CO 0.47 0.18 0.52 0.77 -0.25 0.00 0.00 175.52 177.21 3gkz h SER 82 N 0.99 0.32 -0.21 5.36 4.64 -1.95 -0.71 113.55 122.00 3gkz h SER 82 Ca 0.44 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.76 3gkz h SER 82 Cb 0.37 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3gkz h SER 82 CO -0.20 0.15 -0.02 2.29 -0.87 0.00 0.00 176.83 178.18 3gkz n LYS 83 N -4.46 2.34 -4.05 4.77 2.85 -0.79 -5.00 118.16 113.82 3gkz n LYS 83 Ca 0.15 -2.84 -0.38 0.00 -1.05 0.00 0.00 58.31 54.19 3gkz n LYS 83 Cb 0.61 -1.76 -0.01 0.00 -0.65 0.00 0.00 35.03 33.22 3gkz n LYS 83 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gkz n ASN 84 N -0.84 -2.77 -4.14 -5.58 3.02 -0.27 -4.82 115.26 99.86 3gkz n ASN 84 Ca 0.22 -1.22 -0.13 0.00 -0.03 0.00 0.00 54.58 53.43 3gkz n ASN 84 Cb 0.85 -2.11 -0.11 0.00 -0.61 0.00 0.00 39.78 37.81 3gkz n ASN 84 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gkz s GLN 85 N -7.08 0.74 0.01 3.52 -0.21 -1.04 -0.99 119.66 114.60 3gkz s GLN 85 Ca 0.33 -1.09 0.06 0.00 0.02 0.00 0.00 55.36 54.68 3gkz s GLN 85 Cb -0.16 -0.34 -0.02 0.00 1.00 0.00 0.00 33.01 33.48 3gkz s GLN 85 CO 0.95 0.04 -0.18 0.08 -2.12 0.00 0.00 175.29 174.06 3gkz s VAL 86 N -2.50 1.43 0.23 1.09 1.01 -0.32 -1.55 120.40 119.79 3gkz s VAL 86 Ca 0.03 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.23 3gkz s VAL 86 Cb -0.02 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3gkz s VAL 86 CO -0.02 0.30 -0.21 -0.31 0.00 0.00 0.00 175.10 174.87 3gkz s TYR 87 N -0.56 2.33 -0.07 5.22 1.51 0.58 -0.62 117.35 125.73 3gkz s TYR 87 Ca 0.06 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3gkz s TYR 87 Cb -0.07 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3gkz s TYR 87 CO 0.00 0.58 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.78 3gkz s LEU 88 N -3.01 1.33 -0.11 -1.29 0.20 -0.63 -2.26 118.68 112.91 3gkz s LEU 88 Ca 0.25 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.85 3gkz s LEU 88 Cb -0.07 -0.68 0.02 0.00 -0.43 0.00 0.00 46.19 45.03 3gkz s LEU 88 CO 0.12 -0.05 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.42 3gkz s GLN 89 N 1.14 2.02 -0.19 1.98 0.74 -0.27 -1.17 119.66 123.91 3gkz s GLN 89 Ca -0.07 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3gkz s GLN 89 Cb -0.14 -1.79 0.05 0.00 1.10 0.00 0.00 33.01 32.22 3gkz s GLN 89 CO -0.01 -0.12 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.38 3gkz s LEU 90 N 1.15 2.00 0.58 3.68 2.96 0.52 -1.27 118.68 128.31 3gkz s LEU 90 Ca -0.04 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 52.96 3gkz s LEU 90 Cb -0.14 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.50 3gkz s LEU 90 CO -0.03 -0.19 0.89 -0.54 -1.32 0.00 0.00 176.35 175.16 3gkz s LYS 91 N 1.52 3.02 -1.29 1.98 1.02 0.23 0.25 119.74 126.47 3gkz s LYS 91 Ca -0.01 0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.84 3gkz s LYS 91 Cb -0.16 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3gkz s LYS 91 CO -0.08 -0.63 0.54 0.43 -0.92 0.00 0.00 175.35 174.69 3gkz n SER 92 N -2.55 -2.80 -4.79 2.83 7.64 -1.14 -4.88 113.62 107.94 3gkz n SER 92 Ca 0.04 -1.17 -0.33 0.00 1.01 0.00 0.00 58.87 58.42 3gkz n SER 92 Cb 0.57 -2.36 0.04 0.00 -1.01 0.00 0.00 64.21 61.44 3gkz n SER 92 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gkz s VAL 93 N -3.75 3.50 0.29 0.44 -7.23 -0.85 -4.62 120.40 108.18 3gkz s VAL 93 Ca 0.31 0.68 0.05 0.00 -1.81 0.00 0.00 61.98 61.21 3gkz s VAL 93 Cb -0.15 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 3gkz s VAL 93 CO 0.93 -0.45 0.23 -0.94 -0.31 0.00 0.00 175.10 174.56 3gkz s SER 94 N -2.76 1.26 0.54 4.85 1.04 -1.26 -0.84 113.70 116.52 3gkz s SER 94 Ca 0.65 -1.65 0.31 0.00 0.48 0.00 0.00 55.95 55.74 3gkz s SER 94 Cb -0.18 0.50 1.66 0.00 0.10 0.00 0.00 66.02 68.10 3gkz s SER 94 CO 0.41 -0.99 1.92 0.77 0.98 0.00 0.00 173.24 176.33 3gkz h SER 95 N 2.27 0.00 0.66 7.02 4.64 -1.83 0.17 113.55 126.48 3gkz h SER 95 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3gkz h SER 95 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gkz h SER 95 CO 0.42 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.76 3gkz n GLU 96 N -2.68 0.01 -0.17 4.77 1.02 -1.26 -2.59 120.64 119.74 3gkz n GLU 96 Ca -0.02 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 3gkz n GLU 96 Cb 0.19 -1.52 0.21 0.00 -0.02 0.00 0.00 31.44 30.31 3gkz n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gkz n ASP 97 N -1.54 3.40 -4.69 1.62 10.43 0.58 -4.92 116.55 121.44 3gkz n ASP 97 Ca 0.04 -1.99 -0.42 0.00 2.57 0.00 0.00 54.79 54.99 3gkz n ASP 97 Cb 0.22 -0.23 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3gkz n ASP 97 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3gkz s THR 98 N -1.55 3.48 -0.10 -3.53 2.01 -1.07 -4.84 115.64 110.05 3gkz s THR 98 Ca 0.38 0.87 -0.32 0.00 0.31 0.00 0.00 61.69 62.93 3gkz s THR 98 Cb 0.23 -3.56 0.12 0.00 0.01 0.00 0.00 72.50 69.30 3gkz s THR 98 CO 0.32 -0.01 1.41 0.00 -0.69 0.00 0.00 174.62 175.65 3gkz s ALA 99 N 2.61 -2.70 -0.23 7.40 0.00 0.12 -4.43 121.76 124.53 3gkz s ALA 99 Ca 0.68 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 3gkz s ALA 99 Cb -0.34 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3gkz s ALA 99 CO 0.28 -1.13 0.22 -0.08 0.00 0.00 0.00 175.76 175.05 3gkz s THR 100 N -2.00 5.33 -0.21 0.00 -1.32 -0.59 -0.38 115.64 116.46 3gkz s THR 100 Ca 0.25 0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.95 3gkz s THR 100 Cb 0.03 -3.55 -0.05 0.00 -1.51 0.00 0.00 72.50 67.42 3gkz s THR 100 CO -0.05 0.33 0.13 -0.31 -2.21 0.00 0.00 174.62 172.51 3gkz s TYR 101 N 1.04 3.34 0.02 9.09 1.51 0.90 -0.90 117.35 132.34 3gkz s TYR 101 Ca 0.10 0.22 0.08 0.00 -1.01 0.00 0.00 57.07 56.47 3gkz s TYR 101 Cb -0.14 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 3gkz s TYR 101 CO 0.05 0.17 -0.25 0.71 -1.11 0.00 0.00 175.55 175.11 3gkz s TYR 102 N 0.64 2.21 0.07 2.71 1.51 0.87 -1.04 117.35 124.33 3gkz s TYR 102 Ca 0.07 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3gkz s TYR 102 Cb -0.12 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3gkz s TYR 102 CO 0.01 0.05 -0.01 0.00 -1.11 0.00 0.00 175.55 174.48 3gkz s SER 104 N -2.14 0.09 -0.05 0.00 0.15 0.27 -1.39 113.70 110.63 3gkz s SER 104 Ca 0.24 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.59 3gkz s SER 104 Cb -0.12 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 3gkz s SER 104 CO 0.16 -0.45 -0.23 -0.47 1.20 0.00 0.00 173.24 173.45 3gkz s TYR 105 N -2.01 2.47 -0.04 3.44 5.04 0.19 -0.36 117.35 126.08 3gkz s TYR 105 Ca -0.10 -0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 53.95 3gkz s TYR 105 Cb -0.04 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.69 3gkz s TYR 105 CO -0.01 -0.10 0.10 0.12 -1.34 0.00 0.00 175.55 174.31 3gkz s PHE 106 N -0.35 -0.11 -0.29 4.97 5.36 -0.55 -1.71 117.98 125.30 3gkz s PHE 106 Ca 0.02 0.28 -0.01 0.00 -0.96 0.00 0.00 56.93 56.27 3gkz s PHE 106 Cb -0.12 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.63 3gkz s PHE 106 CO 0.02 -0.06 -0.03 0.34 -1.46 0.00 0.00 175.22 174.03 3gkz s ASP 107 N 0.14 4.73 0.31 6.13 -1.08 -1.26 -0.17 116.67 125.47 3gkz s ASP 107 Ca -0.01 -1.26 0.20 0.00 -0.52 0.00 0.00 52.55 50.96 3gkz s ASP 107 Cb -0.02 -1.67 1.07 0.00 -1.46 0.00 0.00 42.92 40.85 3gkz s ASP 107 CO -0.00 -0.23 1.59 -1.54 0.52 0.00 0.00 175.17 175.51 3gkz n SER 108 N 4.58 0.51 0.11 -0.34 3.41 -1.26 0.08 113.62 120.71 3gkz n SER 108 Ca -0.14 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3gkz n SER 108 Cb 0.43 -0.78 0.43 0.00 -0.26 0.00 0.00 64.21 64.04 3gkz n SER 108 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gkz n ASP 109 N -2.20 0.76 -3.46 4.04 8.00 -1.26 -4.33 116.55 118.10 3gkz n ASP 109 Ca -0.01 0.60 -0.29 0.00 0.71 0.00 0.00 54.79 55.80 3gkz n ASP 109 Cb 0.07 -0.80 -0.12 0.00 -0.02 0.00 0.00 41.12 40.26 3gkz n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gkz s ASP 110 N -4.43 2.66 0.54 -2.24 2.15 0.11 -5.00 116.67 110.47 3gkz s ASP 110 Ca 0.09 -2.43 0.22 0.00 0.43 0.00 0.00 52.55 50.86 3gkz s ASP 110 Cb 0.11 -0.45 1.44 0.00 -0.30 0.00 0.00 42.92 43.72 3gkz s ASP 110 CO 0.53 -0.27 2.12 1.88 -0.17 0.00 0.00 175.17 179.26 3gkz h TYR 111 N 6.67 0.00 0.00 -5.34 -1.99 -1.75 -3.08 116.97 111.47 3gkz h TYR 111 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3gkz h TYR 111 Cb 0.95 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.68 3gkz h TYR 111 CO 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.56 3gkz n ALA 112 N -2.50 1.64 -2.75 3.88 0.00 -1.26 -4.80 120.51 114.73 3gkz n ALA 112 Ca 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 3gkz n ALA 112 Cb 0.25 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 3gkz n ALA 112 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gkz s MET 113 N -2.96 0.68 -0.18 0.00 -1.94 -1.16 -4.57 119.30 109.17 3gkz s MET 113 Ca 0.07 -0.63 -0.14 0.00 -1.71 0.00 0.00 55.69 53.29 3gkz s MET 113 Cb 0.09 -0.60 0.05 0.00 2.01 0.00 0.00 34.83 36.38 3gkz s MET 113 CO 0.25 0.14 0.45 -2.00 -0.01 0.00 0.00 175.02 173.85 3gkz s GLU 114 N -1.05 0.49 -0.09 2.03 2.12 -1.26 -4.54 118.70 116.39 3gkz s GLU 114 Ca -0.02 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.05 3gkz s GLU 114 Cb -0.07 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 3gkz s GLU 114 CO 0.01 -0.10 -0.14 0.71 -0.54 0.00 0.00 175.26 175.19 3gkz s TYR 115 N 0.72 2.74 0.10 5.30 1.51 -0.70 -4.73 117.35 122.31 3gkz s TYR 115 Ca -0.04 -0.42 0.10 0.00 -1.01 0.00 0.00 57.07 55.70 3gkz s TYR 115 Cb -0.05 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3gkz s TYR 115 CO -0.05 -0.03 -0.26 -1.58 -1.11 0.00 0.00 175.55 172.52 3gkz s TRP 116 N -0.18 2.25 0.69 2.71 0.52 -1.26 -0.64 118.94 123.03 3gkz s TRP 116 Ca -0.00 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.61 3gkz s TRP 116 Cb -0.13 -1.25 0.16 0.00 -1.15 0.00 0.00 33.47 31.09 3gkz s TRP 116 CO 0.03 0.27 0.94 0.41 0.02 0.00 0.00 176.95 178.62 3gkz n GLY 117 N 1.16 -1.41 0.21 0.98 0.00 -0.48 -4.67 105.19 100.99 3gkz n GLY 117 Ca -0.18 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.25 3gkz n GLY 117 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gkz h GLN 118 N 0.00 0.00 0.00 1.61 4.15 -1.90 -3.44 115.11 115.53 3gkz h GLN 118 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3gkz h GLN 118 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3gkz h GLN 118 CO 0.21 0.19 0.00 0.41 -1.93 0.00 0.00 178.83 177.71 3gkz n GLY 119 N 0.63 -1.53 2.90 2.39 0.00 -1.26 -4.58 105.19 103.74 3gkz n GLY 119 Ca 0.02 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 3gkz n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gkz s THR 120 N -3.08 0.47 0.30 2.61 -1.32 -0.20 -4.87 115.64 109.55 3gkz s THR 120 Ca 0.00 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 3gkz s THR 120 Cb 0.00 -0.49 -0.10 0.00 -1.51 0.00 0.00 72.50 70.41 3gkz s THR 120 CO 0.00 0.19 0.91 -0.94 -2.21 0.00 0.00 174.62 172.58 3gkz s SER 121 N 0.71 7.32 -0.04 8.08 1.04 -1.26 -0.07 113.70 129.48 3gkz s SER 121 Ca -0.09 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 3gkz s SER 121 Cb -0.12 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.47 3gkz s SER 121 CO -0.00 -0.04 0.06 -0.69 0.98 0.00 0.00 173.24 173.55 3gkz s VAL 122 N -1.58 -0.09 -0.01 5.02 1.01 0.49 -4.38 120.40 120.85 3gkz s VAL 122 Ca 0.49 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.83 3gkz s VAL 122 Cb -0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3gkz s VAL 122 CO 0.24 0.12 -0.21 -0.89 0.00 0.00 0.00 175.10 174.36 3gkz s THR 123 N 1.57 2.52 -0.21 3.92 2.01 -0.26 -0.70 115.64 124.48 3gkz s THR 123 Ca -0.03 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 3gkz s THR 123 Cb -0.12 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 3gkz s THR 123 CO -0.04 0.50 0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 3gkz s VAL 124 N -0.74 5.36 -0.22 3.82 1.01 -1.26 -1.26 120.40 127.12 3gkz s VAL 124 Ca 0.12 0.26 0.20 0.00 0.00 0.00 0.00 61.98 62.55 3gkz s VAL 124 Cb -0.10 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 32.96 3gkz s VAL 124 CO 0.01 0.38 1.59 -1.20 0.00 0.00 0.00 175.10 175.89 3gkz n SER 125 N 3.89 0.51 -0.77 3.32 7.64 0.32 -4.67 113.62 123.86 3gkz n SER 125 Ca -0.15 0.73 -0.01 0.00 1.01 0.00 0.00 58.87 60.45 3gkz n SER 125 Cb 0.52 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 3gkz n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3gkz n SER 135 N -2.20 -0.06 -4.18 6.43 3.41 -1.26 -4.27 113.62 111.50 3gkz n SER 135 Ca -0.01 -1.64 -0.59 0.00 -0.26 0.00 0.00 58.87 56.36 3gkz n SER 135 Cb 0.06 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 3gkz n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkz n GLY 136 N 0.08 -0.01 0.00 5.00 0.00 -1.26 -4.27 105.19 104.73 3gkz n GLY 136 Ca -0.05 1.01 0.00 0.00 0.00 0.00 0.00 46.02 46.98 3gkz n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkz n GLY 137 N 5.71 -1.82 0.00 -0.02 0.00 -1.26 -3.62 105.19 104.17 3gkz n GLY 137 Ca 0.42 0.64 0.00 0.00 0.00 0.00 0.00 46.02 47.09 3gkz n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkz n GLY 138 N 0.00 -0.90 0.00 -0.02 0.00 -1.26 -5.04 105.19 97.97 3gkz n GLY 138 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3gkz n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkz n GLY 139 N 1.07 -0.70 3.13 -0.02 0.00 -1.26 -4.90 105.19 102.52 3gkz n GLY 139 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 3gkz n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gkz s SER 140 N -4.00 0.34 0.05 1.61 1.04 -1.26 -5.13 113.70 106.35 3gkz s SER 140 Ca 0.00 -0.84 -0.19 0.00 0.48 0.00 0.00 55.95 55.40 3gkz s SER 140 Cb 0.00 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.40 3gkz s SER 140 CO 0.00 -0.63 0.43 0.00 0.98 0.00 0.00 173.24 174.02 3gkz s GLN 141 N -3.75 0.95 -0.14 4.02 -2.07 -1.26 -4.10 119.66 113.30 3gkz s GLN 141 Ca 0.05 -0.35 -0.23 0.00 -1.82 0.00 0.00 55.36 53.01 3gkz s GLN 141 Cb 0.06 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 3gkz s GLN 141 CO -0.10 -0.33 0.72 0.42 -1.32 0.00 0.00 175.29 174.68 3gkz s ILE 142 N -2.52 4.99 -0.11 3.63 1.01 -1.26 -5.01 121.20 121.92 3gkz s ILE 142 Ca -0.05 1.42 -0.17 0.00 0.00 0.00 0.00 60.65 61.85 3gkz s ILE 142 Cb -0.01 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3gkz s ILE 142 CO -0.03 0.13 0.45 -0.69 0.00 0.00 0.00 174.94 174.81 3gkz s VAL 143 N 1.59 5.17 -0.24 2.92 1.01 -1.26 -4.76 120.40 124.83 3gkz s VAL 143 Ca 0.35 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 3gkz s VAL 143 Cb -0.17 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3gkz s VAL 143 CO 0.14 0.37 0.01 -0.76 0.00 0.00 0.00 175.10 174.85 3gkz s LEU 144 N 0.38 3.20 -0.18 3.92 1.43 -1.26 -0.28 118.68 125.89 3gkz s LEU 144 Ca 0.25 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3gkz s LEU 144 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3gkz s LEU 144 CO 0.10 -0.05 0.07 -0.89 0.23 0.00 0.00 176.35 175.81 3gkz s THR 145 N 1.52 4.85 -0.21 5.49 2.01 0.69 -3.70 115.64 126.30 3gkz s THR 145 Ca 0.05 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.06 3gkz s THR 145 Cb -0.15 -3.18 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3gkz s THR 145 CO -0.00 0.46 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.15 3gkz s GLN 146 N 0.32 2.45 -0.01 4.92 -0.21 -1.26 -0.78 119.66 125.09 3gkz s GLN 146 Ca 0.04 -0.98 0.03 0.00 0.02 0.00 0.00 55.36 54.47 3gkz s GLN 146 Cb -0.12 -2.60 -0.00 0.00 1.00 0.00 0.00 33.01 31.28 3gkz s GLN 146 CO -0.00 -0.38 -0.09 0.45 -2.12 0.00 0.00 175.29 173.15 3gkz s SER 147 N 1.27 1.11 0.76 5.90 0.15 -1.26 -4.16 113.70 117.46 3gkz s SER 147 Ca -0.01 -0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 3gkz s SER 147 Cb -0.16 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3gkz s SER 147 CO -0.09 0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.39 3gkz s PRO 148 N -0.10 2.44 0.25 5.44 0.04 -1.26 -4.46 135.00 137.34 3gkz s PRO 148 Ca 0.02 0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.64 3gkz s PRO 148 Cb -0.05 -1.97 0.29 0.00 0.04 0.00 0.00 34.50 32.81 3gkz s PRO 148 CO -0.00 -1.34 1.58 0.00 0.04 0.00 0.00 177.00 177.28 3gkz h ALA 149 N -0.88 0.90 -3.76 8.56 0.00 -1.81 -3.42 119.26 118.84 3gkz h ALA 149 Ca -0.46 -0.54 -0.37 0.00 0.00 0.00 0.00 54.91 53.54 3gkz h ALA 149 Cb 1.27 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 3gkz h ALA 149 CO 0.62 0.73 -0.77 0.42 0.00 0.00 0.00 179.25 180.25 3gkz s ILE 150 N -3.75 0.72 -0.13 0.00 1.01 -1.26 -0.27 121.20 117.51 3gkz s ILE 150 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 3gkz s ILE 150 Cb 0.12 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.97 3gkz s ILE 150 CO 0.79 0.02 0.34 -0.32 0.00 0.00 0.00 174.94 175.76 3gkz s MET 151 N -0.71 0.38 -0.03 2.79 1.75 0.65 -4.90 119.30 119.24 3gkz s MET 151 Ca -0.00 0.50 0.06 0.00 -1.25 0.00 0.00 55.69 55.00 3gkz s MET 151 Cb -0.06 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 3gkz s MET 151 CO 0.00 -0.06 -0.21 -1.12 -0.65 0.00 0.00 175.02 172.98 3gkz s SER 152 N 0.34 3.47 -0.00 1.11 0.01 -1.26 0.31 113.70 117.68 3gkz s SER 152 Ca -0.01 -0.35 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 3gkz s SER 152 Cb -0.03 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.62 3gkz s SER 152 CO -0.01 0.33 0.13 0.00 0.41 0.00 0.00 173.24 174.10 3gkz s ALA 153 N -0.64 -0.32 0.26 1.44 0.00 -0.02 -4.93 121.76 117.56 3gkz s ALA 153 Ca 0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 3gkz s ALA 153 Cb -0.10 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3gkz s ALA 153 CO -0.00 -0.20 0.73 -1.12 0.00 0.00 0.00 175.76 175.17 3gkz s SER 154 N -1.29 6.94 0.36 0.00 0.01 -1.26 -1.48 113.70 116.99 3gkz s SER 154 Ca -0.14 1.36 -0.28 0.00 1.31 0.00 0.00 55.95 58.20 3gkz s SER 154 Cb -0.07 -2.40 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 3gkz s SER 154 CO 0.01 -0.06 1.40 -2.65 0.41 0.00 0.00 173.24 172.35 3gkz n PRO 155 N 0.28 2.42 0.00 12.44 -0.02 -1.26 -1.77 135.00 147.09 3gkz n PRO 155 Ca 0.00 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3gkz n PRO 155 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3gkz n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gkz n GLY 156 N 0.60 3.20 3.79 -1.23 0.00 0.56 -4.91 105.19 107.20 3gkz n GLY 156 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3gkz n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gkz s GLU 157 N -0.97 3.94 -0.10 1.61 2.02 -0.73 -4.43 118.70 120.04 3gkz s GLU 157 Ca 0.00 1.49 -0.26 0.00 0.02 0.00 0.00 54.97 56.22 3gkz s GLU 157 Cb 0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3gkz s GLU 157 CO 0.00 -0.33 0.81 0.21 0.02 0.00 0.00 175.26 175.97 3gkz s LYS 158 N -2.84 4.40 -0.06 1.61 2.20 -1.26 -0.59 119.74 123.20 3gkz s LYS 158 Ca 0.63 1.05 0.03 0.00 -0.36 0.00 0.00 55.97 57.32 3gkz s LYS 158 Cb -0.21 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3gkz s LYS 158 CO 0.25 -0.14 -0.15 0.08 -0.36 0.00 0.00 175.35 175.04 3gkz s VAL 159 N 1.46 3.00 -0.08 4.02 1.01 -0.37 -4.96 120.40 124.48 3gkz s VAL 159 Ca 0.41 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3gkz s VAL 159 Cb -0.18 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3gkz s VAL 159 CO 0.17 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 174.91 3gkz s THR 160 N -0.60 0.75 -0.02 3.92 2.01 -1.26 -0.29 115.64 120.14 3gkz s THR 160 Ca 0.09 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3gkz s THR 160 Cb -0.11 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 3gkz s THR 160 CO 0.01 0.31 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.42 3gkz s LEU 161 N 1.49 3.18 0.25 4.42 1.43 0.96 -4.96 118.68 125.44 3gkz s LEU 161 Ca -0.01 -0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3gkz s LEU 161 Cb -0.13 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3gkz s LEU 161 CO -0.04 0.31 -0.17 0.42 0.23 0.00 0.00 176.35 177.10 3gkz s THR 162 N -0.93 2.66 -0.08 5.49 -4.23 -1.26 -0.43 115.64 116.85 3gkz s THR 162 Ca 0.16 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3gkz s THR 162 Cb -0.11 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.41 3gkz s THR 162 CO 0.05 -0.30 0.15 0.00 -0.54 0.00 0.00 174.62 173.99 3gkz s SER 164 N 2.29 4.13 0.06 0.00 0.15 0.04 -0.99 113.70 119.36 3gkz s SER 164 Ca 0.03 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.16 3gkz s SER 164 Cb -0.12 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.45 3gkz s SER 164 CO -0.06 0.06 0.46 0.00 1.20 0.00 0.00 173.24 174.91 3gkz s ALA 165 N 0.99 3.66 0.15 5.45 0.00 -0.04 -0.22 121.76 131.75 3gkz s ALA 165 Ca -0.01 -0.19 0.35 0.00 0.00 0.00 0.00 51.96 52.11 3gkz s ALA 165 Cb -0.15 -2.43 1.48 0.00 0.00 0.00 0.00 23.12 22.02 3gkz s ALA 165 CO -0.01 0.48 2.02 0.66 0.00 0.00 0.00 175.76 178.91 3gkz h SER 166 N 4.24 0.00 -5.11 0.00 4.64 -0.97 -3.44 113.55 112.91 3gkz h SER 166 Ca -0.50 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 3gkz h SER 166 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 3gkz h SER 166 CO 0.64 0.00 -0.43 -0.44 -0.87 0.00 0.00 176.83 175.73 3gkz s SER 167 N -5.60 0.12 0.59 4.97 0.01 -1.26 -4.96 113.70 107.56 3gkz s SER 167 Ca 0.01 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 56.54 3gkz s SER 167 Cb 0.09 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 3gkz s SER 167 CO 0.53 -0.61 1.23 -1.20 0.41 0.00 0.00 173.24 173.60 3gkz n SER 168 N 0.43 1.95 -3.93 2.44 7.64 -1.26 -4.75 113.62 116.13 3gkz n SER 168 Ca -0.17 0.88 -0.10 0.00 1.01 0.00 0.00 58.87 60.49 3gkz n SER 168 Cb 0.60 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.17 3gkz n SER 168 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gkz s VAL 169 N -1.38 0.08 0.16 0.44 -7.23 -0.97 -5.00 120.40 106.51 3gkz s VAL 169 Ca 0.76 -0.68 -0.31 0.00 -1.81 0.00 0.00 61.98 59.94 3gkz s VAL 169 Cb -0.41 -0.26 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 3gkz s VAL 169 CO 0.46 -0.37 1.48 -0.55 -0.31 0.00 0.00 175.10 175.81 3gkz s SER 170 N -1.14 6.68 0.57 4.85 0.15 -1.26 -4.16 113.70 119.39 3gkz s SER 170 Ca -0.12 2.52 0.28 0.00 0.70 0.00 0.00 55.95 59.33 3gkz s SER 170 Cb -0.08 -2.60 1.69 0.00 -1.71 0.00 0.00 66.02 63.33 3gkz s SER 170 CO -0.00 -0.74 2.20 0.77 1.20 0.00 0.00 173.24 176.67 3gkz h SER 171 N 6.54 0.00 0.90 5.45 4.64 -1.92 0.35 113.55 129.51 3gkz h SER 171 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3gkz h SER 171 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gkz h SER 171 CO 0.88 0.04 0.00 0.77 -0.87 0.00 0.00 176.83 177.64 3gkz h SER 172 N 0.00 0.00 -0.15 4.97 4.64 -1.90 -2.92 113.55 118.19 3gkz h SER 172 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gkz h SER 172 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3gkz h SER 172 CO 0.00 0.00 -0.10 1.41 -0.87 0.00 0.00 176.83 177.28 3gkz n HIS 173 N -2.39 0.52 -3.78 4.77 -0.00 0.11 -3.96 115.22 110.48 3gkz n HIS 173 Ca 0.02 -1.18 -0.37 0.00 -0.00 0.00 0.00 57.72 56.19 3gkz n HIS 173 Cb 0.27 -0.29 -0.13 0.00 -0.00 0.00 0.00 29.99 29.85 3gkz n HIS 173 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3gkz s LEU 174 N -3.01 3.83 0.26 2.41 1.98 -1.18 -1.89 118.68 121.08 3gkz s LEU 174 Ca 0.39 -0.77 0.11 0.00 -2.89 0.00 0.00 54.13 50.97 3gkz s LEU 174 Cb 0.34 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 3gkz s LEU 174 CO 0.02 -0.20 -0.13 -0.31 -1.89 0.00 0.00 176.35 173.85 3gkz s TYR 175 N 1.47 2.46 -0.01 5.38 1.51 0.71 -0.62 117.35 128.25 3gkz s TYR 175 Ca 0.02 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3gkz s TYR 175 Cb -0.17 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3gkz s TYR 175 CO 0.02 0.65 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.37 3gkz s TRP 176 N -2.31 1.38 0.07 2.71 0.52 -0.11 0.52 118.94 121.72 3gkz s TRP 176 Ca 0.29 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 56.22 3gkz s TRP 176 Cb -0.06 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.34 3gkz s TRP 176 CO 0.16 -0.03 -0.19 0.71 0.02 0.00 0.00 176.95 177.62 3gkz s TYR 177 N -0.34 1.66 -0.05 -1.98 1.51 0.47 -0.14 117.35 118.47 3gkz s TYR 177 Ca 0.06 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3gkz s TYR 177 Cb -0.06 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 3gkz s TYR 177 CO -0.01 0.14 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.29 3gkz s GLN 178 N -1.60 2.54 -0.02 -0.62 0.74 -0.54 -0.95 119.66 119.20 3gkz s GLN 178 Ca 0.05 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.75 3gkz s GLN 178 Cb -0.09 -2.38 0.02 0.00 1.10 0.00 0.00 33.01 31.65 3gkz s GLN 178 CO 0.03 0.60 0.05 -1.14 -0.55 0.00 0.00 175.29 174.28 3gkz s GLN 179 N -0.67 0.01 0.07 1.67 0.74 0.57 -0.73 119.66 121.32 3gkz s GLN 179 Ca 0.10 0.16 0.07 0.00 0.05 0.00 0.00 55.36 55.75 3gkz s GLN 179 Cb -0.11 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 3gkz s GLN 179 CO 0.01 -0.11 -0.16 0.15 -0.55 0.00 0.00 175.29 174.63 3gkz s LYS 180 N 0.70 2.01 0.17 1.67 1.02 -1.26 -0.75 119.74 123.30 3gkz s LYS 180 Ca -0.06 -1.04 -0.32 0.00 0.02 0.00 0.00 55.97 54.58 3gkz s LYS 180 Cb -0.08 -2.20 -0.17 0.00 -0.52 0.00 0.00 37.83 34.87 3gkz s LYS 180 CO -0.02 0.52 0.94 -0.35 -0.92 0.00 0.00 175.35 175.52 3gkz n PRO 181 N 1.18 0.67 -1.02 -1.68 -0.04 -1.26 -1.58 135.00 131.26 3gkz n PRO 181 Ca -0.16 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 3gkz n PRO 181 Cb 0.52 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3gkz n PRO 181 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gkz n GLY 182 N 1.81 0.46 3.07 0.55 0.00 -1.26 -5.02 105.19 104.80 3gkz n GLY 182 Ca 0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3gkz n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gkz s SER 183 N -2.19 0.70 0.67 1.61 0.15 -0.62 -5.15 113.70 108.87 3gkz s SER 183 Ca 0.00 -0.70 -0.11 0.00 0.70 0.00 0.00 55.95 55.84 3gkz s SER 183 Cb 0.00 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3gkz s SER 183 CO 0.00 -0.34 1.05 -0.94 1.20 0.00 0.00 173.24 174.21 3gkz s SER 184 N -2.06 5.67 0.57 5.45 1.04 -1.26 -4.49 113.70 118.62 3gkz s SER 184 Ca -0.04 1.56 -0.20 0.00 0.48 0.00 0.00 55.95 57.74 3gkz s SER 184 Cb -0.04 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3gkz s SER 184 CO -0.03 -1.25 1.30 -2.84 0.98 0.00 0.00 173.24 171.40 3gkz s PRO 185 N -5.04 3.04 -0.06 4.02 0.02 -1.26 -4.70 135.00 131.02 3gkz s PRO 185 Ca 0.57 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.72 3gkz s PRO 185 Cb -0.13 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 3gkz s PRO 185 CO 0.54 -1.22 -0.22 0.15 -0.33 0.00 0.00 177.00 175.91 3gkz s LYS 186 N -3.07 2.39 0.11 5.54 1.02 0.09 -4.83 119.74 120.99 3gkz s LYS 186 Ca 0.74 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 55.61 3gkz s LYS 186 Cb -0.37 -2.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.84 3gkz s LYS 186 CO 0.42 0.31 1.86 -0.11 -0.92 0.00 0.00 175.35 176.90 3gkz n LEU 187 N 3.10 4.07 -0.07 3.17 7.94 -1.26 -1.47 117.00 132.48 3gkz n LEU 187 Ca -0.18 0.98 -0.14 0.00 -1.11 0.00 0.00 56.01 55.56 3gkz n LEU 187 Cb 0.52 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.88 3gkz n LEU 187 CO 0.26 0.18 -0.87 1.87 -1.11 0.00 0.00 177.39 177.72 3gkz n TRP 188 N 5.87 0.00 -4.46 1.96 -0.00 0.80 -4.71 117.44 116.91 3gkz n TRP 188 Ca 0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.48 3gkz n TRP 188 Cb 0.38 -0.48 -0.15 0.00 -0.00 0.00 0.00 31.31 31.05 3gkz n TRP 188 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3gkz s ILE 189 N -2.33 0.86 0.04 5.87 1.01 -0.62 -1.10 121.20 124.94 3gkz s ILE 189 Ca -0.20 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.10 3gkz s ILE 189 Cb 0.07 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3gkz s ILE 189 CO 0.26 0.26 -0.22 -0.72 0.00 0.00 0.00 174.94 174.52 3gkz s TYR 190 N 0.01 1.89 -1.30 3.97 -0.85 0.86 -0.94 117.35 120.99 3gkz s TYR 190 Ca -0.00 -0.38 -0.02 0.00 -0.52 0.00 0.00 57.07 56.14 3gkz s TYR 190 Cb -0.07 -1.13 0.01 0.00 0.38 0.00 0.00 41.96 41.15 3gkz s TYR 190 CO 0.00 0.10 0.84 0.43 -1.52 0.00 0.00 175.55 175.40 3gkz n SER 191 N 1.82 -2.11 0.00 -0.18 7.64 -1.14 -1.88 113.62 117.77 3gkz n SER 191 Ca -0.17 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3gkz n SER 191 Cb 0.53 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 3gkz n SER 191 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3gkz n THR 192 N -4.32 0.00 -0.73 0.44 -1.04 0.21 -4.17 114.28 104.67 3gkz n THR 192 Ca -0.24 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.78 3gkz n THR 192 Cb 0.65 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.18 3gkz n THR 192 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gkz n SER 193 N 1.59 1.04 -4.60 8.00 3.41 -1.24 -3.43 113.62 118.39 3gkz n SER 193 Ca 0.00 -1.73 -0.35 0.00 -0.26 0.00 0.00 58.87 56.52 3gkz n SER 193 Cb 0.00 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 3gkz n SER 193 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3gkz s ASN 194 N -0.82 5.63 0.18 4.04 0.01 -0.79 -4.54 114.94 118.65 3gkz s ASN 194 Ca 0.04 0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 3gkz s ASN 194 Cb 0.03 -1.99 -0.08 0.00 0.41 0.00 0.00 41.25 39.62 3gkz s ASN 194 CO 0.00 0.10 0.97 -0.76 -1.51 0.00 0.00 177.10 175.90 3gkz s LEU 195 N 0.85 4.57 0.77 0.60 1.43 -1.26 -0.10 118.68 125.53 3gkz s LEU 195 Ca 0.05 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 3gkz s LEU 195 Cb -0.13 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.54 3gkz s LEU 195 CO 0.02 0.02 1.15 0.00 0.23 0.00 0.00 176.35 177.77 3gkz s ALA 196 N -0.62 2.75 0.25 4.21 0.00 -0.26 -4.88 121.76 123.21 3gkz s ALA 196 Ca 0.44 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 3gkz s ALA 196 Cb -0.26 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3gkz s ALA 196 CO 0.32 -1.48 1.57 0.45 0.00 0.00 0.00 175.76 176.63 3gkz s SER 197 N -4.50 6.47 0.00 0.00 0.15 -1.26 -2.25 113.70 112.31 3gkz s SER 197 Ca 0.61 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.07 3gkz s SER 197 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3gkz s SER 197 CO 0.50 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3gkz n GLY 198 N 2.71 0.51 3.66 9.45 0.00 -1.26 -5.04 105.19 115.22 3gkz n GLY 198 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3gkz n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gkz s VAL 199 N -2.21 5.23 0.37 1.61 1.01 -0.96 -5.05 120.40 120.40 3gkz s VAL 199 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3gkz s VAL 199 Cb 0.00 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 3gkz s VAL 199 CO 0.00 0.26 1.36 -2.65 0.00 0.00 0.00 175.10 174.07 3gkz n PRO 200 N 4.58 2.30 0.00 2.72 -0.02 -1.26 -4.87 135.00 138.45 3gkz n PRO 200 Ca -0.10 0.81 0.03 0.00 -2.02 0.00 0.00 63.50 62.22 3gkz n PRO 200 Cb 0.51 -2.46 0.15 0.00 -0.02 0.00 0.00 33.50 31.67 3gkz n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gkz n ALA 201 N 0.29 1.41 0.46 3.55 0.00 -1.26 -1.89 120.51 123.05 3gkz n ALA 201 Ca 0.04 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3gkz n ALA 201 Cb 0.38 -1.10 0.37 0.00 0.00 0.00 0.00 19.45 19.10 3gkz n ALA 201 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gkz n ARG 202 N -1.36 0.07 -3.30 0.00 1.85 -1.26 -4.69 116.66 107.97 3gkz n ARG 202 Ca 0.02 0.32 -0.31 0.00 -1.00 0.00 0.00 57.85 56.88 3gkz n ARG 202 Cb 0.06 -1.63 -0.05 0.00 -1.05 0.00 0.00 32.46 29.79 3gkz n ARG 202 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3gkz s PHE 203 N -3.11 3.43 0.23 2.89 0.40 -0.79 -0.64 117.98 120.38 3gkz s PHE 203 Ca 0.06 0.88 -0.16 0.00 -0.60 0.00 0.00 56.93 57.11 3gkz s PHE 203 Cb 0.09 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.36 3gkz s PHE 203 CO 0.31 0.18 0.54 -1.54 0.70 0.00 0.00 175.22 175.41 3gkz s SER 204 N -2.61 -0.19 0.02 1.36 1.04 -0.18 -4.97 113.70 108.18 3gkz s SER 204 Ca 0.48 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 3gkz s SER 204 Cb -0.11 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.65 3gkz s SER 204 CO 0.24 -1.13 0.37 -0.83 0.98 0.00 0.00 173.24 172.87 3gkz s GLY 205 N -2.94 -0.22 0.23 7.32 0.00 -1.26 -0.94 107.32 109.51 3gkz s GLY 205 Ca 0.14 0.29 -0.22 0.00 0.00 0.00 0.00 44.72 44.93 3gkz s GLY 205 CO 0.03 0.04 0.66 -1.35 0.00 0.00 0.00 173.10 172.49 3gkz s SER 206 N -1.82 -0.38 0.00 1.64 1.04 -0.63 -4.19 113.70 109.36 3gkz s SER 206 Ca -0.07 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3gkz s SER 206 Cb -0.02 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3gkz s SER 206 CO -0.00 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3gkz n GLY 207 N -0.42 2.36 3.57 7.32 0.00 -1.26 -0.69 105.19 116.06 3gkz n GLY 207 Ca -0.09 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 3gkz n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gkz s SER 208 N 0.00 -0.23 1.75 1.61 0.15 -0.67 -4.94 113.70 111.38 3gkz s SER 208 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3gkz s SER 208 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3gkz s SER 208 CO 0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3gkz n GLY 209 N -0.23 1.96 0.40 9.45 0.00 -1.26 -2.01 105.19 113.50 3gkz n GLY 209 Ca -0.05 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.19 3gkz n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gkz n THR 210 N 0.00 0.69 -3.95 2.61 -2.24 -1.26 -2.28 114.28 107.84 3gkz n THR 210 Ca 0.00 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 3gkz n THR 210 Cb 0.00 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 68.77 3gkz n THR 210 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gkz s SER 211 N -0.89 2.62 0.16 3.42 0.15 -0.85 -0.86 113.70 117.45 3gkz s SER 211 Ca 0.14 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.33 3gkz s SER 211 Cb 0.08 -1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 63.33 3gkz s SER 211 CO 0.10 -0.12 -0.10 -0.31 1.20 0.00 0.00 173.24 174.02 3gkz s TYR 212 N 1.59 1.34 0.04 3.44 1.51 -0.16 -1.66 117.35 123.45 3gkz s TYR 212 Ca 0.03 -0.75 -0.16 0.00 -1.01 0.00 0.00 57.07 55.19 3gkz s TYR 212 Cb -0.14 -0.68 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3gkz s TYR 212 CO -0.09 0.11 0.36 -1.54 -1.11 0.00 0.00 175.55 173.28 3gkz s SER 213 N -3.20 -0.20 -0.06 2.29 1.04 0.13 -0.84 113.70 112.86 3gkz s SER 213 Ca 0.18 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.55 3gkz s SER 213 Cb 0.02 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3gkz s SER 213 CO 0.02 -0.64 -0.16 -0.22 0.98 0.00 0.00 173.24 173.22 3gkz s LEU 214 N -2.03 1.81 0.05 2.42 0.20 0.42 -1.61 118.68 119.94 3gkz s LEU 214 Ca -0.05 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.47 3gkz s LEU 214 Cb -0.01 -0.97 -0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3gkz s LEU 214 CO -0.03 0.09 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.07 3gkz s THR 215 N 0.40 1.34 -0.23 3.68 2.01 -0.12 -0.03 115.64 122.70 3gkz s THR 215 Ca -0.12 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 60.74 3gkz s THR 215 Cb -0.15 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.19 3gkz s THR 215 CO 0.04 0.04 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.26 3gkz s ILE 216 N -0.90 2.52 0.30 1.82 1.01 0.60 -1.01 121.20 125.54 3gkz s ILE 216 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3gkz s ILE 216 Cb -0.09 -2.23 0.28 0.00 0.01 0.00 0.00 42.46 40.44 3gkz s ILE 216 CO 0.02 0.29 1.89 0.77 0.00 0.00 0.00 174.94 177.91 3gkz h SER 217 N 7.95 0.89 -2.07 3.58 4.64 -1.17 -0.98 113.55 126.39 3gkz h SER 217 Ca -0.35 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 60.75 3gkz h SER 217 Cb 1.11 -0.17 -0.32 0.00 -0.31 0.00 0.00 62.40 62.71 3gkz h SER 217 CO 0.58 0.55 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.98 3gkz s SER 218 N -5.93 0.83 -0.08 4.97 0.15 -1.26 -4.00 113.70 108.38 3gkz s SER 218 Ca -0.11 -0.16 -0.37 0.00 0.70 0.00 0.00 55.95 56.01 3gkz s SER 218 Cb 0.20 0.81 -0.14 0.00 -1.71 0.00 0.00 66.02 65.18 3gkz s SER 218 CO 0.80 -0.33 1.70 0.80 1.20 0.00 0.00 173.24 177.41 3gkz n MET 219 N 5.34 1.67 -4.33 5.44 1.56 0.24 -4.67 117.12 122.37 3gkz n MET 219 Ca -0.03 0.61 -0.27 0.00 -0.27 0.00 0.00 57.70 57.74 3gkz n MET 219 Cb 0.49 -2.35 -0.10 0.00 2.15 0.00 0.00 33.22 33.41 3gkz n MET 219 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3gkz s GLU 220 N 2.80 1.93 0.22 2.12 0.41 -1.26 -0.32 118.70 124.60 3gkz s GLU 220 Ca 0.91 -1.35 -0.08 0.00 -0.41 0.00 0.00 54.97 54.04 3gkz s GLU 220 Cb -0.86 -2.08 0.34 0.00 -1.78 0.00 0.00 34.13 29.75 3gkz s GLU 220 CO 0.53 0.42 1.71 0.00 -0.49 0.00 0.00 175.26 177.44 3gkz h ALA 221 N 2.92 0.81 0.00 5.21 0.00 -1.99 -0.21 119.26 126.00 3gkz h ALA 221 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gkz h ALA 221 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gkz h ALA 221 CO 0.53 -0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 3gkz n GLU 222 N -5.09 0.07 0.00 0.00 0.28 -1.26 -1.94 120.64 112.70 3gkz n GLU 222 Ca 0.10 0.24 0.12 0.00 -0.16 0.00 0.00 57.16 57.47 3gkz n GLU 222 Cb 0.34 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.03 3gkz n GLU 222 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3gkz n ASP 223 N -1.28 0.41 -4.67 -1.84 8.00 -0.09 -4.82 116.55 112.27 3gkz n ASP 223 Ca 0.02 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 3gkz n ASP 223 Cb 0.04 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3gkz n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gkz s ALA 224 N -3.00 3.62 0.00 2.24 0.00 -0.82 -4.85 121.76 118.95 3gkz s ALA 224 Ca 0.11 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3gkz s ALA 224 Cb 0.18 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3gkz s ALA 224 CO 0.67 -1.31 0.00 0.00 0.00 0.00 0.00 175.76 175.12 3gkz n ALA 225 N 6.75 0.00 -2.87 0.00 0.00 -0.66 -4.97 120.51 118.77 3gkz n ALA 225 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3gkz n ALA 225 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 3gkz n ALA 225 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gkz s SER 226 N -1.87 6.27 -0.08 0.00 0.01 0.07 -0.83 113.70 117.27 3gkz s SER 226 Ca 0.00 0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.70 3gkz s SER 226 Cb 0.00 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.24 3gkz s SER 226 CO 0.00 0.37 -0.19 -0.31 0.41 0.00 0.00 173.24 173.53 3gkz s TYR 227 N -1.08 2.07 -0.04 2.43 1.51 -0.57 -0.31 117.35 121.36 3gkz s TYR 227 Ca 0.17 -0.82 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 3gkz s TYR 227 Cb -0.12 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3gkz s TYR 227 CO 0.07 -0.35 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.87 3gkz s PHE 228 N 0.48 2.11 0.47 2.71 0.40 -0.13 -1.45 117.98 122.57 3gkz s PHE 228 Ca -0.17 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 3gkz s PHE 228 Cb -0.17 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 41.99 3gkz s PHE 228 CO 0.07 -0.12 0.70 0.00 0.70 0.00 0.00 175.22 176.56 3gkz s HIS 230 N -2.60 -0.56 -0.06 0.00 5.04 0.19 -1.30 115.29 115.99 3gkz s HIS 230 Ca 0.50 1.30 0.03 0.00 -1.54 0.00 0.00 55.06 55.35 3gkz s HIS 230 Cb -0.10 0.22 0.01 0.00 0.04 0.00 0.00 32.58 32.75 3gkz s HIS 230 CO 0.38 -0.34 -0.13 -1.14 -2.34 0.00 0.00 174.74 171.18 3gkz s GLN 231 N -0.05 1.68 -0.15 2.88 -0.44 -0.27 -0.21 119.66 123.10 3gkz s GLN 231 Ca -0.03 -0.44 0.17 0.00 -2.50 0.00 0.00 55.36 52.56 3gkz s GLN 231 Cb -0.03 -1.40 0.43 0.00 -1.64 0.00 0.00 33.01 30.36 3gkz s GLN 231 CO 0.02 0.07 1.19 -2.67 0.50 0.00 0.00 175.29 174.40 3gkz n TRP 232 N 3.67 0.33 0.11 1.67 4.27 -0.79 -1.67 117.44 125.02 3gkz n TRP 232 Ca -0.22 -1.25 -0.17 0.00 -3.89 0.00 0.00 57.50 51.96 3gkz n TRP 232 Cb 0.52 -0.22 -0.14 0.00 -1.36 0.00 0.00 31.31 30.11 3gkz n TRP 232 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 3gkz h SER 233 N 1.21 0.49 -4.40 -0.67 0.87 -1.91 -3.46 113.55 105.68 3gkz h SER 233 Ca -0.06 -0.53 -0.45 0.00 -1.23 0.00 0.00 61.79 59.52 3gkz h SER 233 Cb 1.38 -0.16 -0.22 0.00 -0.44 0.00 0.00 62.40 62.96 3gkz h SER 233 CO 0.11 1.42 -0.79 -0.55 -0.53 0.00 0.00 176.83 176.49 3gkz s SER 234 N -7.20 1.85 -0.05 6.23 0.15 -1.26 -4.95 113.70 108.46 3gkz s SER 234 Ca -0.05 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 3gkz s SER 234 Cb 0.07 -0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 3gkz s SER 234 CO 0.89 -0.03 0.36 -0.36 1.20 0.00 0.00 173.24 175.30 3gkz s PHE 235 N -1.19 3.65 0.51 3.44 0.40 -1.26 -3.19 117.98 120.34 3gkz s PHE 235 Ca 0.00 0.85 -0.17 0.00 -0.60 0.00 0.00 56.93 57.01 3gkz s PHE 235 Cb -0.10 -2.27 -0.08 0.00 0.51 0.00 0.00 43.02 41.08 3gkz s PHE 235 CO 0.02 0.55 1.00 -1.25 0.70 0.00 0.00 175.22 176.24 3gkz s PRO 236 N -0.67 3.87 0.55 0.24 0.04 -1.26 -4.77 135.00 133.01 3gkz s PRO 236 Ca 0.21 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 3gkz s PRO 236 Cb -0.15 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3gkz s PRO 236 CO 0.10 -0.34 1.23 -0.06 0.04 0.00 0.00 177.00 177.97 3gkz s PHE 237 N -2.47 2.49 0.15 0.56 0.08 -1.19 -4.66 117.98 112.93 3gkz s PHE 237 Ca 0.61 1.49 0.03 0.00 0.12 0.00 0.00 56.93 59.18 3gkz s PHE 237 Cb -0.11 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.77 3gkz s PHE 237 CO 0.28 -2.17 -0.04 0.95 -0.10 0.00 0.00 175.22 174.14 3gkz s THR 238 N -1.53 0.84 0.12 0.64 -4.23 -0.67 -4.44 115.64 106.38 3gkz s THR 238 Ca 0.73 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3gkz s THR 238 Cb -0.32 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 3gkz s THR 238 CO 0.36 -0.64 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.24 3gkz s PHE 239 N -3.54 1.83 0.70 3.99 0.40 -1.26 -1.12 117.98 118.97 3gkz s PHE 239 Ca 0.19 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 3gkz s PHE 239 Cb 0.05 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.62 3gkz s PHE 239 CO 0.01 0.26 1.08 0.20 0.70 0.00 0.00 175.22 177.47 3gkz s GLY 240 N -2.17 1.64 0.44 4.36 0.00 -0.42 -4.58 107.32 106.58 3gkz s GLY 240 Ca 0.10 -0.26 0.30 0.00 0.00 0.00 0.00 44.72 44.86 3gkz s GLY 240 CO 0.05 0.09 1.91 1.48 0.00 0.00 0.00 173.10 176.63 3gkz h SER 241 N -0.64 0.00 -4.46 1.64 4.64 -1.90 -3.43 113.55 109.40 3gkz h SER 241 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gkz h SER 241 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gkz h SER 241 CO 0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 3gkz n GLY 242 N -0.42 -0.41 2.96 -0.77 0.00 -1.26 -4.76 105.19 100.53 3gkz n GLY 242 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 3gkz n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkz s THR 243 N -3.01 1.16 -0.32 2.61 2.01 -0.53 -4.58 115.64 112.98 3gkz s THR 243 Ca 0.00 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3gkz s THR 243 Cb 0.00 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 3gkz s THR 243 CO 0.00 0.38 0.61 -0.75 -0.69 0.00 0.00 174.62 174.17 3gkz s LYS 244 N 1.38 3.82 -0.27 4.92 2.20 0.63 -1.51 119.74 130.91 3gkz s LYS 244 Ca -0.00 0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.67 3gkz s LYS 244 Cb -0.14 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 3gkz s LYS 244 CO -0.05 -0.61 0.22 -1.17 -0.36 0.00 0.00 175.35 173.38 3gkz s LEU 245 N 2.59 4.04 0.23 5.43 2.96 -0.01 -0.25 118.68 133.66 3gkz s LEU 245 Ca 0.24 0.06 0.11 0.00 -0.22 0.00 0.00 54.13 54.32 3gkz s LEU 245 Cb -0.15 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3gkz s LEU 245 CO 0.13 -0.06 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.30 3gkz s GLU 246 N 1.70 1.69 0.26 1.98 2.02 0.15 -1.65 118.70 124.85 3gkz s GLU 246 Ca 0.09 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.48 3gkz s GLU 246 Cb -0.16 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3gkz s GLU 246 CO 0.10 0.38 0.47 0.96 0.02 0.00 0.00 175.26 177.19 3gkz s ILE 247 N -2.00 5.13 0.40 -1.63 -4.36 -1.26 -0.84 121.20 116.63 3gkz s ILE 247 Ca 0.25 -0.24 0.04 0.00 -0.26 0.00 0.00 60.65 60.44 3gkz s ILE 247 Cb -0.07 -3.76 -0.00 0.00 1.25 0.00 0.00 42.46 39.88 3gkz s ILE 247 CO 0.13 -0.29 0.57 -0.54 0.24 0.00 0.00 174.94 175.05 3gkz s LYS 248 N -3.58 3.02 0.00 0.37 1.02 -0.55 -4.73 119.74 115.29 3gkz s LYS 248 Ca 0.40 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3gkz s LYS 248 Cb -0.11 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3gkz s LYS 248 CO 0.30 -0.15 0.00 0.54 -0.92 0.00 0.00 175.35 175.13 3gkz n ARG 249 N -1.86 0.00 0.00 1.68 5.12 -1.26 -4.81 116.66 115.52 3gkz n ARG 249 Ca 0.02 0.34 0.13 0.00 -1.93 0.00 0.00 57.85 56.40 3gkz n ARG 249 Cb 0.58 -0.42 0.26 0.00 -1.16 0.00 0.00 32.46 31.72 3gkz n ARG 249 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70