#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kel s VAL 2 N 0.00 3.44 -0.02 2.62 1.01 -1.26 -4.03 120.40 122.16 1kel s VAL 2 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1kel s VAL 2 Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1kel s VAL 2 CO 0.00 0.07 -0.04 -0.54 0.00 0.00 0.00 175.10 174.58 1kel s LYS 3 N 1.31 0.48 -0.08 2.72 1.02 0.50 -4.99 119.74 120.71 1kel s LYS 3 Ca 0.64 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.50 1kel s LYS 3 Cb -0.35 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.48 1kel s LYS 3 CO 0.30 0.04 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.20 1kel s LEU 4 N 0.25 1.09 -0.19 3.17 1.02 -1.26 -1.67 118.68 121.09 1kel s LEU 4 Ca -0.03 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1kel s LEU 4 Cb -0.06 -0.65 0.05 0.00 0.02 0.00 0.00 46.19 45.55 1kel s LEU 4 CO -0.00 -0.11 -0.06 -0.69 0.02 0.00 0.00 176.35 175.51 1kel s VAL 5 N 1.50 1.32 0.37 -1.59 1.01 0.10 -4.16 120.40 118.95 1kel s VAL 5 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1kel s VAL 5 Cb -0.13 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 1kel s VAL 5 CO -0.04 0.07 0.80 -1.61 0.00 0.00 0.00 175.10 174.32 1kel s GLU 6 N 1.53 4.01 0.23 2.72 8.01 -1.26 -0.71 118.70 133.22 1kel s GLU 6 Ca -0.01 0.74 -0.22 0.00 0.01 0.00 0.00 54.97 55.49 1kel s GLU 6 Cb -0.16 -2.35 0.04 0.00 -4.31 0.00 0.00 34.13 27.34 1kel s GLU 6 CO -0.08 0.06 0.75 -1.54 0.01 0.00 0.00 175.26 174.46 1kel s SER 7 N -2.46 -0.30 0.00 -0.19 1.04 -0.67 -4.72 113.70 106.40 1kel s SER 7 Ca 0.56 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1kel s SER 7 Cb -0.10 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1kel s SER 7 CO 0.20 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1kel n GLY 8 N -0.44 0.55 3.64 7.32 0.00 -1.26 -1.92 105.19 113.07 1kel n GLY 8 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1kel n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kel s GLY 9 N -1.28 1.59 0.00 -0.02 0.00 -1.26 -4.84 107.32 101.51 1kel s GLY 9 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1kel s GLY 9 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.18 1kel n GLY 10 N -0.47 -0.21 3.65 0.20 0.00 -0.19 -4.96 105.19 103.22 1kel n GLY 10 Ca 0.06 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1kel n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kel s LEU 11 N 0.00 4.13 0.04 0.99 2.96 -1.26 -1.08 118.68 124.45 1kel s LEU 11 Ca 0.00 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1kel s LEU 11 Cb 0.00 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1kel s LEU 11 CO 0.00 -0.13 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.06 1kel s GLY 12 N 1.20 1.89 -0.04 7.98 0.00 0.93 -4.93 107.32 114.34 1kel s GLY 12 Ca 0.20 -1.02 -0.24 0.00 0.00 0.00 0.00 44.72 43.65 1kel s GLY 12 CO 0.09 -0.94 0.73 1.62 0.00 0.00 0.00 173.10 174.60 1kel s GLN 13 N -1.87 4.45 0.20 2.90 0.74 -1.26 -0.78 119.66 124.04 1kel s GLN 13 Ca 0.22 0.95 -0.32 0.00 0.05 0.00 0.00 55.36 56.26 1kel s GLN 13 Cb -0.12 -3.43 -0.14 0.00 1.10 0.00 0.00 33.01 30.43 1kel s GLN 13 CO 0.14 0.11 1.45 -2.30 -0.55 0.00 0.00 175.29 174.13 1kel n PRO 14 N 3.57 1.97 -0.49 1.67 -0.02 -1.26 0.32 135.00 140.77 1kel n PRO 14 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1kel n PRO 14 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1kel n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kel n GLY 15 N 2.58 1.24 0.00 -1.23 0.00 0.42 -4.89 105.19 103.31 1kel n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kel n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kel n GLY 16 N -2.00 0.89 3.22 -0.02 0.00 0.15 -4.37 105.19 103.06 1kel n GLY 16 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1kel n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kel s SER 17 N -1.00 1.43 -0.28 1.61 0.01 -1.26 -0.76 113.70 113.45 1kel s SER 17 Ca 0.00 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.05 1kel s SER 17 Cb 0.00 0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.37 1kel s SER 17 CO 0.00 -0.43 0.71 -0.22 0.41 0.00 0.00 173.24 173.71 1kel s LEU 18 N -3.12 -0.91 -0.21 2.44 2.96 -0.45 -4.88 118.68 114.52 1kel s LEU 18 Ca 0.16 1.46 -0.04 0.00 -0.22 0.00 0.00 54.13 55.49 1kel s LEU 18 Cb 0.04 2.35 -0.01 0.00 0.50 0.00 0.00 46.19 49.07 1kel s LEU 18 CO -0.01 -0.23 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.16 1kel s ARG 19 N 1.54 3.46 0.05 1.98 3.52 -1.26 -0.51 118.95 127.73 1kel s ARG 19 Ca -0.09 -0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 1kel s ARG 19 Cb -0.05 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1kel s ARG 19 CO -0.18 -0.10 0.25 -0.51 -0.81 0.00 0.00 175.30 173.94 1kel s LEU 20 N 1.25 4.35 0.24 -0.88 1.43 0.17 -4.74 118.68 120.50 1kel s LEU 20 Ca 0.03 0.41 0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1kel s LEU 20 Cb -0.14 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1kel s LEU 20 CO -0.01 0.19 -0.21 -0.44 0.23 0.00 0.00 176.35 176.11 1kel s SER 21 N -2.18 3.46 -0.30 2.29 0.01 -0.81 -1.05 113.70 115.13 1kel s SER 21 Ca 0.33 -0.97 -0.02 0.00 1.31 0.00 0.00 55.95 56.60 1kel s SER 21 Cb -0.13 -0.27 0.12 0.00 0.21 0.00 0.00 66.02 65.95 1kel s SER 21 CO 0.22 0.06 0.22 0.00 0.41 0.00 0.00 173.24 174.15 1kel s ALA 23 N 2.00 3.26 0.26 0.00 0.00 0.11 -0.46 121.76 126.93 1kel s ALA 23 Ca 0.11 0.33 0.11 0.00 0.00 0.00 0.00 51.96 52.51 1kel s ALA 23 Cb -0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1kel s ALA 23 CO -0.28 -0.14 -0.20 0.95 0.00 0.00 0.00 175.76 176.09 1kel s THR 24 N 0.80 2.36 0.08 0.00 -4.23 -0.67 0.01 115.64 113.98 1kel s THR 24 Ca 0.44 -2.32 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1kel s THR 24 Cb -0.19 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1kel s THR 24 CO 0.23 -0.38 0.81 -0.94 -0.54 0.00 0.00 174.62 173.80 1kel s SER 25 N -3.35 -0.39 0.00 3.99 1.04 -0.67 -4.86 113.70 109.46 1kel s SER 25 Ca 0.27 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1kel s SER 25 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1kel s SER 25 CO 0.13 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1kel n GLY 26 N -0.32 0.75 3.73 7.32 0.00 -1.26 -0.37 105.19 115.04 1kel n GLY 26 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1kel n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kel s PHE 27 N -2.44 -0.14 -0.70 1.61 -0.71 -1.26 -4.27 117.98 110.06 1kel s PHE 27 Ca 0.00 -0.14 -0.27 0.00 -1.04 0.00 0.00 56.93 55.48 1kel s PHE 27 Cb 0.00 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.46 1kel s PHE 27 CO 0.00 -0.78 1.29 0.99 -1.34 0.00 0.00 175.22 175.39 1kel s THR 28 N -3.22 3.76 0.19 -4.49 2.01 -1.26 -4.92 115.64 107.71 1kel s THR 28 Ca 0.12 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 1kel s THR 28 Cb -0.01 -4.83 0.16 0.00 0.01 0.00 0.00 72.50 67.83 1kel s THR 28 CO 0.01 -1.71 1.60 0.15 -0.69 0.00 0.00 174.62 173.99 1kel h PHE 29 N 10.18 -0.68 0.00 4.92 3.57 -1.96 -1.75 116.94 131.21 1kel h PHE 29 Ca -0.27 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1kel h PHE 29 Cb 1.06 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1kel h PHE 29 CO 1.11 -0.34 0.00 0.25 -2.23 0.00 0.00 178.31 177.10 1kel n THR 30 N -5.44 0.97 0.29 4.41 -2.24 -1.26 -1.48 114.28 109.53 1kel n THR 30 Ca 0.05 0.47 0.14 0.00 -2.27 0.00 0.00 64.05 62.44 1kel n THR 30 Cb 0.35 -1.42 0.42 0.00 -2.10 0.00 0.00 70.33 67.57 1kel n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kel h ASP 31 N 0.00 0.00 -3.25 3.42 3.32 -1.73 -1.85 116.42 116.33 1kel h ASP 31 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1kel h ASP 31 Cb 0.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.63 1kel h ASP 31 CO 0.00 0.00 -0.63 -0.31 -1.72 0.00 0.00 179.24 176.58 1kel s TYR 32 N -3.40 3.11 0.48 4.55 1.51 -0.55 -4.77 117.35 118.28 1kel s TYR 32 Ca 0.05 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 1kel s TYR 32 Cb 0.07 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.27 1kel s TYR 32 CO 0.59 0.50 0.86 0.71 -1.11 0.00 0.00 175.55 177.11 1kel s TYR 33 N -1.34 3.51 -0.01 2.71 1.51 -0.87 -3.87 117.35 118.99 1kel s TYR 33 Ca 0.27 1.13 0.03 0.00 -1.01 0.00 0.00 57.07 57.49 1kel s TYR 33 Cb -0.12 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.19 1kel s TYR 33 CO 0.20 -0.29 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.19 1kel s PHE 34 N -2.63 0.86 0.11 2.71 0.08 0.02 -0.82 117.98 118.31 1kel s PHE 34 Ca 0.53 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.50 1kel s PHE 34 Cb -0.10 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 1kel s PHE 34 CO 0.38 -0.01 -0.17 -0.80 -0.10 0.00 0.00 175.22 174.52 1kel s ASN 35 N -0.24 3.98 -0.05 1.36 0.01 0.19 -1.16 114.94 119.03 1kel s ASN 35 Ca 0.04 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 51.73 1kel s ASN 35 Cb -0.04 -0.61 -0.01 0.00 0.41 0.00 0.00 41.25 41.01 1kel s ASN 35 CO -0.00 0.18 -0.23 0.26 -1.51 0.00 0.00 177.10 175.80 1kel s TRP 36 N -1.14 2.26 0.04 2.20 0.52 -0.77 -1.26 118.94 120.79 1kel s TRP 36 Ca 0.18 -0.66 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 1kel s TRP 36 Cb -0.11 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1kel s TRP 36 CO 0.10 -0.20 -0.03 0.00 0.02 0.00 0.00 176.95 176.84 1kel s ALA 37 N -0.12 0.42 0.01 0.98 0.00 -0.25 -0.71 121.76 122.09 1kel s ALA 37 Ca -0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1kel s ALA 37 Cb -0.13 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1kel s ALA 37 CO 0.03 -0.33 0.00 -0.98 0.00 0.00 0.00 175.76 174.49 1kel s ARG 38 N -3.40 0.22 -0.26 0.00 1.70 0.32 0.02 118.95 117.55 1kel s ARG 38 Ca 0.02 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 1kel s ARG 38 Cb 0.04 0.08 0.08 0.00 -0.57 0.00 0.00 34.95 34.58 1kel s ARG 38 CO -0.08 -0.04 0.01 -1.14 -1.08 0.00 0.00 175.30 172.97 1kel s GLN 39 N -0.93 1.25 0.37 3.89 0.74 0.01 -0.36 119.66 124.62 1kel s GLN 39 Ca -0.10 -1.07 -0.27 0.00 0.05 0.00 0.00 55.36 53.97 1kel s GLN 39 Cb -0.06 -2.47 -0.09 0.00 1.10 0.00 0.00 33.01 31.48 1kel s GLN 39 CO -0.00 -0.75 1.25 -2.14 -0.55 0.00 0.00 175.29 173.09 1kel s PRO 40 N 1.44 4.18 0.18 1.67 0.02 -1.26 -1.67 135.00 139.55 1kel s PRO 40 Ca 0.01 2.06 -0.33 0.00 0.02 0.00 0.00 61.00 62.76 1kel s PRO 40 Cb -0.18 -2.88 -0.13 0.00 0.02 0.00 0.00 34.50 31.33 1kel s PRO 40 CO -0.11 -0.28 1.66 -2.30 -0.33 0.00 0.00 177.00 175.64 1kel n PRO 41 N 0.44 2.47 -1.07 5.54 -0.02 -1.26 -0.56 135.00 140.53 1kel n PRO 41 Ca 0.02 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.37 1kel n PRO 41 Cb 0.44 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 1kel n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kel n GLY 42 N 3.71 0.57 3.36 -1.23 0.00 -1.26 -5.02 105.19 105.33 1kel n GLY 42 Ca 0.17 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1kel n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kel s LYS 43 N -1.52 1.62 0.62 1.61 3.01 0.27 -5.16 119.74 120.18 1kel s LYS 43 Ca 0.00 -1.93 -0.13 0.00 -1.01 0.00 0.00 55.97 52.90 1kel s LYS 43 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 37.83 36.59 1kel s LYS 43 CO 0.00 -0.43 1.03 0.00 0.51 0.00 0.00 175.35 176.46 1kel s ALA 44 N -3.56 2.91 0.28 5.17 0.00 -1.26 -4.53 121.76 120.76 1kel s ALA 44 Ca 0.35 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1kel s ALA 44 Cb 0.05 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1kel s ALA 44 CO 0.17 -0.77 1.29 -1.17 0.00 0.00 0.00 175.76 175.27 1kel s LEU 45 N -4.94 4.44 -0.06 0.00 2.96 -1.26 -4.30 118.68 115.53 1kel s LEU 45 Ca 0.58 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 57.05 1kel s LEU 45 Cb -0.13 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1kel s LEU 45 CO 0.47 -0.49 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.22 1kel s GLU 46 N -1.14 1.34 0.17 1.98 2.12 0.51 -4.97 118.70 118.71 1kel s GLU 46 Ca 0.51 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 1kel s GLU 46 Cb -0.38 -1.17 -0.07 0.00 0.26 0.00 0.00 34.13 32.77 1kel s GLU 46 CO 0.46 -0.01 1.08 -0.46 -0.54 0.00 0.00 175.26 175.80 1kel s TRP 47 N 0.74 3.62 -0.15 5.30 -0.00 -1.26 -0.52 118.94 126.66 1kel s TRP 47 Ca -0.13 1.63 0.02 0.00 -0.00 0.00 0.00 56.10 57.61 1kel s TRP 47 Cb -0.15 -3.25 -0.10 0.00 -0.00 0.00 0.00 33.47 29.97 1kel s TRP 47 CO 0.02 -0.50 -0.12 1.28 -0.00 0.00 0.00 176.95 177.63 1kel n LEU 48 N 2.37 2.81 0.00 5.86 4.77 0.11 -4.61 117.00 128.32 1kel n LEU 48 Ca 0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1kel n LEU 48 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1kel n LEU 48 CO 0.53 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1kel n GLY 49 N 2.75 0.98 3.16 -0.72 0.00 -1.20 -0.14 105.19 110.01 1kel n GLY 49 Ca -0.26 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1kel n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kel s PHE 50 N -2.00 0.90 -0.04 1.61 -0.12 -0.29 -1.85 117.98 116.19 1kel s PHE 50 Ca 0.00 -1.22 0.04 0.00 -0.05 0.00 0.00 56.93 55.69 1kel s PHE 50 Cb 0.00 -0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 41.89 1kel s PHE 50 CO 0.00 -0.50 -0.15 -1.50 -0.05 0.00 0.00 175.22 173.02 1kel s ILE 51 N -4.02 1.27 0.92 -4.49 2.07 -0.31 -1.95 121.20 114.69 1kel s ILE 51 Ca 0.25 -0.63 -0.13 0.00 -1.41 0.00 0.00 60.65 58.72 1kel s ILE 51 Cb 0.07 -1.10 0.18 0.00 0.13 0.00 0.00 42.46 41.75 1kel s ILE 51 CO 0.02 0.37 1.26 -0.13 -1.91 0.00 0.00 174.94 174.56 1kel s ARG 52 N 0.07 0.88 0.24 3.50 0.52 0.11 -0.80 118.95 123.48 1kel s ARG 52 Ca -0.04 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1kel s ARG 52 Cb -0.11 -1.93 0.06 0.00 0.52 0.00 0.00 34.95 33.49 1kel s ARG 52 CO 0.02 -2.22 0.33 0.27 0.02 0.00 0.00 175.30 173.72 1kel n ASN 53 N -3.60 0.05 -0.16 0.23 2.04 -1.25 -3.90 115.26 108.67 1kel n ASN 53 Ca 0.15 -1.13 -0.09 0.00 -0.44 0.00 0.00 54.58 53.07 1kel n ASN 53 Cb 0.60 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 1kel n ASN 53 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1kel h LYS 54 N 0.00 0.70 -0.18 -3.83 3.64 -1.63 0.18 116.57 115.44 1kel h LYS 54 Ca -0.11 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1kel h LYS 54 Cb 0.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1kel h LYS 54 CO 0.08 0.64 0.13 0.00 -2.27 0.00 0.00 179.45 178.02 1kel h ALA 55 N 1.02 2.10 -0.58 5.00 0.00 -1.94 0.17 119.26 125.03 1kel h ALA 55 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1kel h ALA 55 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kel h ALA 55 CO -0.01 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.72 1kel n LYS 56 N -4.49 2.49 -1.15 0.00 4.76 -0.99 -4.94 118.16 113.83 1kel n LYS 56 Ca 0.01 -2.30 -0.05 0.00 -2.87 0.00 0.00 58.31 53.10 1kel n LYS 56 Cb 0.22 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1kel n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kel n GLY 57 N 1.52 0.77 2.40 0.72 0.00 0.05 -3.61 105.19 107.04 1kel n GLY 57 Ca 0.21 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 1kel n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kel n TYR 58 N -2.80 -0.88 -0.98 1.61 4.01 0.58 -4.97 117.16 113.74 1kel n TYR 58 Ca -0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.40 1kel n TYR 58 Cb 0.20 -3.45 0.18 0.00 -0.31 0.00 0.00 39.34 35.96 1kel n TYR 58 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1kel s THR 59 N -2.80 2.25 0.16 -0.72 -4.23 -1.24 -4.35 115.64 104.72 1kel s THR 59 Ca 0.00 0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1kel s THR 59 Cb 0.00 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1kel s THR 59 CO 0.00 -0.10 -0.16 0.42 -0.54 0.00 0.00 174.62 174.24 1kel s THR 60 N -2.80 1.66 0.01 3.99 -4.23 -1.26 -0.71 115.64 112.30 1kel s THR 60 Ca 0.66 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1kel s THR 60 Cb -0.20 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 1kel s THR 60 CO 0.59 -0.43 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.58 1kel s GLU 61 N -3.02 0.38 0.12 3.99 0.41 -0.82 -5.00 118.70 114.75 1kel s GLU 61 Ca 0.16 -0.39 0.03 0.00 -0.41 0.00 0.00 54.97 54.37 1kel s GLU 61 Cb -0.04 -0.25 -0.04 0.00 -1.78 0.00 0.00 34.13 32.02 1kel s GLU 61 CO 0.06 0.06 -0.09 0.71 -0.49 0.00 0.00 175.26 175.50 1kel s TYR 62 N -0.65 1.10 0.65 1.61 2.02 -1.26 -1.13 117.35 119.68 1kel s TYR 62 Ca -0.04 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 55.77 1kel s TYR 62 Cb -0.05 -0.59 -0.02 0.00 -0.40 0.00 0.00 41.96 40.90 1kel s TYR 62 CO -0.00 -0.01 1.04 -1.54 -1.57 0.00 0.00 175.55 173.48 1kel s SER 63 N -2.93 5.81 0.38 2.29 1.04 0.80 -4.81 113.70 116.28 1kel s SER 63 Ca 0.12 1.55 0.13 0.00 0.48 0.00 0.00 55.95 58.22 1kel s SER 63 Cb 0.02 -2.49 0.76 0.00 0.10 0.00 0.00 66.02 64.41 1kel s SER 63 CO -0.01 -1.16 1.85 0.00 0.98 0.00 0.00 173.24 174.90 1kel h ALA 64 N -0.41 1.43 0.00 5.32 0.00 -1.93 -0.18 119.26 123.49 1kel h ALA 64 Ca -0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1kel h ALA 64 Cb 1.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1kel h ALA 64 CO 0.59 0.43 -0.08 0.66 0.00 0.00 0.00 179.25 180.85 1kel h SER 65 N 0.02 0.00 0.00 0.00 4.64 -1.94 -3.31 113.55 112.95 1kel h SER 65 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kel h SER 65 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1kel h SER 65 CO 0.04 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.41 1kel n VAL 66 N -3.88 0.00 -1.59 0.95 0.24 -1.11 -5.02 118.33 107.93 1kel n VAL 66 Ca -0.02 -0.25 -0.49 0.00 -2.04 0.00 0.00 64.34 61.54 1kel n VAL 66 Cb 0.17 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 1kel n VAL 66 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1kel n LYS 67 N -0.42 1.28 0.00 7.34 4.81 -0.10 -0.63 118.16 130.45 1kel n LYS 67 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1kel n LYS 67 Cb 0.02 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1kel n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kel n GLY 68 N 2.13 2.41 0.01 3.14 0.00 -1.26 -4.77 105.19 106.84 1kel n GLY 68 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1kel n GLY 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kel n ARG 69 N -2.00 2.54 -4.30 1.61 0.63 0.20 -5.03 116.66 110.31 1kel n ARG 69 Ca 0.00 -0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1kel n ARG 69 Cb 0.00 -1.04 -0.09 0.00 0.45 0.00 0.00 32.46 31.77 1kel n ARG 69 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1kel s PHE 70 N -2.07 2.62 -0.04 -0.14 0.40 -0.74 -1.86 117.98 116.16 1kel s PHE 70 Ca -0.01 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1kel s PHE 70 Cb 0.01 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1kel s PHE 70 CO 0.07 0.52 -0.06 0.99 0.70 0.00 0.00 175.22 177.44 1kel s THR 71 N -1.75 0.61 -0.14 0.64 2.01 0.10 -4.86 115.64 112.26 1kel s THR 71 Ca 0.25 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 1kel s THR 71 Cb -0.09 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1kel s THR 71 CO 0.15 0.23 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.66 1kel s ILE 72 N 0.68 4.02 0.18 1.82 1.01 -1.26 0.18 121.20 127.83 1kel s ILE 72 Ca -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1kel s ILE 72 Cb -0.13 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1kel s ILE 72 CO 0.01 0.51 0.20 -0.94 0.00 0.00 0.00 174.94 174.72 1kel s SER 73 N 0.13 0.13 -0.09 3.58 1.04 -0.94 -5.00 113.70 112.54 1kel s SER 73 Ca -0.00 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.16 1kel s SER 73 Cb -0.13 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1kel s SER 73 CO 0.02 -0.87 0.27 0.00 0.98 0.00 0.00 173.24 173.64 1kel s ARG 74 N -4.07 0.35 -0.46 4.02 1.70 -1.26 -0.22 118.95 119.01 1kel s ARG 74 Ca 0.28 0.32 -0.11 0.00 -0.47 0.00 0.00 55.73 55.75 1kel s ARG 74 Cb 0.05 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1kel s ARG 74 CO 0.07 -0.05 0.34 0.34 -1.08 0.00 0.00 175.30 174.91 1kel s ASP 75 N -0.00 5.81 0.55 -2.89 -1.08 0.56 -4.96 116.67 114.65 1kel s ASP 75 Ca -0.01 -1.62 0.33 0.00 -0.52 0.00 0.00 52.55 50.73 1kel s ASP 75 Cb -0.02 -2.05 1.35 0.00 -1.46 0.00 0.00 42.92 40.73 1kel s ASP 75 CO 0.01 -0.64 1.98 0.78 0.52 0.00 0.00 175.17 177.82 1kel h ASN 76 N 8.54 0.00 0.68 -0.34 2.35 -1.97 0.48 115.58 125.31 1kel h ASN 76 Ca -0.24 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.24 1kel h ASN 76 Cb 1.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 1kel h ASN 76 CO 0.84 0.00 -1.32 0.28 -1.65 0.00 0.00 177.43 175.58 1kel h SER 77 N 0.00 0.21 0.24 5.81 0.02 -1.96 -3.33 113.55 114.55 1kel h SER 77 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1kel h SER 77 Cb 0.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1kel h SER 77 CO 0.00 1.22 -1.31 0.00 -1.14 0.00 0.00 176.83 175.60 1kel n GLN 78 N -3.38 0.36 -2.44 3.45 6.02 -0.98 -4.98 117.38 115.44 1kel n GLN 78 Ca -0.09 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.74 1kel n GLN 78 Cb 1.01 -1.56 0.01 0.00 1.02 0.00 0.00 30.24 30.71 1kel n GLN 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kel n GLY 79 N 1.35 0.08 3.39 1.08 0.00 0.16 -4.78 105.19 106.48 1kel n GLY 79 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1kel n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kel s ILE 80 N -2.68 2.68 -0.07 -0.61 1.01 -1.03 -1.67 121.20 118.83 1kel s ILE 80 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1kel s ILE 80 Cb -0.04 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1kel s ILE 80 CO 0.10 0.58 -0.05 -0.22 0.00 0.00 0.00 174.94 175.35 1kel s LEU 81 N -0.46 3.25 0.17 2.97 2.96 0.39 -0.32 118.68 127.64 1kel s LEU 81 Ca 0.05 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1kel s LEU 81 Cb -0.12 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1kel s LEU 81 CO 0.02 0.37 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.91 1kel s TYR 82 N -0.83 1.85 -0.26 5.38 2.02 0.70 0.26 117.35 126.48 1kel s TYR 82 Ca 0.13 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1kel s TYR 82 Cb -0.11 -0.92 0.08 0.00 -0.40 0.00 0.00 41.96 40.61 1kel s TYR 82 CO 0.02 0.34 0.06 -1.17 -1.57 0.00 0.00 175.55 173.23 1kel s LEU 83 N -2.67 1.79 -0.34 -1.29 2.96 -0.21 -2.22 118.68 116.69 1kel s LEU 83 Ca 0.16 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.61 1kel s LEU 83 Cb -0.06 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.86 1kel s LEU 83 CO 0.07 -0.35 0.65 -1.58 -1.32 0.00 0.00 176.35 173.82 1kel s GLN 84 N 1.71 3.75 -0.30 1.98 2.00 0.13 -0.66 119.66 128.27 1kel s GLN 84 Ca 0.04 0.16 -0.08 0.00 -2.00 0.00 0.00 55.36 53.48 1kel s GLN 84 Cb -0.17 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 29.85 1kel s GLN 84 CO -0.17 -0.71 0.11 -1.64 -0.50 0.00 0.00 175.29 172.39 1kel s MET 85 N 2.73 3.21 0.17 1.67 -1.94 0.34 0.01 119.30 125.49 1kel s MET 85 Ca 0.26 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.50 1kel s MET 85 Cb -0.14 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 1kel s MET 85 CO 0.14 -0.43 0.14 -0.80 -0.01 0.00 0.00 175.02 174.06 1kel s ASN 86 N 1.56 5.49 -1.09 3.03 0.01 -0.78 -1.34 114.94 121.83 1kel s ASN 86 Ca 0.04 -0.15 -0.22 0.00 -0.71 0.00 0.00 52.86 51.81 1kel s ASN 86 Cb -0.17 -1.42 0.02 0.00 0.41 0.00 0.00 41.25 40.09 1kel s ASN 86 CO 0.04 0.06 0.70 0.41 -1.51 0.00 0.00 177.10 176.80 1kel n THR 87 N -0.41 -3.99 -1.61 1.60 -1.04 0.06 -4.83 114.28 104.07 1kel n THR 87 Ca -0.08 -0.55 -0.45 0.00 -2.04 0.00 0.00 64.05 60.93 1kel n THR 87 Cb 0.55 -3.16 -0.02 0.00 -1.82 0.00 0.00 70.33 65.88 1kel n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kel n LEU 88 N -4.17 2.17 -4.47 -4.42 4.77 -0.33 -4.54 117.00 106.01 1kel n LEU 88 Ca -0.15 1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 56.77 1kel n LEU 88 Cb 0.60 -1.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 1kel n LEU 88 CO 0.69 -1.14 -0.40 -0.13 -1.33 0.00 0.00 177.39 175.08 1kel s ARG 89 N -1.26 1.65 0.43 3.23 0.52 -1.26 -0.44 118.95 121.81 1kel s ARG 89 Ca 0.62 -1.81 0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1kel s ARG 89 Cb -0.70 -1.47 0.92 0.00 0.52 0.00 0.00 34.95 34.22 1kel s ARG 89 CO 0.58 0.15 2.01 0.00 0.02 0.00 0.00 175.30 178.06 1kel h ALA 90 N 2.22 1.68 0.00 2.13 0.00 -1.96 -0.87 119.26 122.46 1kel h ALA 90 Ca -0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1kel h ALA 90 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1kel h ALA 90 CO 0.66 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 179.31 1kel n GLU 91 N -4.40 0.01 0.00 0.00 0.28 -1.26 -1.18 120.64 114.09 1kel n GLU 91 Ca -0.00 0.34 0.13 0.00 -0.16 0.00 0.00 57.16 57.48 1kel n GLU 91 Cb 0.16 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.03 1kel n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1kel n ASP 92 N -1.49 0.52 -4.63 -1.84 8.00 -0.33 -4.79 116.55 111.99 1kel n ASP 92 Ca 0.02 -0.44 -0.43 0.00 0.71 0.00 0.00 54.79 54.66 1kel n ASP 92 Cb 0.10 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1kel n ASP 92 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1kel s SER 93 N -2.65 6.32 0.02 -2.24 0.01 -0.33 -4.80 113.70 110.03 1kel s SER 93 Ca 0.23 1.76 -0.28 0.00 1.31 0.00 0.00 55.95 58.96 1kel s SER 93 Cb 0.19 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 64.00 1kel s SER 93 CO 0.53 -1.29 1.23 0.00 0.41 0.00 0.00 173.24 174.13 1kel s ALA 94 N 5.35 -2.19 -0.22 1.44 0.00 -0.46 -4.48 121.76 121.21 1kel s ALA 94 Ca 0.75 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1kel s ALA 94 Cb -0.27 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1kel s ALA 94 CO 0.31 -1.08 0.21 0.99 0.00 0.00 0.00 175.76 176.19 1kel s THR 95 N -2.34 5.33 -0.12 0.00 2.01 -0.67 -1.02 115.64 118.83 1kel s THR 95 Ca 0.20 0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 1kel s THR 95 Cb 0.02 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1kel s THR 95 CO -0.01 0.35 0.11 -0.31 -0.69 0.00 0.00 174.62 174.06 1kel s TYR 96 N 0.91 3.47 0.03 4.92 1.51 0.65 -0.81 117.35 128.02 1kel s TYR 96 Ca 0.11 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.64 1kel s TYR 96 Cb -0.13 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1kel s TYR 96 CO 0.04 0.60 -0.17 0.71 -1.11 0.00 0.00 175.55 175.62 1kel s TYR 97 N -0.78 1.53 0.16 2.71 2.02 0.10 -1.05 117.35 122.03 1kel s TYR 97 Ca 0.13 -0.34 0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1kel s TYR 97 Cb -0.12 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1kel s TYR 97 CO 0.03 0.04 -0.09 0.00 -1.57 0.00 0.00 175.55 173.96 1kel s ALA 99 N -1.54 -1.64 0.65 0.00 0.00 -0.38 -1.55 121.76 117.29 1kel s ALA 99 Ca 0.24 1.96 -0.11 0.00 0.00 0.00 0.00 51.96 54.05 1kel s ALA 99 Cb -0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1kel s ALA 99 CO 0.15 -0.32 1.06 -0.98 0.00 0.00 0.00 175.76 175.66 1kel s ARG 100 N 0.71 3.31 -0.03 0.00 1.70 -1.13 0.54 118.95 124.04 1kel s ARG 100 Ca -0.03 0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 55.85 1kel s ARG 100 Cb -0.05 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 32.29 1kel s ARG 100 CO -0.05 -0.75 0.08 -0.46 -1.08 0.00 0.00 175.30 173.04 1kel s TRP 101 N -3.25 -0.07 0.00 5.89 -0.00 -0.00 -3.80 118.94 117.70 1kel s TRP 101 Ca 0.56 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 1kel s TRP 101 Cb -0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.31 1kel s TRP 101 CO 0.53 -0.08 0.00 0.41 -0.00 0.00 0.00 176.95 177.81 1kel n GLY 102 N 3.55 3.67 0.36 5.86 0.00 -1.14 -2.05 105.19 115.44 1kel n GLY 102 Ca -0.19 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1kel n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kel h SER 103 N 0.00 0.86 -0.51 1.61 4.64 -2.00 -0.06 113.55 118.08 1kel h SER 103 Ca 0.00 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1kel h SER 103 Cb 0.00 -0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 61.80 1kel h SER 103 CO 0.00 0.58 0.20 -1.22 -0.87 0.00 0.00 176.83 175.52 1kel n TYR 104 N -4.46 1.70 -3.42 4.77 4.01 -1.26 -5.05 117.16 113.46 1kel n TYR 104 Ca 0.11 -0.91 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1kel n TYR 104 Cb 0.13 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1kel n TYR 104 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kel n ALA 105 N -0.05 0.00 -2.23 -0.72 0.00 -0.04 -3.38 120.51 114.10 1kel n ALA 105 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1kel n ALA 105 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1kel n ALA 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kel n MET 106 N 0.00 3.06 0.15 0.00 2.81 -1.25 -2.90 117.12 118.99 1kel n MET 106 Ca 0.00 -3.01 0.03 0.00 -1.81 0.00 0.00 57.70 52.92 1kel n MET 106 Cb 0.00 -3.40 0.07 0.00 -0.71 0.00 0.00 33.22 29.18 1kel n MET 106 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1kel h ASP 107 N 6.89 0.00 -3.30 7.83 2.03 -1.69 -3.44 116.42 124.74 1kel h ASP 107 Ca 0.50 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.28 1kel h ASP 107 Cb 0.77 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 38.92 1kel h ASP 107 CO 1.64 0.47 -0.81 -0.31 -1.03 0.00 0.00 179.24 179.20 1kel s TYR 108 N -3.04 1.46 0.18 4.15 1.51 -1.26 -5.09 117.35 115.25 1kel s TYR 108 Ca 0.04 -0.64 0.11 0.00 -1.01 0.00 0.00 57.07 55.57 1kel s TYR 108 Cb 0.08 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1kel s TYR 108 CO 0.73 -0.40 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.00 1kel s TRP 109 N 1.19 2.39 0.92 2.71 0.52 -1.26 -2.84 118.94 122.58 1kel s TRP 109 Ca -0.05 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 55.61 1kel s TRP 109 Cb -0.14 -1.19 0.18 0.00 -1.15 0.00 0.00 33.47 31.17 1kel s TRP 109 CO -0.02 0.49 1.28 0.20 0.02 0.00 0.00 176.95 178.92 1kel s GLY 110 N -2.66 1.76 0.00 0.98 0.00 -0.59 -4.75 107.32 102.05 1kel s GLY 110 Ca 0.21 -1.16 0.27 0.00 0.00 0.00 0.00 44.72 44.04 1kel s GLY 110 CO 0.11 -0.45 1.72 0.61 0.00 0.00 0.00 173.10 175.09 1kel n GLN 111 N -3.64 0.13 0.00 2.90 0.00 -1.26 -4.80 117.38 110.71 1kel n GLN 111 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1kel n GLN 111 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1kel n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kel n GLY 112 N 1.46 -0.25 2.79 2.61 0.00 -1.26 -5.03 105.19 105.51 1kel n GLY 112 Ca 0.08 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 1kel n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kel s THR 113 N -3.00 0.03 -0.00 2.61 -1.32 -0.22 -4.71 115.64 109.03 1kel s THR 113 Ca 0.00 0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.46 1kel s THR 113 Cb 0.00 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.77 1kel s THR 113 CO 0.00 0.12 0.57 -0.55 -2.21 0.00 0.00 174.62 172.55 1kel s SER 114 N 1.10 6.96 -0.03 8.08 0.15 -1.26 -0.25 113.70 128.45 1kel s SER 114 Ca -0.09 1.14 0.05 0.00 0.70 0.00 0.00 55.95 57.76 1kel s SER 114 Cb -0.13 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1kel s SER 114 CO -0.03 0.13 -0.19 -0.69 1.20 0.00 0.00 173.24 173.66 1kel s VAL 115 N -0.31 1.55 -0.16 4.45 1.01 -0.19 -1.02 120.40 125.73 1kel s VAL 115 Ca 0.30 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1kel s VAL 115 Cb -0.18 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 34.95 1kel s VAL 115 CO 0.17 0.44 0.03 -0.89 0.00 0.00 0.00 175.10 174.84 1kel s THR 116 N -0.26 0.46 -0.46 3.92 2.01 -0.24 -1.35 115.64 119.71 1kel s THR 116 Ca 0.03 -0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 1kel s THR 116 Cb -0.09 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.57 1kel s THR 116 CO 0.01 -0.08 0.67 -0.69 -0.69 0.00 0.00 174.62 173.84 1kel s VAL 117 N 1.90 4.79 0.01 3.82 1.01 -1.26 -0.05 120.40 130.62 1kel s VAL 117 Ca 0.01 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1kel s VAL 117 Cb -0.16 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1kel s VAL 117 CO -0.07 -0.67 0.57 -0.55 0.00 0.00 0.00 175.10 174.38 1kel s SER 118 N 2.16 -0.52 0.00 3.32 0.15 0.04 -4.54 113.70 114.32 1kel s SER 118 Ca 0.23 0.38 0.19 0.00 0.70 0.00 0.00 55.95 57.45 1kel s SER 118 Cb -0.14 0.50 0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1kel s SER 118 CO 0.18 -0.67 1.07 -1.54 1.20 0.00 0.00 173.24 173.49 1kel n SER 119 N 0.63 2.39 -4.60 5.45 3.41 -1.26 -4.40 113.62 115.24 1kel n SER 119 Ca -0.19 -1.69 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 1kel n SER 119 Cb 0.59 0.14 0.20 0.00 -0.26 0.00 0.00 64.21 64.89 1kel n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kel s ALA 120 N -1.80 0.48 0.18 7.33 0.00 -1.26 -5.06 121.76 121.63 1kel s ALA 120 Ca 0.21 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.19 1kel s ALA 120 Cb 0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1kel s ALA 120 CO 0.32 -3.20 -0.15 0.15 0.00 0.00 0.00 175.76 172.88 1kel s LYS 121 N -4.68 1.24 0.21 0.00 -0.14 -1.26 -5.09 119.74 110.01 1kel s LYS 121 Ca 0.67 -1.47 -0.31 0.00 -1.36 0.00 0.00 55.97 53.49 1kel s LYS 121 Cb -0.22 -1.08 -0.15 0.00 -1.68 0.00 0.00 37.83 34.70 1kel s LYS 121 CO 0.61 0.19 1.08 2.41 -0.76 0.00 0.00 175.35 178.88 1kel n THR 122 N -0.05 1.27 -3.66 2.17 -1.04 -1.26 -4.67 114.28 107.04 1kel n THR 122 Ca -0.11 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.05 61.52 1kel n THR 122 Cb 0.59 -0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 1kel n THR 122 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1kel s THR 123 N -0.48 -0.53 0.69 12.58 2.01 0.52 -4.92 115.64 125.51 1kel s THR 123 Ca 0.69 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.64 1kel s THR 123 Cb -0.82 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1kel s THR 123 CO 0.55 0.04 1.12 -2.84 -0.69 0.00 0.00 174.62 172.79 1kel s PRO 124 N 2.32 2.60 0.38 4.92 0.02 -1.26 -1.80 135.00 142.18 1kel s PRO 124 Ca -0.05 1.39 -0.02 0.00 0.02 0.00 0.00 61.00 62.34 1kel s PRO 124 Cb -0.10 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1kel s PRO 124 CO -0.15 -1.41 0.62 -1.25 -0.33 0.00 0.00 177.00 174.48 1kel s PRO 125 N -4.22 3.53 -0.16 5.54 0.04 -1.26 -4.40 135.00 134.07 1kel s PRO 125 Ca 0.67 -0.10 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 1kel s PRO 125 Cb -0.21 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1kel s PRO 125 CO 0.45 0.06 0.32 -1.12 0.04 0.00 0.00 177.00 176.74 1kel s SER 126 N -3.88 6.46 -0.28 6.66 0.01 0.19 -4.88 113.70 117.98 1kel s SER 126 Ca 0.43 0.54 -0.09 0.00 1.31 0.00 0.00 55.95 58.14 1kel s SER 126 Cb -0.10 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 1kel s SER 126 CO 0.37 0.07 0.12 -0.69 0.41 0.00 0.00 173.24 173.52 1kel s VAL 127 N 0.57 4.55 -0.10 3.43 1.01 -1.26 -1.13 120.40 127.47 1kel s VAL 127 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1kel s VAL 127 Cb -0.13 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1kel s VAL 127 CO 0.05 0.21 -0.14 -0.31 0.00 0.00 0.00 175.10 174.91 1kel s TYR 128 N 1.63 2.75 0.28 5.22 2.02 0.44 -4.96 117.35 124.73 1kel s TYR 128 Ca 0.06 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 1kel s TYR 128 Cb -0.16 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.55 1kel s TYR 128 CO 0.06 -0.08 1.15 -1.25 -1.57 0.00 0.00 175.55 173.86 1kel s PRO 129 N -0.04 4.57 -0.34 -1.71 0.04 -1.26 -0.77 135.00 135.49 1kel s PRO 129 Ca -0.03 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1kel s PRO 129 Cb -0.14 -3.17 0.09 0.00 0.04 0.00 0.00 34.50 31.32 1kel s PRO 129 CO 0.04 0.11 0.05 -0.51 0.04 0.00 0.00 177.00 176.73 1kel s LEU 130 N -1.39 4.54 0.03 -3.56 1.43 0.38 -4.86 118.68 115.24 1kel s LEU 130 Ca 0.46 -1.86 0.09 0.00 -1.03 0.00 0.00 54.13 51.79 1kel s LEU 130 Cb -0.34 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1kel s LEU 130 CO 0.43 -0.37 -0.25 0.00 0.23 0.00 0.00 176.35 176.38 1kel s ALA 131 N 1.05 2.27 0.60 4.21 0.00 -1.26 -1.89 121.76 126.74 1kel s ALA 131 Ca 0.04 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1kel s ALA 131 Cb -0.20 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1kel s ALA 131 CO -0.05 0.54 1.29 -1.25 0.00 0.00 0.00 175.76 176.28 1kel s PRO 132 N -1.11 2.86 0.83 0.00 0.04 -1.26 -4.97 135.00 131.39 1kel s PRO 132 Ca 0.12 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 1kel s PRO 132 Cb -0.10 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1kel s PRO 132 CO 0.02 -1.35 1.07 0.41 0.04 0.00 0.00 177.00 177.18 1kel n GLY 133 N 0.75 -0.37 0.28 0.56 0.00 -1.26 -4.92 105.19 100.23 1kel n GLY 133 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1kel n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kel h SER 134 N -1.06 0.65 -3.40 1.61 4.64 -2.02 -3.30 113.55 110.66 1kel h SER 134 Ca -0.45 0.02 -0.73 0.00 -0.47 0.00 0.00 61.79 60.16 1kel h SER 134 Cb 1.30 -0.11 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 1kel h SER 134 CO 0.44 0.42 -0.37 0.00 -0.87 0.00 0.00 176.83 176.46 1kel s ALA 135 N -6.09 3.52 -0.30 5.18 0.00 -1.26 -4.96 121.76 117.84 1kel s ALA 135 Ca -0.13 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.78 1kel s ALA 135 Cb 0.16 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.46 1kel s ALA 135 CO 0.77 -1.60 1.04 0.00 0.00 0.00 0.00 175.76 175.96 1kel s ALA 136 N 1.70 -2.80 0.45 0.00 0.00 -1.25 -5.16 121.76 114.70 1kel s ALA 136 Ca 0.05 2.01 -0.23 0.00 0.00 0.00 0.00 51.96 53.79 1kel s ALA 136 Cb -0.21 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 20.71 1kel s ALA 136 CO 0.09 -0.96 0.90 0.00 0.00 0.00 0.00 175.76 175.78 1kel n GLN 137 N 4.91 1.10 -0.62 0.00 -0.00 -1.26 -4.97 117.38 116.54 1kel n GLN 137 Ca -0.09 0.40 -0.28 0.00 -0.00 0.00 0.00 57.00 57.03 1kel n GLN 137 Cb 0.53 -1.95 0.24 0.00 -0.00 0.00 0.00 30.24 29.07 1kel n GLN 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1kel s THR 138 N -1.36 2.02 0.25 -0.39 2.01 -1.26 -5.06 115.64 111.84 1kel s THR 138 Ca 0.65 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 1kel s THR 138 Cb -0.54 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1kel s THR 138 CO 0.56 -0.01 0.64 0.54 -0.69 0.00 0.00 174.62 175.66 1kel s ASN 139 N -2.64 -0.26 0.09 3.53 2.20 -1.26 -5.05 114.94 111.55 1kel s ASN 139 Ca 0.68 -0.60 -0.13 0.00 -0.94 0.00 0.00 52.86 51.87 1kel s ASN 139 Cb -0.24 0.67 -0.20 0.00 -2.00 0.00 0.00 41.25 39.48 1kel s ASN 139 CO 0.64 -1.24 1.23 -1.28 -2.94 0.00 0.00 177.10 173.51 1kel h SER 140 N 2.07 0.91 -2.76 3.54 0.87 -1.97 -3.41 113.55 112.80 1kel h SER 140 Ca -0.23 -0.69 -0.63 0.00 -1.23 0.00 0.00 61.79 59.01 1kel h SER 140 Cb 1.26 -0.28 -0.16 0.00 -0.44 0.00 0.00 62.40 62.78 1kel h SER 140 CO 0.28 1.49 -0.79 -0.04 -0.53 0.00 0.00 176.83 177.24 1kel s MET 141 N -3.46 1.64 -0.02 2.24 -1.94 -1.26 -0.15 119.30 116.35 1kel s MET 141 Ca -0.10 -1.60 0.03 0.00 -1.71 0.00 0.00 55.69 52.31 1kel s MET 141 Cb 0.08 -1.85 -0.00 0.00 2.01 0.00 0.00 34.83 35.07 1kel s MET 141 CO 0.92 0.37 -0.11 0.54 -0.01 0.00 0.00 175.02 176.73 1kel s VAL 142 N -2.03 0.92 -0.14 -6.03 0.11 0.53 -4.65 120.40 109.12 1kel s VAL 142 Ca 0.25 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1kel s VAL 142 Cb -0.07 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1kel s VAL 142 CO 0.13 0.27 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.23 1kel s THR 143 N -0.07 3.87 0.37 5.04 2.01 -1.26 -1.34 115.64 124.26 1kel s THR 143 Ca 0.01 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1kel s THR 143 Cb -0.07 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1kel s THR 143 CO 0.00 0.51 0.10 -0.76 -0.69 0.00 0.00 174.62 173.78 1kel s LEU 144 N 0.17 2.03 0.00 4.42 1.43 -0.22 -4.62 118.68 121.88 1kel s LEU 144 Ca -0.02 -1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 51.42 1kel s LEU 144 Cb -0.14 -0.19 0.04 0.00 0.03 0.00 0.00 46.19 45.93 1kel s LEU 144 CO 0.03 -0.81 0.52 0.61 0.23 0.00 0.00 176.35 176.92 1kel n GLY 145 N -0.81 0.87 2.87 -3.19 0.00 -0.79 -0.76 105.19 103.38 1kel n GLY 145 Ca -0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1kel n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kel s LEU 147 N 0.34 3.72 -0.47 0.00 2.96 0.05 -1.46 118.68 123.83 1kel s LEU 147 Ca -0.03 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1kel s LEU 147 Cb -0.04 -2.01 0.12 0.00 0.50 0.00 0.00 46.19 44.75 1kel s LEU 147 CO -0.01 -0.03 0.34 -0.69 -1.32 0.00 0.00 176.35 174.64 1kel s VAL 148 N 1.61 4.20 -0.04 1.68 1.01 0.12 -0.42 120.40 128.56 1kel s VAL 148 Ca 0.07 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.28 1kel s VAL 148 Cb -0.15 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1kel s VAL 148 CO 0.07 -0.76 -0.04 -0.75 0.00 0.00 0.00 175.10 173.62 1kel s LYS 149 N 1.36 2.76 -1.19 2.72 2.20 -0.29 -0.91 119.74 126.40 1kel s LYS 149 Ca 0.06 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1kel s LYS 149 Cb -0.26 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1kel s LYS 149 CO -0.01 0.65 1.01 0.41 -0.36 0.00 0.00 175.35 177.05 1kel n GLY 150 N 1.85 -0.37 3.87 5.54 0.00 -0.45 -0.64 105.19 115.00 1kel n GLY 150 Ca -0.17 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1kel n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kel s TYR 151 N -3.33 2.77 -0.29 1.61 1.13 -0.67 -4.53 117.35 114.05 1kel s TYR 151 Ca 0.20 -0.43 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 1kel s TYR 151 Cb -0.09 -2.07 0.14 0.00 -1.10 0.00 0.00 41.96 38.84 1kel s TYR 151 CO 0.69 -0.04 1.09 0.12 -2.51 0.00 0.00 175.55 174.89 1kel s PHE 152 N -2.42 -0.42 0.00 -3.49 2.19 -0.74 -0.50 117.98 112.59 1kel s PHE 152 Ca 0.46 1.00 0.00 0.00 0.33 0.00 0.00 56.93 58.72 1kel s PHE 152 Cb -0.04 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.04 1kel s PHE 152 CO 0.28 -0.21 0.00 -0.35 1.83 0.00 0.00 175.22 176.77 1kel n PRO 153 N 2.34 0.49 -2.26 10.12 -0.04 -1.26 -0.35 135.00 144.04 1kel n PRO 153 Ca -0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1kel n PRO 153 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1kel n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kel s GLU 154 N -2.39 3.84 0.00 0.54 2.02 -1.26 -4.78 118.70 116.67 1kel s GLU 154 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1kel s GLU 154 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1kel s GLU 154 CO 0.00 -0.35 0.00 -0.35 0.02 0.00 0.00 175.26 174.58 1kel n PRO 155 N -1.90 3.04 -4.20 0.39 -0.04 -1.26 -5.00 135.00 126.03 1kel n PRO 155 Ca 0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 1kel n PRO 155 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1kel n PRO 155 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kel s VAL 156 N 0.52 1.07 0.00 0.52 -7.23 -1.26 -4.55 120.40 109.47 1kel s VAL 156 Ca 0.00 -1.72 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1kel s VAL 156 Cb 0.00 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1kel s VAL 156 CO 0.00 -0.55 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.09 1kel s THR 157 N -2.49 2.12 -0.08 5.32 2.01 0.68 -4.96 115.64 118.24 1kel s THR 157 Ca 0.08 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1kel s THR 157 Cb -0.03 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1kel s THR 157 CO 0.01 0.50 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1kel s VAL 158 N -0.69 0.92 0.33 3.82 1.01 -1.26 -0.68 120.40 123.85 1kel s VAL 158 Ca 0.11 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1kel s VAL 158 Cb -0.10 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1kel s VAL 158 CO 0.00 0.32 0.07 0.42 0.00 0.00 0.00 175.10 175.92 1kel s THR 159 N 1.12 1.01 -0.08 3.92 -4.23 -0.25 -4.96 115.64 112.16 1kel s THR 159 Ca -0.07 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1kel s THR 159 Cb -0.14 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1kel s THR 159 CO -0.01 0.00 -0.09 0.26 -0.54 0.00 0.00 174.62 174.24 1kel s TRP 160 N -3.35 1.29 -1.50 3.99 0.52 -1.26 -0.31 118.94 118.31 1kel s TRP 160 Ca 0.35 -0.52 -0.11 0.00 0.02 0.00 0.00 56.10 55.84 1kel s TRP 160 Cb 0.08 -1.03 0.07 0.00 -1.15 0.00 0.00 33.47 31.44 1kel s TRP 160 CO 0.15 -0.34 0.88 0.09 0.02 0.00 0.00 176.95 177.75 1kel n ASN 161 N 4.30 -3.76 -3.61 2.95 5.03 0.46 -1.19 115.26 119.44 1kel n ASN 161 Ca -0.19 -0.82 -0.24 0.00 0.87 0.00 0.00 54.58 54.20 1kel n ASN 161 Cb 0.51 -3.77 0.08 0.00 -1.02 0.00 0.00 39.78 35.58 1kel n ASN 161 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1kel n SER 162 N -2.87 -5.86 0.00 6.41 7.64 -1.26 -1.13 113.62 116.55 1kel n SER 162 Ca -0.04 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1kel n SER 162 Cb 0.56 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1kel n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kel n GLY 163 N -1.91 1.55 0.28 0.23 0.00 -0.33 -4.86 105.19 100.14 1kel n GLY 163 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1kel n GLY 163 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1kel h SER 164 N 0.00 0.46 -3.30 1.61 0.87 -0.69 -3.31 113.55 109.18 1kel h SER 164 Ca 0.00 -0.06 -0.73 0.00 -1.23 0.00 0.00 61.79 59.76 1kel h SER 164 Cb 0.00 -0.12 -0.26 0.00 -0.44 0.00 0.00 62.40 61.59 1kel h SER 164 CO 0.00 0.48 -0.36 -0.76 -0.53 0.00 0.00 176.83 175.66 1kel s LEU 165 N -9.15 5.62 -0.13 2.23 1.43 -0.83 -4.85 118.68 112.99 1kel s LEU 165 Ca -0.08 -1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 51.40 1kel s LEU 165 Cb 0.16 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1kel s LEU 165 CO 0.75 -0.67 -0.15 -1.54 0.23 0.00 0.00 176.35 174.98 1kel n SER 166 N 5.07 1.77 -4.78 2.29 3.41 -1.25 -4.19 113.62 115.95 1kel n SER 166 Ca -0.11 0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 1kel n SER 166 Cb 0.42 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1kel n SER 166 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kel s SER 167 N -5.79 6.17 -0.92 4.04 0.01 -1.26 -3.53 113.70 112.42 1kel s SER 167 Ca -0.18 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1kel s SER 167 Cb 0.06 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1kel s SER 167 CO 0.25 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1kel n GLY 168 N 0.15 1.00 3.66 3.44 0.00 -1.26 -4.73 105.19 107.45 1kel n GLY 168 Ca 0.09 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 1kel n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kel s VAL 169 N -2.33 4.33 -0.22 1.61 1.01 -1.23 -2.33 120.40 121.24 1kel s VAL 169 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1kel s VAL 169 Cb 0.00 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.61 1kel s VAL 169 CO 0.00 0.58 0.02 -1.00 0.00 0.00 0.00 175.10 174.71 1kel s HIS 170 N -0.65 1.41 -0.28 5.22 3.76 -0.23 -4.97 115.29 119.54 1kel s HIS 170 Ca 0.11 -1.16 -0.09 0.00 -0.15 0.00 0.00 55.06 53.76 1kel s HIS 170 Cb -0.12 -1.23 -0.02 0.00 1.11 0.00 0.00 32.58 32.32 1kel s HIS 170 CO 0.02 -0.68 0.13 0.99 -0.85 0.00 0.00 174.74 174.36 1kel s THR 171 N 1.73 4.67 0.32 1.30 2.01 -1.26 -0.56 115.64 123.85 1kel s THR 171 Ca -0.01 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 1kel s THR 171 Cb -0.17 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1kel s THR 171 CO -0.10 0.20 0.79 -0.36 -0.69 0.00 0.00 174.62 174.47 1kel s PHE 172 N 1.65 3.46 0.48 4.92 0.40 -0.47 -5.01 117.98 123.40 1kel s PHE 172 Ca 0.06 1.39 -0.23 0.00 -0.60 0.00 0.00 56.93 57.55 1kel s PHE 172 Cb -0.16 -2.65 -0.09 0.00 0.51 0.00 0.00 43.02 40.63 1kel s PHE 172 CO 0.06 0.12 1.04 -2.30 0.70 0.00 0.00 175.22 174.85 1kel n PRO 173 N -0.07 1.32 -1.89 0.24 -0.02 -1.26 -4.40 135.00 128.92 1kel n PRO 173 Ca 0.03 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 1kel n PRO 173 Cb 0.53 -2.14 0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1kel n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kel s ALA 174 N -1.34 2.69 0.12 3.55 0.00 -1.26 -4.81 121.76 120.71 1kel s ALA 174 Ca 0.66 0.34 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1kel s ALA 174 Cb -0.50 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1kel s ALA 174 CO 0.54 -0.97 -0.13 0.14 0.00 0.00 0.00 175.76 175.34 1kel s VAL 175 N -2.58 1.24 0.07 0.00 -7.23 -0.24 -4.92 120.40 106.73 1kel s VAL 175 Ca 0.63 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1kel s VAL 175 Cb -0.16 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1kel s VAL 175 CO 0.42 -0.47 0.78 -0.22 -0.31 0.00 0.00 175.10 175.30 1kel s LEU 176 N -2.51 4.48 -0.21 1.32 1.98 -1.26 -1.11 118.68 121.37 1kel s LEU 176 Ca 0.09 1.51 -0.08 0.00 -2.89 0.00 0.00 54.13 52.77 1kel s LEU 176 Cb -0.04 -3.27 0.09 0.00 0.66 0.00 0.00 46.19 43.63 1kel s LEU 176 CO 0.02 0.04 0.44 -1.58 -1.89 0.00 0.00 176.35 173.39 1kel s GLN 177 N -0.25 0.36 -1.47 1.98 0.74 0.27 -4.89 119.66 116.40 1kel s GLN 177 Ca 0.39 1.06 -0.07 0.00 0.05 0.00 0.00 55.36 56.78 1kel s GLN 177 Cb -0.21 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.27 1kel s GLN 177 CO 0.24 -0.24 0.86 0.43 -0.55 0.00 0.00 175.29 176.03 1kel n SER 178 N 5.28 -6.06 -0.55 6.67 7.64 -1.26 -1.34 113.62 124.00 1kel n SER 178 Ca -0.10 -0.42 -0.07 0.00 1.01 0.00 0.00 58.87 59.28 1kel n SER 178 Cb 0.50 -4.84 -0.03 0.00 -1.01 0.00 0.00 64.21 58.83 1kel n SER 178 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kel n ASP 179 N -2.73 -4.69 -4.29 6.43 8.00 -1.26 -4.98 116.55 113.03 1kel n ASP 179 Ca -0.05 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1kel n ASP 179 Cb 0.59 -2.83 -0.10 0.00 -0.02 0.00 0.00 41.12 38.76 1kel n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kel s LEU 180 N -1.65 1.51 0.20 0.64 1.43 -0.45 -4.80 118.68 115.58 1kel s LEU 180 Ca 0.00 -1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 51.70 1kel s LEU 180 Cb 0.00 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 1kel s LEU 180 CO 0.00 -0.76 0.40 -0.31 0.23 0.00 0.00 176.35 175.91 1kel s TYR 181 N -3.85 3.48 -0.01 0.29 2.02 0.34 0.95 117.35 120.56 1kel s TYR 181 Ca 0.38 0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 57.45 1kel s TYR 181 Cb 0.08 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1kel s TYR 181 CO 0.13 0.37 0.03 0.99 -1.57 0.00 0.00 175.55 175.50 1kel s THR 182 N -1.87 -0.00 0.06 -0.71 2.01 -0.26 -1.34 115.64 113.52 1kel s THR 182 Ca 0.39 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1kel s THR 182 Cb -0.11 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1kel s THR 182 CO 0.29 0.00 0.06 -0.22 -0.69 0.00 0.00 174.62 174.06 1kel s LEU 183 N 0.06 2.05 0.15 4.42 0.20 -0.09 -1.08 118.68 124.40 1kel s LEU 183 Ca -0.00 -0.82 0.02 0.00 0.69 0.00 0.00 54.13 54.02 1kel s LEU 183 Cb -0.01 0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 46.23 1kel s LEU 183 CO -0.00 -0.62 -0.01 -0.94 -0.29 0.00 0.00 176.35 174.48 1kel s SER 184 N -2.77 1.16 -0.05 3.68 1.04 -1.26 0.13 113.70 115.63 1kel s SER 184 Ca 0.04 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1kel s SER 184 Cb 0.05 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1kel s SER 184 CO -0.09 -0.55 0.15 -0.55 0.98 0.00 0.00 173.24 173.18 1kel s SER 185 N -3.14 -0.14 0.09 7.02 0.15 -0.53 -1.37 113.70 115.78 1kel s SER 185 Ca 0.21 0.26 0.10 0.00 0.70 0.00 0.00 55.95 57.22 1kel s SER 185 Cb 0.06 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1kel s SER 185 CO 0.02 -0.09 -0.26 -0.94 1.20 0.00 0.00 173.24 173.17 1kel s SER 186 N -0.07 3.32 -0.00 5.45 1.04 0.27 -1.49 113.70 122.23 1kel s SER 186 Ca -0.02 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1kel s SER 186 Cb -0.02 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1kel s SER 186 CO 0.00 0.21 -0.05 0.54 0.98 0.00 0.00 173.24 174.92 1kel s VAL 187 N -0.96 0.41 -0.12 5.02 0.11 0.06 -1.07 120.40 123.85 1kel s VAL 187 Ca 0.13 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1kel s VAL 187 Cb -0.10 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1kel s VAL 187 CO 0.05 0.11 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.86 1kel s THR 188 N -0.15 1.67 0.17 5.04 2.01 -0.98 -1.06 115.64 122.34 1kel s THR 188 Ca 0.02 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1kel s THR 188 Cb -0.02 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 1kel s THR 188 CO -0.00 0.47 -0.12 0.68 -0.69 0.00 0.00 174.62 174.97 1kel s VAL 189 N 0.91 1.39 0.52 3.82 -7.23 -0.45 -4.81 120.40 114.55 1kel s VAL 189 Ca -0.07 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 57.76 1kel s VAL 189 Cb -0.15 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1kel s VAL 189 CO -0.01 -0.68 1.28 -2.84 -0.31 0.00 0.00 175.10 172.54 1kel s PRO 190 N -3.71 3.31 0.52 4.82 0.02 -1.26 -0.34 135.00 138.36 1kel s PRO 190 Ca 0.19 2.05 0.21 0.00 0.02 0.00 0.00 61.00 63.48 1kel s PRO 190 Cb 0.01 -2.27 1.39 0.00 0.02 0.00 0.00 34.50 33.65 1kel s PRO 190 CO 0.03 -0.99 2.13 0.77 -0.33 0.00 0.00 177.00 178.60 1kel h SER 191 N 1.59 0.00 0.56 2.53 0.02 -0.79 -2.50 113.55 114.95 1kel h SER 191 Ca -0.50 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 1kel h SER 191 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1kel h SER 191 CO 0.58 0.07 -0.44 0.77 -1.14 0.00 0.00 176.83 176.67 1kel h SER 192 N 0.00 0.00 0.42 3.07 4.64 -1.90 -3.15 113.55 116.63 1kel h SER 192 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kel h SER 192 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kel h SER 192 CO 0.01 0.44 0.00 -2.65 -0.87 0.00 0.00 176.83 173.75 1kel n PRO 193 N -3.85 0.50 -3.82 4.77 -0.02 -0.94 -4.68 135.00 126.97 1kel n PRO 193 Ca -0.01 0.02 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1kel n PRO 193 Cb 0.49 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 1kel n PRO 193 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1kel s ARG 194 N -2.46 0.35 0.00 -0.52 1.04 -1.19 -0.17 118.95 115.99 1kel s ARG 194 Ca 0.30 0.06 0.12 0.00 -1.04 0.00 0.00 55.73 55.16 1kel s ARG 194 Cb 0.19 0.16 0.70 0.00 -2.04 0.00 0.00 34.95 33.95 1kel s ARG 194 CO 0.41 -0.07 1.19 -0.35 -0.04 0.00 0.00 175.30 176.44 1kel n PRO 195 N 2.40 0.63 0.08 3.89 -0.04 -1.26 -4.89 135.00 135.81 1kel n PRO 195 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1kel n PRO 195 Cb 0.57 -1.29 0.57 0.00 -0.04 0.00 0.00 33.50 33.31 1kel n PRO 195 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kel h SER 196 N 0.00 0.19 -3.17 3.54 4.64 -1.83 -3.36 113.55 113.56 1kel h SER 196 Ca 0.00 -0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1kel h SER 196 Cb 0.00 -0.04 -0.33 0.00 -0.31 0.00 0.00 62.40 61.72 1kel h SER 196 CO 0.00 0.13 -0.84 -1.61 -0.87 0.00 0.00 176.83 173.64 1kel s GLU 197 N -5.23 3.08 0.31 4.77 2.02 0.76 -5.10 118.70 119.30 1kel s GLU 197 Ca -0.06 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 1kel s GLU 197 Cb 0.18 -2.59 -0.12 0.00 0.10 0.00 0.00 34.13 31.70 1kel s GLU 197 CO 0.71 -0.12 1.42 2.41 0.02 0.00 0.00 175.26 179.71 1kel n THR 198 N 4.39 1.47 -4.12 3.63 -1.04 -1.26 -4.52 114.28 112.83 1kel n THR 198 Ca -0.20 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.05 61.13 1kel n THR 198 Cb 0.51 -1.69 -0.16 0.00 -1.82 0.00 0.00 70.33 67.16 1kel n THR 198 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kel s VAL 199 N -0.55 1.68 -0.04 12.58 1.01 -1.26 -4.97 120.40 128.85 1kel s VAL 199 Ca 0.61 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1kel s VAL 199 Cb -0.56 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1kel s VAL 199 CO 0.56 0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 175.13 1kel s THR 200 N 1.36 0.99 -0.14 3.92 2.01 -1.26 -0.47 115.64 122.05 1kel s THR 200 Ca 0.03 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 1kel s THR 200 Cb -0.13 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1kel s THR 200 CO -0.10 0.31 0.25 0.00 -0.69 0.00 0.00 174.62 174.39 1kel s ASN 202 N -0.05 5.64 -0.23 0.00 0.01 0.57 -0.72 114.94 120.15 1kel s ASN 202 Ca 0.16 -1.62 -0.07 0.00 -0.71 0.00 0.00 52.86 50.63 1kel s ASN 202 Cb -0.13 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 1kel s ASN 202 CO 0.04 -0.57 0.05 -0.69 -1.51 0.00 0.00 177.10 174.42 1kel s VAL 203 N 1.40 4.23 -0.11 1.60 1.01 0.70 -1.09 120.40 128.14 1kel s VAL 203 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1kel s VAL 203 Cb -0.24 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1kel s VAL 203 CO 0.01 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.34 1kel s ALA 204 N 1.38 2.58 -0.56 5.51 0.00 0.15 -0.52 121.76 130.29 1kel s ALA 204 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1kel s ALA 204 Cb -0.15 -1.13 0.15 0.00 0.00 0.00 0.00 23.12 22.00 1kel s ALA 204 CO 0.03 0.30 0.36 -1.58 0.00 0.00 0.00 175.76 174.87 1kel s HIS 205 N 0.17 2.77 0.36 0.00 2.46 0.35 -0.23 115.29 121.17 1kel s HIS 205 Ca -0.08 -2.95 0.11 0.00 0.47 0.00 0.00 55.06 52.61 1kel s HIS 205 Cb -0.15 -2.30 0.88 0.00 -0.13 0.00 0.00 32.58 30.88 1kel s HIS 205 CO 0.05 -0.69 1.83 -1.35 -2.47 0.00 0.00 174.74 172.12 1kel h PRO 206 N 6.02 0.60 -0.44 2.88 0.11 -1.80 -1.77 132.00 137.59 1kel h PRO 206 Ca 0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1kel h PRO 206 Cb 0.85 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1kel h PRO 206 CO 0.61 0.40 0.24 0.00 -0.21 0.00 0.00 178.00 179.04 1kel h ALA 207 N 1.61 1.60 -0.39 -0.75 0.00 -1.92 -0.71 119.26 118.70 1kel h ALA 207 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1kel h ALA 207 Cb 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kel h ALA 207 CO -0.25 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 1kel n SER 208 N -4.42 3.47 -3.39 0.00 3.41 -0.85 -4.96 113.62 106.88 1kel n SER 208 Ca 0.03 -1.99 -0.21 0.00 -0.26 0.00 0.00 58.87 56.44 1kel n SER 208 Cb 0.09 -0.25 0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1kel n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kel n SER 209 N 1.49 -5.25 -4.41 4.04 7.64 -0.27 -4.93 113.62 111.92 1kel n SER 209 Ca 0.19 -0.52 -0.30 0.00 1.01 0.00 0.00 58.87 59.24 1kel n SER 209 Cb 0.61 -4.79 -0.14 0.00 -1.01 0.00 0.00 64.21 58.88 1kel n SER 209 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1kel s THR 210 N -3.31 2.50 -0.05 0.44 -4.23 -0.73 -4.99 115.64 105.27 1kel s THR 210 Ca 0.43 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1kel s THR 210 Cb -0.19 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.66 1kel s THR 210 CO 0.69 0.35 0.09 -0.54 -0.54 0.00 0.00 174.62 174.67 1kel s LYS 211 N -1.35 -0.03 -0.08 3.99 -0.14 -1.26 -0.50 119.74 120.37 1kel s LYS 211 Ca 0.13 0.41 0.03 0.00 -1.36 0.00 0.00 55.97 55.18 1kel s LYS 211 Cb -0.10 -0.39 0.01 0.00 -1.68 0.00 0.00 37.83 35.67 1kel s LYS 211 CO 0.04 -0.29 -0.18 0.08 -0.76 0.00 0.00 175.35 174.24 1kel s VAL 212 N 2.00 1.59 -0.35 3.17 1.01 0.32 -4.98 120.40 123.16 1kel s VAL 212 Ca 0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1kel s VAL 212 Cb -0.12 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1kel s VAL 212 CO -0.04 0.46 0.12 -1.81 0.00 0.00 0.00 175.10 173.83 1kel s ASP 213 N 0.51 5.33 -0.28 3.32 1.01 -1.26 -0.21 116.67 125.08 1kel s ASP 213 Ca -0.17 -1.25 -0.07 0.00 0.71 0.00 0.00 52.55 51.77 1kel s ASP 213 Cb -0.17 -1.87 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1kel s ASP 213 CO 0.06 -0.36 0.09 -0.75 0.21 0.00 0.00 175.17 174.42 1kel s LYS 214 N 1.38 3.26 0.18 8.23 2.47 0.10 -4.94 119.74 130.42 1kel s LYS 214 Ca -0.01 -0.74 -0.28 0.00 -1.56 0.00 0.00 55.97 53.38 1kel s LYS 214 Cb -0.20 -3.38 -0.08 0.00 -1.46 0.00 0.00 37.83 32.71 1kel s LYS 214 CO 0.02 -0.38 0.88 0.21 0.16 0.00 0.00 175.35 176.24 1kel s LYS 215 N 1.54 4.71 -0.63 4.03 2.20 -1.26 -1.04 119.74 129.29 1kel s LYS 215 Ca 0.04 1.34 -0.21 0.00 -0.36 0.00 0.00 55.97 56.78 1kel s LYS 215 Cb -0.17 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 32.94 1kel s LYS 215 CO 0.03 0.47 0.87 0.42 -0.36 0.00 0.00 175.35 176.77 1kel s ILE 216 N -0.89 4.51 -0.03 5.43 -1.09 0.38 -4.87 121.20 124.64 1kel s ILE 216 Ca 0.40 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 58.11 1kel s ILE 216 Cb -0.24 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 35.98 1kel s ILE 216 CO 0.29 -1.33 0.30 -0.69 -1.23 0.00 0.00 174.94 172.28 1kel s VAL 217 N 3.54 5.22 -2.00 2.92 1.01 -1.26 -4.62 120.40 125.21 1kel s VAL 217 Ca 0.18 0.50 0.13 0.00 0.00 0.00 0.00 61.98 62.79 1kel s VAL 217 Cb -0.20 -3.59 0.38 0.00 0.00 0.00 0.00 36.38 32.97 1kel s VAL 217 CO 0.09 0.52 1.22 -2.65 0.00 0.00 0.00 175.10 174.28