#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln s SER 2 N 0.00 -0.11 -0.42 1.61 0.01 -1.26 -5.11 113.70 108.42 1wln s SER 2 Ca 0.00 0.01 -0.28 0.00 1.31 0.00 0.00 55.95 56.99 1wln s SER 2 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wln s SER 2 CO 0.00 -0.38 1.53 -0.44 0.41 0.00 0.00 173.24 174.36 1wln s SER 3 N -1.19 6.15 0.00 2.44 0.01 -1.26 -4.72 113.70 115.13 1wln s SER 3 Ca -0.13 0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1wln s SER 3 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wln s SER 3 CO 0.03 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.70 1wln n GLY 4 N 5.22 0.24 3.52 3.44 0.00 -1.26 -5.12 105.19 111.24 1wln n GLY 4 Ca 0.18 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1wln n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 5 N -4.00 4.05 -0.36 1.61 0.01 -1.26 -5.10 113.70 108.65 1wln s SER 5 Ca 0.00 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.75 1wln s SER 5 Cb 0.00 -0.63 0.11 0.00 0.21 0.00 0.00 66.02 65.70 1wln s SER 5 CO 0.00 0.16 0.10 -0.44 0.41 0.00 0.00 173.24 173.47 1wln s SER 6 N -2.31 4.41 -0.45 2.44 0.01 -1.26 -5.00 113.70 111.54 1wln s SER 6 Ca 0.20 -2.13 0.07 0.00 1.31 0.00 0.00 55.95 55.40 1wln s SER 6 Cb -0.10 -1.35 0.25 0.00 0.21 0.00 0.00 66.02 65.03 1wln s SER 6 CO 0.12 -0.37 0.57 0.61 0.41 0.00 0.00 173.24 174.59 1wln n GLY 7 N 4.25 3.34 0.19 3.44 0.00 -1.26 -4.90 105.19 110.25 1wln n GLY 7 Ca 0.03 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1wln n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln h PRO 8 N 4.06 0.00 -0.04 1.61 0.13 -2.01 -2.61 132.00 133.13 1wln h PRO 8 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1wln h PRO 8 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1wln h PRO 8 CO 0.55 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.47 1wln n GLU 9 N -2.68 1.28 -2.57 0.86 0.28 -1.26 -3.62 120.64 112.92 1wln n GLU 9 Ca 0.03 -0.41 -0.16 0.00 -0.16 0.00 0.00 57.16 56.45 1wln n GLU 9 Cb 0.37 -1.39 0.02 0.00 1.43 0.00 0.00 31.44 31.87 1wln n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wln n LYS 10 N -0.42 2.17 -3.96 3.44 4.76 -0.98 -4.99 118.16 118.18 1wln n LYS 10 Ca 0.18 -3.80 -0.27 0.00 -2.87 0.00 0.00 58.31 51.55 1wln n LYS 10 Cb 0.18 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wln s LEU 11 N -3.33 4.27 0.31 -0.35 1.43 -1.24 -1.40 118.68 118.37 1wln s LEU 11 Ca 0.36 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 1wln s LEU 11 Cb 0.43 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 1wln s LEU 11 CO -0.06 0.07 1.07 -2.16 0.23 0.00 0.00 176.35 175.50 1wln s PRO 12 N -3.14 4.53 0.16 1.29 0.04 -1.25 -4.12 135.00 132.51 1wln s PRO 12 Ca 0.34 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wln s PRO 12 Cb -0.11 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1wln s PRO 12 CO 0.28 0.14 0.07 1.52 0.04 0.00 0.00 177.00 179.04 1wln s TYR 13 N -1.30 1.04 -0.17 0.56 -0.85 -0.74 0.19 117.35 116.08 1wln s TYR 13 Ca 0.48 -1.23 -0.00 0.00 -0.52 0.00 0.00 57.07 55.80 1wln s TYR 13 Cb -0.29 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.49 1wln s TYR 13 CO 0.37 -0.48 -0.14 -0.51 -1.52 0.00 0.00 175.55 173.26 1wln s LEU 14 N -3.12 2.46 -0.44 -3.49 1.43 -0.61 0.03 118.68 114.95 1wln s LEU 14 Ca 0.29 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1wln s LEU 14 Cb 0.07 -1.57 0.10 0.00 0.03 0.00 0.00 46.19 44.82 1wln s LEU 14 CO 0.05 0.04 0.29 0.54 0.23 0.00 0.00 176.35 177.51 1wln s VAL 15 N 1.06 4.11 0.13 -1.59 0.11 0.17 -2.16 120.40 122.24 1wln s VAL 15 Ca -0.01 -1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 57.11 1wln s VAL 15 Cb -0.15 -3.63 -0.17 0.00 -1.53 0.00 0.00 36.38 30.90 1wln s VAL 15 CO -0.04 -0.64 0.64 1.21 -3.33 0.00 0.00 175.10 172.94 1wln n GLU 16 N 4.88 0.00 -4.46 1.54 2.13 -1.03 -2.21 120.64 121.49 1wln n GLU 16 Ca -0.08 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.48 1wln n GLU 16 Cb 0.42 -1.08 -0.10 0.00 0.27 0.00 0.00 31.44 30.95 1wln n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wln s LEU 17 N 1.97 2.90 1.08 4.31 1.43 0.21 -4.70 118.68 125.89 1wln s LEU 17 Ca 0.68 -1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1wln s LEU 17 Cb -0.97 -1.12 0.23 0.00 0.03 0.00 0.00 46.19 44.37 1wln s LEU 17 CO 0.53 -0.35 1.08 -0.44 0.23 0.00 0.00 176.35 177.39 1wln s SER 18 N -3.72 1.88 0.00 2.29 0.01 -0.02 -4.43 113.70 109.71 1wln s SER 18 Ca 0.35 1.13 0.24 0.00 1.31 0.00 0.00 55.95 58.98 1wln s SER 18 Cb 0.05 -1.76 1.36 0.00 0.21 0.00 0.00 66.02 65.87 1wln s SER 18 CO 0.19 -3.59 1.78 -0.81 0.41 0.00 0.00 173.24 171.22 1wln n PRO 19 N -4.47 0.64 -0.02 12.44 -0.04 -1.26 -1.85 135.00 140.44 1wln n PRO 19 Ca 0.06 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1wln n PRO 19 Cb 0.57 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1wln n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wln n ASP 20 N -1.07 1.74 -1.11 3.54 2.03 -1.26 -4.99 116.55 115.43 1wln n ASP 20 Ca 0.16 -1.42 -0.03 0.00 0.52 0.00 0.00 54.79 54.03 1wln n ASP 20 Cb 0.11 -0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.49 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 21 N 0.31 0.55 3.39 0.27 0.00 -0.77 -5.07 105.19 103.87 1wln n GLY 21 Ca 0.04 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1wln n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 22 N -3.11 3.21 -0.50 1.61 0.01 -1.26 -4.87 113.70 108.80 1wln s SER 22 Ca 0.04 -0.81 0.08 0.00 1.31 0.00 0.00 55.95 56.57 1wln s SER 22 Cb -0.02 -0.22 0.32 0.00 0.21 0.00 0.00 66.02 66.31 1wln s SER 22 CO 0.10 0.12 0.79 -0.90 0.41 0.00 0.00 173.24 173.75 1wln n ASP 23 N 0.59 2.59 -3.60 2.44 5.75 -1.26 -0.84 116.55 122.20 1wln n ASP 23 Ca -0.15 -3.29 -0.01 0.00 -0.01 0.00 0.00 54.79 51.32 1wln n ASP 23 Cb 0.55 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1wln n ASP 23 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wln s SER 24 N -2.65 -1.00 0.00 -1.12 1.04 -1.26 -4.96 113.70 103.75 1wln s SER 24 Ca 0.43 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1wln s SER 24 Cb 0.27 2.04 0.00 0.00 0.10 0.00 0.00 66.02 68.43 1wln s SER 24 CO -0.09 -0.20 0.00 -2.11 0.98 0.00 0.00 173.24 171.82 1wln n ARG 25 N 5.17 0.00 -3.01 4.02 -4.01 -1.26 -5.08 116.66 112.49 1wln n ARG 25 Ca -0.13 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.68 1wln n ARG 25 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 1wln n ARG 25 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1wln n ASP 26 N 0.00 0.00 -4.30 2.89 -0.08 -1.26 -5.11 116.55 108.69 1wln n ASP 26 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 1wln n ASP 26 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1wln n ASP 26 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1wln s LYS 27 N -0.01 2.66 0.67 -0.67 2.20 -1.26 -5.08 119.74 118.25 1wln s LYS 27 Ca 0.00 -1.34 -0.12 0.00 -0.36 0.00 0.00 55.97 54.15 1wln s LYS 27 Cb 0.00 -3.74 -0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1wln s LYS 27 CO 0.00 -0.87 1.06 -1.25 -0.36 0.00 0.00 175.35 173.93 1wln s PRO 28 N 1.45 3.03 0.69 4.03 0.04 -1.26 -5.02 135.00 137.96 1wln s PRO 28 Ca 0.02 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 1wln s PRO 28 Cb -0.22 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1wln s PRO 28 CO 0.03 -1.03 1.12 0.21 0.04 0.00 0.00 177.00 177.38 1wln s LYS 29 N -4.85 2.58 0.04 4.56 2.36 -1.26 -4.83 119.74 118.35 1wln s LYS 29 Ca 0.59 1.43 0.05 0.00 -2.55 0.00 0.00 55.97 55.49 1wln s LYS 29 Cb -0.14 -1.92 -0.02 0.00 -1.05 0.00 0.00 37.83 34.70 1wln s LYS 29 CO 0.51 -1.43 -0.14 -1.17 1.55 0.00 0.00 175.35 174.67 1wln s LEU 30 N -5.08 2.18 -0.26 5.43 2.96 -1.26 -2.47 118.68 120.19 1wln s LEU 30 Ca 0.67 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1wln s LEU 30 Cb -0.22 -0.61 0.09 0.00 0.50 0.00 0.00 46.19 45.95 1wln s LEU 30 CO 0.44 0.03 0.13 -0.31 -1.32 0.00 0.00 176.35 175.32 1wln s TYR 31 N -0.89 0.25 0.20 5.38 2.02 -0.92 -4.94 117.35 118.45 1wln s TYR 31 Ca 0.02 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.73 1wln s TYR 31 Cb -0.08 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.58 1wln s TYR 31 CO 0.01 -0.75 1.18 1.03 -1.57 0.00 0.00 175.55 175.46 1wln s ARG 32 N 2.12 4.52 -1.13 -0.62 0.52 -1.26 -1.57 118.95 121.53 1wln s ARG 32 Ca 0.07 1.86 -0.10 0.00 -0.52 0.00 0.00 55.73 57.04 1wln s ARG 32 Cb -0.16 -3.23 0.25 0.00 0.52 0.00 0.00 34.95 32.33 1wln s ARG 32 CO -0.29 -0.04 1.18 -0.51 0.02 0.00 0.00 175.30 175.66 1wln s LEU 33 N -0.45 6.03 0.75 2.53 1.43 0.50 -4.94 118.68 124.54 1wln s LEU 33 Ca 0.51 -3.42 -0.14 0.00 -1.03 0.00 0.00 54.13 50.06 1wln s LEU 33 Cb -0.32 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1wln s LEU 33 CO 0.37 -0.41 1.16 -1.10 0.23 0.00 0.00 176.35 176.61 1wln s GLN 34 N -0.51 2.13 -0.35 1.70 -0.21 -1.26 -4.44 119.66 116.73 1wln s GLN 34 Ca 0.33 1.58 -0.36 0.00 0.02 0.00 0.00 55.36 56.94 1wln s GLN 34 Cb -0.08 -1.85 -0.12 0.00 1.00 0.00 0.00 33.01 31.96 1wln s GLN 34 CO -0.06 -1.80 2.18 1.28 -2.12 0.00 0.00 175.29 174.77 1wln n LEU 35 N -2.97 2.10 0.00 2.90 4.77 -1.26 -4.59 117.00 117.95 1wln n LEU 35 Ca 0.12 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1wln n LEU 35 Cb 0.51 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1wln n LEU 35 CO 0.48 -0.73 0.00 -1.54 -1.33 0.00 0.00 177.39 174.28 1wln n SER 36 N 9.72 0.00 -4.44 -1.43 3.41 -1.26 -4.99 113.62 114.63 1wln n SER 36 Ca 0.41 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.60 1wln n SER 36 Cb 0.22 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1wln n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wln s VAL 37 N -2.37 5.17 -0.40 -3.33 1.01 -1.26 -3.48 120.40 115.74 1wln s VAL 37 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1wln s VAL 37 Cb 0.00 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wln s VAL 37 CO 0.00 -0.33 0.24 -0.89 0.00 0.00 0.00 175.10 174.12 1wln s THR 38 N 1.66 4.56 -0.12 3.92 2.01 -1.17 -4.49 115.64 122.01 1wln s THR 38 Ca 0.05 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.79 1wln s THR 38 Cb -0.19 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1wln s THR 38 CO 0.09 -0.34 0.73 -1.61 -0.69 0.00 0.00 174.62 172.80 1wln s GLU 39 N 1.53 4.35 0.04 4.92 8.01 -1.26 0.61 118.70 136.90 1wln s GLU 39 Ca 0.02 0.88 -0.04 0.00 0.01 0.00 0.00 54.97 55.84 1wln s GLU 39 Cb -0.21 -3.51 -0.05 0.00 -4.31 0.00 0.00 34.13 26.06 1wln s GLU 39 CO 0.06 -0.12 0.26 0.08 0.01 0.00 0.00 175.26 175.55 1wln s VAL 40 N 1.43 5.32 0.00 2.63 1.01 0.36 -3.20 120.40 127.95 1wln s VAL 40 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1wln s VAL 40 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wln s VAL 40 CO 0.15 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1wln n GLY 41 N 0.70 0.28 0.27 4.51 0.00 -1.13 0.12 105.19 109.94 1wln n GLY 41 Ca -0.08 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.94 1wln n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 42 N 0.00 1.89 -4.50 2.61 -2.24 0.32 0.16 114.28 112.51 1wln n THR 42 Ca 0.00 -2.05 -0.27 0.00 -2.27 0.00 0.00 64.05 59.46 1wln n THR 42 Cb 0.00 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1wln n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wln s GLU 43 N -2.67 2.04 -0.02 -0.78 0.41 -1.19 -4.87 118.70 111.61 1wln s GLU 43 Ca 0.32 -2.06 0.06 0.00 -0.41 0.00 0.00 54.97 52.87 1wln s GLU 43 Cb 0.27 -1.72 -0.01 0.00 -1.78 0.00 0.00 34.13 30.88 1wln s GLU 43 CO 0.04 -0.09 -0.19 0.21 -0.49 0.00 0.00 175.26 174.75 1wln s LYS 44 N -3.77 1.68 0.26 1.61 2.36 -1.26 -4.64 119.74 115.97 1wln s LYS 44 Ca 0.35 -0.68 0.00 0.00 -2.55 0.00 0.00 55.97 53.09 1wln s LYS 44 Cb 0.08 -1.56 0.00 0.00 -1.05 0.00 0.00 37.83 35.30 1wln s LYS 44 CO 0.18 0.37 0.00 1.19 1.55 0.00 0.00 175.35 178.64 1wln n PHE 45 N 2.76 -2.12 -2.45 4.03 3.01 -1.26 -5.12 117.46 116.31 1wln n PHE 45 Ca -0.16 0.38 -0.25 0.00 1.01 0.00 0.00 57.45 58.43 1wln n PHE 45 Cb 0.53 0.49 0.11 0.00 -0.01 0.00 0.00 39.48 40.60 1wln n PHE 45 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wln s ASP 46 N -5.17 4.28 0.10 4.37 2.15 -1.26 -5.01 116.67 116.13 1wln s ASP 46 Ca 0.00 -0.16 -0.15 0.00 0.43 0.00 0.00 52.55 52.67 1wln s ASP 46 Cb 0.00 -0.24 -0.09 0.00 -0.30 0.00 0.00 42.92 42.29 1wln s ASP 46 CO 0.00 -1.91 1.40 -0.78 -0.17 0.00 0.00 175.17 173.71 1wln h ASP 47 N -0.65 0.76 -2.29 -0.34 3.58 -2.00 -3.31 116.42 112.17 1wln h ASP 47 Ca -0.39 -0.50 -0.63 0.00 0.42 0.00 0.00 57.03 55.94 1wln h ASP 47 Cb 1.27 -0.22 -0.40 0.00 1.72 0.00 0.00 39.33 41.70 1wln h ASP 47 CO 0.43 1.11 -0.39 0.59 -2.88 0.00 0.00 179.24 178.10 1wln n ASN 48 N -4.23 4.48 -4.92 2.28 3.02 -1.26 -5.06 115.26 109.57 1wln n ASN 48 Ca -0.04 -3.55 -0.22 0.00 -0.03 0.00 0.00 54.58 50.74 1wln n ASN 48 Cb 0.50 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wln s SER 49 N -2.71 5.07 -0.31 6.41 1.04 -1.25 -4.88 113.70 117.06 1wln s SER 49 Ca 0.42 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1wln s SER 49 Cb 0.19 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 1wln s SER 49 CO -0.05 -1.31 0.22 -0.63 0.98 0.00 0.00 173.24 172.44 1wln s ILE 50 N -2.86 5.27 -0.34 -1.02 1.01 -1.19 -5.03 121.20 117.03 1wln s ILE 50 Ca 0.59 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.20 1wln s ILE 50 Cb -0.09 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.85 1wln s ILE 50 CO 0.40 0.10 0.05 -1.58 0.00 0.00 0.00 174.94 173.91 1wln s GLN 51 N 1.73 1.77 0.35 2.79 0.74 -1.26 -2.82 119.66 122.96 1wln s GLN 51 Ca 0.06 -1.74 0.08 0.00 0.05 0.00 0.00 55.36 53.81 1wln s GLN 51 Cb -0.17 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 1wln s GLN 51 CO 0.11 -0.89 0.24 -0.51 -0.55 0.00 0.00 175.29 173.69 1wln s LEU 52 N 1.00 3.43 -0.04 3.68 1.43 0.41 -4.97 118.68 123.63 1wln s LEU 52 Ca 0.06 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1wln s LEU 52 Cb -0.20 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.06 1wln s LEU 52 CO -0.06 -0.37 0.05 -0.36 0.23 0.00 0.00 176.35 175.84 1wln s PHE 53 N -2.38 0.06 0.15 0.29 0.08 -1.26 -3.78 117.98 111.14 1wln s PHE 53 Ca 0.40 0.22 -0.23 0.00 0.12 0.00 0.00 56.93 57.45 1wln s PHE 53 Cb -0.04 -0.43 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 1wln s PHE 53 CO 0.25 -0.17 0.59 0.20 -0.10 0.00 0.00 175.22 175.99 1wln s GLY 54 N 1.92 -0.60 -0.85 4.36 0.00 -1.26 -5.02 107.32 105.87 1wln s GLY 54 Ca 0.02 0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.98 1wln s GLY 54 CO -0.03 0.17 1.64 2.56 0.00 0.00 0.00 173.10 177.44 1wln s PRO 55 N -3.62 3.02 0.00 2.90 0.04 -1.26 -1.98 135.00 134.10 1wln s PRO 55 Ca 0.01 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1wln s PRO 55 Cb -0.01 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1wln s PRO 55 CO -0.12 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.70 1wln n GLY 56 N 6.33 0.44 3.84 0.56 0.00 -1.26 -5.05 105.19 110.05 1wln n GLY 56 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -1.42 4.52 0.53 -0.61 -1.09 -0.84 -4.84 121.20 117.46 1wln s ILE 57 Ca 0.00 1.22 0.03 0.00 -2.23 0.00 0.00 60.65 59.67 1wln s ILE 57 Cb 0.00 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1wln s ILE 57 CO 0.00 -0.52 0.20 -1.10 -1.23 0.00 0.00 174.94 172.29 1wln s GLN 58 N -3.69 2.23 -0.06 2.79 -1.52 -1.26 -4.93 119.66 113.23 1wln s GLN 58 Ca 0.59 -2.23 -0.09 0.00 -1.95 0.00 0.00 55.36 51.68 1wln s GLN 58 Cb -0.10 -1.80 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 1wln s GLN 58 CO 0.24 -0.50 0.38 -1.00 -0.25 0.00 0.00 175.29 174.17 1wln h PRO 59 N 1.05 -0.31 -3.33 2.91 0.13 -1.89 0.92 132.00 131.48 1wln h PRO 59 Ca -0.40 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.95 1wln h PRO 59 Cb 1.31 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 32.23 1wln h PRO 59 CO 0.66 -0.20 0.54 1.58 -0.23 0.00 0.00 178.00 180.35 1wln n HIS 60 N -4.81 4.26 0.34 1.56 -0.00 -1.26 -2.98 115.22 112.34 1wln n HIS 60 Ca -0.04 -3.49 -0.14 0.00 -0.00 0.00 0.00 57.72 54.06 1wln n HIS 60 Cb 0.13 -1.54 -0.06 0.00 -0.00 0.00 0.00 29.99 28.51 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1wln h HIS 61 N 6.21 -0.82 -2.60 1.57 2.76 0.72 -3.20 115.15 119.79 1wln h HIS 61 Ca 0.19 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.46 1wln h HIS 61 Cb 0.78 0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.94 1wln h HIS 61 CO 0.84 -0.51 0.38 0.00 -1.30 0.00 0.00 177.93 177.34 1wln s ASP 63 N -2.90 3.41 -0.58 0.00 1.11 -0.69 0.14 116.67 117.15 1wln s ASP 63 Ca 0.11 -0.39 -0.02 0.00 0.18 0.00 0.00 52.55 52.43 1wln s ASP 63 Cb -0.03 -0.73 0.15 0.00 1.07 0.00 0.00 42.92 43.38 1wln s ASP 63 CO 0.03 0.29 0.39 -0.76 1.18 0.00 0.00 175.17 176.30 1wln s LEU 64 N -0.44 5.16 -0.10 1.23 1.43 0.20 -2.75 118.68 123.41 1wln s LEU 64 Ca 0.05 -2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 50.24 1wln s LEU 64 Cb -0.12 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1wln s LEU 64 CO 0.01 -0.38 0.43 -0.89 0.23 0.00 0.00 176.35 175.75 1wln s THR 65 N 0.09 5.17 -0.38 5.49 2.01 -1.26 -3.03 115.64 123.74 1wln s THR 65 Ca 0.16 0.85 -0.12 0.00 0.31 0.00 0.00 61.69 62.89 1wln s THR 65 Cb -0.21 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1wln s THR 65 CO -0.03 0.40 0.23 0.21 -0.69 0.00 0.00 174.62 174.74 1wln s ASN 66 N 0.17 5.83 -0.32 3.53 3.84 -1.23 -3.50 114.94 123.27 1wln s ASN 66 Ca 0.24 -0.92 0.04 0.00 0.21 0.00 0.00 52.86 52.42 1wln s ASN 66 Cb -0.15 -2.06 0.09 0.00 -0.55 0.00 0.00 41.25 38.57 1wln s ASN 66 CO 0.10 -0.38 0.00 -0.04 -2.79 0.00 0.00 177.10 173.99 1wln s MET 67 N 1.60 1.73 -1.17 0.43 -1.94 0.31 -4.44 119.30 115.82 1wln s MET 67 Ca 0.03 -1.71 -0.01 0.00 -1.71 0.00 0.00 55.69 52.29 1wln s MET 67 Cb -0.19 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.53 1wln s MET 67 CO 0.08 -0.83 0.98 -0.25 -0.01 0.00 0.00 175.02 174.99 1wln n ASP 68 N 4.31 -2.50 -1.78 3.03 8.00 -1.26 -1.90 116.55 124.46 1wln n ASP 68 Ca -0.02 -0.59 -0.16 0.00 0.71 0.00 0.00 54.79 54.74 1wln n ASP 68 Cb 0.42 -4.93 -0.01 0.00 -0.02 0.00 0.00 41.12 36.59 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 69 N -1.22 -0.27 3.04 0.44 0.00 -1.26 -5.00 105.19 100.93 1wln n GLY 69 Ca -0.25 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1wln n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wln s VAL 70 N -2.78 1.25 -0.02 1.61 1.01 -0.80 -4.90 120.40 115.78 1wln s VAL 70 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1wln s VAL 70 Cb -0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1wln s VAL 70 CO 0.00 0.38 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1wln s VAL 71 N 0.66 1.81 -0.07 2.92 1.01 -1.25 0.11 120.40 125.59 1wln s VAL 71 Ca -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1wln s VAL 71 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1wln s VAL 71 CO 0.04 0.50 0.04 0.42 0.00 0.00 0.00 175.10 176.10 1wln s THR 72 N -0.55 0.11 -0.01 3.92 -4.23 -1.23 -1.28 115.64 112.37 1wln s THR 72 Ca 0.09 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 1wln s THR 72 Cb -0.09 -0.37 -0.06 0.00 1.34 0.00 0.00 72.50 73.32 1wln s THR 72 CO -0.01 0.16 1.54 0.54 -0.54 0.00 0.00 174.62 176.31 1wln s VAL 73 N 2.08 3.55 -0.27 2.29 0.11 -0.83 -4.30 120.40 123.02 1wln s VAL 73 Ca 0.04 0.85 0.01 0.00 -2.93 0.00 0.00 61.98 59.96 1wln s VAL 73 Cb -0.13 -3.54 0.08 0.00 -1.53 0.00 0.00 36.38 31.25 1wln s VAL 73 CO -0.05 -0.03 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.79 1wln s THR 74 N 3.10 1.67 -0.01 5.04 2.01 -1.11 -1.63 115.64 124.71 1wln s THR 74 Ca 0.69 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1wln s THR 74 Cb -0.33 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1wln s THR 74 CO 0.28 -0.30 1.20 -2.16 -0.69 0.00 0.00 174.62 172.95 1wln s PRO 75 N 1.28 4.39 -0.11 4.92 0.04 -1.26 -1.70 135.00 142.56 1wln s PRO 75 Ca 0.00 1.70 0.14 0.00 0.04 0.00 0.00 61.00 62.89 1wln s PRO 75 Cb -0.19 -3.48 0.27 0.00 0.04 0.00 0.00 34.50 31.14 1wln s PRO 75 CO -0.09 -0.37 1.14 0.54 0.04 0.00 0.00 177.00 178.25 1wln n ARG 76 N 4.72 1.01 -3.82 4.56 5.12 -1.12 -4.92 116.66 122.21 1wln n ARG 76 Ca 0.10 -2.39 -0.25 0.00 -1.93 0.00 0.00 57.85 53.38 1wln n ARG 76 Cb 0.46 -1.23 -0.17 0.00 -1.16 0.00 0.00 32.46 30.37 1wln n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wln s SER 77 N -2.54 2.03 -1.21 0.55 0.01 -1.21 -4.92 113.70 106.42 1wln s SER 77 Ca 0.27 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1wln s SER 77 Cb 0.25 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 1wln s SER 77 CO -0.01 -0.18 2.33 0.23 0.41 0.00 0.00 173.24 176.02 1wln n MET 78 N 5.05 2.58 0.00 12.44 2.81 -1.26 -2.40 117.12 136.34 1wln n MET 78 Ca -0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.79 1wln n MET 78 Cb 0.49 -2.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 1wln n MET 78 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1wln n ASP 79 N 5.14 0.00 -4.62 7.83 2.03 -1.26 -5.10 116.55 120.57 1wln n ASP 79 Ca 0.57 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.45 1wln n ASP 79 Cb 0.27 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wln s ALA 80 N 0.00 3.02 -0.24 -1.67 0.00 -1.01 -4.94 121.76 116.93 1wln s ALA 80 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 1wln s ALA 80 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.14 1wln s ALA 80 CO 0.00 -2.36 0.82 -1.21 0.00 0.00 0.00 175.76 173.01 1wln s GLU 81 N 5.48 4.19 -0.25 0.00 2.02 -1.26 -4.88 118.70 123.99 1wln s GLU 81 Ca 0.86 0.93 0.02 0.00 0.02 0.00 0.00 54.97 56.81 1wln s GLU 81 Cb -0.30 -3.64 0.06 0.00 0.10 0.00 0.00 34.13 30.35 1wln s GLU 81 CO 0.34 -0.50 -0.09 0.99 0.02 0.00 0.00 175.26 176.02 1wln s THR 82 N 2.79 1.98 -0.23 3.63 2.01 -1.26 -1.81 115.64 122.76 1wln s THR 82 Ca 0.35 -1.52 -0.03 0.00 0.31 0.00 0.00 61.69 60.80 1wln s THR 82 Cb -0.15 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1wln s THR 82 CO 0.08 -0.06 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.58 1wln s TYR 83 N 1.18 2.99 -0.86 4.92 2.02 -1.10 -2.07 117.35 124.44 1wln s TYR 83 Ca -0.08 -1.28 -0.18 0.00 -0.37 0.00 0.00 57.07 55.16 1wln s TYR 83 Cb -0.20 -2.07 0.15 0.00 -0.40 0.00 0.00 41.96 39.44 1wln s TYR 83 CO -0.05 -0.66 0.99 0.08 -1.57 0.00 0.00 175.55 174.34 1wln s VAL 84 N 1.39 4.95 -0.03 0.71 1.01 0.47 -1.75 120.40 127.14 1wln s VAL 84 Ca 0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 1wln s VAL 84 Cb -0.15 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1wln s VAL 84 CO -0.05 -1.35 0.01 -0.67 0.00 0.00 0.00 175.10 173.05 1wln n ASP 85 N 5.92 -1.63 0.00 3.32 -0.08 -1.15 -3.26 116.55 119.67 1wln n ASP 85 Ca 0.17 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1wln n ASP 85 Cb 0.48 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.34 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 86 N -0.75 0.54 3.09 0.27 0.00 -1.26 -4.99 105.19 102.09 1wln n GLY 86 Ca -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1wln n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wln s GLN 87 N -0.50 2.66 0.58 1.61 -0.21 -1.20 -5.02 119.66 117.58 1wln s GLN 87 Ca 0.00 -0.98 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1wln s GLN 87 Cb 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 1wln s GLN 87 CO 0.00 -0.34 1.09 0.50 -2.12 0.00 0.00 175.29 174.42 1wln s ARG 88 N 1.25 3.28 0.42 2.91 3.52 -1.26 0.18 118.95 129.24 1wln s ARG 88 Ca 0.00 1.40 0.07 0.00 -0.13 0.00 0.00 55.73 57.07 1wln s ARG 88 Cb -0.15 -2.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.17 1wln s ARG 88 CO -0.10 -0.87 0.18 0.96 -0.81 0.00 0.00 175.30 174.66 1wln s ILE 89 N -2.14 2.22 -0.00 4.11 -4.36 -0.88 -4.85 121.20 115.29 1wln s ILE 89 Ca 0.68 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1wln s ILE 89 Cb -0.19 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1wln s ILE 89 CO 0.32 0.00 0.68 -1.20 0.24 0.00 0.00 174.94 174.98 1wln n SER 90 N -1.26 0.07 0.00 4.36 7.64 -1.26 -4.90 113.62 118.27 1wln n SER 90 Ca -0.02 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1wln n SER 90 Cb 0.65 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wln n GLU 91 N -0.03 -2.03 -1.53 1.43 0.28 -1.26 -5.02 120.64 112.48 1wln n GLU 91 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.62 1wln n GLU 91 Cb 0.56 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.37 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wln n THR 92 N 0.76 -0.03 -3.85 3.84 -1.04 -1.25 -4.67 114.28 108.04 1wln n THR 92 Ca 0.00 -0.55 -0.36 0.00 -2.04 0.00 0.00 64.05 61.10 1wln n THR 92 Cb 0.00 -2.14 -0.13 0.00 -1.82 0.00 0.00 70.33 66.24 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 10.93 3.65 0.37 12.58 2.01 -0.64 -4.93 115.64 139.60 1wln s THR 93 Ca 1.09 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 62.34 1wln s THR 93 Cb -0.50 -2.72 -0.12 0.00 0.01 0.00 0.00 72.50 69.17 1wln s THR 93 CO 0.34 0.34 1.09 0.80 -0.69 0.00 0.00 174.62 176.49 1wln n MET 94 N 4.83 1.56 -4.29 4.92 1.56 -1.26 -1.96 117.12 122.48 1wln n MET 94 Ca -0.17 0.55 -0.32 0.00 -0.27 0.00 0.00 57.70 57.50 1wln n MET 94 Cb 0.50 -2.07 -0.09 0.00 2.15 0.00 0.00 33.22 33.71 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wln s LEU 95 N -0.45 3.37 0.04 -0.89 1.43 -0.41 -4.85 118.68 116.92 1wln s LEU 95 Ca 0.60 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 1wln s LEU 95 Cb -0.59 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1wln s LEU 95 CO 0.59 0.24 -0.20 -1.10 0.23 0.00 0.00 176.35 176.11 1wln s GLN 96 N -1.78 1.34 0.10 1.70 -0.21 -1.26 -4.66 119.66 114.88 1wln s GLN 96 Ca 0.21 -0.92 -0.34 0.00 0.02 0.00 0.00 55.36 54.33 1wln s GLN 96 Cb -0.11 -1.44 -0.14 0.00 1.00 0.00 0.00 33.01 32.32 1wln s GLN 96 CO 0.12 0.37 1.61 -1.13 -2.12 0.00 0.00 175.29 174.14 1wln n SER 97 N 1.86 2.98 0.00 5.90 3.41 -1.26 -1.34 113.62 125.17 1wln n SER 97 Ca -0.17 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1wln n SER 97 Cb 0.53 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1wln n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 98 N 3.52 3.10 3.34 5.00 0.00 0.53 -4.93 105.19 115.74 1wln n GLY 98 Ca 0.18 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1wln n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wln n MET 99 N 0.00 0.19 -2.81 1.61 2.81 -0.45 -4.48 117.12 113.99 1wln n MET 99 Ca 0.00 0.07 -0.27 0.00 -1.81 0.00 0.00 57.70 55.70 1wln n MET 99 Cb 0.00 -1.23 -0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1wln n MET 99 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wln s ARG 100 N -1.33 3.53 -0.15 0.03 0.52 -1.26 -1.15 118.95 119.14 1wln s ARG 100 Ca 0.61 0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.88 1wln s ARG 100 Cb -0.53 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1wln s ARG 100 CO 0.62 -0.12 -0.01 -1.17 0.02 0.00 0.00 175.30 174.64 1wln s LEU 101 N -4.64 1.22 -0.22 2.53 1.98 0.56 -2.92 118.68 117.19 1wln s LEU 101 Ca 0.46 -0.59 -0.06 0.00 -2.89 0.00 0.00 54.13 51.04 1wln s LEU 101 Cb -0.10 -0.69 -0.03 0.00 0.66 0.00 0.00 46.19 46.04 1wln s LEU 101 CO 0.43 -0.23 0.03 -1.58 -1.89 0.00 0.00 176.35 173.11 1wln s GLN 102 N 1.79 3.66 -0.72 1.98 0.74 -0.72 0.89 119.66 127.29 1wln s GLN 102 Ca 0.01 -0.49 0.04 0.00 0.05 0.00 0.00 55.36 54.98 1wln s GLN 102 Cb -0.15 -3.19 0.19 0.00 1.10 0.00 0.00 33.01 30.95 1wln s GLN 102 CO -0.07 -0.05 0.58 1.19 -0.55 0.00 0.00 175.29 176.39 1wln n PHE 103 N 4.47 3.43 -1.48 1.67 3.72 -0.98 -2.70 117.46 125.57 1wln n PHE 103 Ca -0.17 -4.26 0.00 0.00 -0.05 0.00 0.00 57.45 52.97 1wln n PHE 103 Cb 0.52 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1wln n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wln n GLY 104 N 1.79 0.94 4.22 1.37 0.00 -0.75 -3.89 105.19 108.87 1wln n GLY 104 Ca 0.22 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1wln n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 105 N -2.38 -0.98 0.00 2.61 -2.24 -1.26 -4.66 114.28 105.37 1wln n THR 105 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1wln n THR 105 Cb 0.33 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1wln n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wln n SER 106 N -2.70 0.00 -4.18 3.42 2.88 -1.26 -5.03 113.62 106.75 1wln n SER 106 Ca -0.31 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.84 1wln n SER 106 Cb 0.66 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 64.17 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wln s HIS 107 N -1.91 3.49 -0.10 0.66 4.02 -1.25 -4.97 115.29 115.22 1wln s HIS 107 Ca 0.00 -2.16 -0.16 0.00 1.02 0.00 0.00 55.06 53.76 1wln s HIS 107 Cb 0.00 -3.41 -0.05 0.00 -1.02 0.00 0.00 32.58 28.11 1wln s HIS 107 CO 0.00 -0.96 0.41 0.08 1.02 0.00 0.00 174.74 175.28 1wln s VAL 108 N 0.98 5.18 0.33 -0.90 1.01 -1.25 -2.33 120.40 123.42 1wln s VAL 108 Ca 0.09 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1wln s VAL 108 Cb -0.23 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wln s VAL 108 CO -0.03 0.41 0.12 -0.36 0.00 0.00 0.00 175.10 175.24 1wln s PHE 109 N 0.14 1.73 -0.15 5.22 0.40 0.26 0.63 117.98 126.21 1wln s PHE 109 Ca 0.23 -1.22 -0.01 0.00 -0.60 0.00 0.00 56.93 55.32 1wln s PHE 109 Cb -0.15 -1.05 0.04 0.00 0.51 0.00 0.00 43.02 42.37 1wln s PHE 109 CO 0.09 -0.31 -0.02 0.21 0.70 0.00 0.00 175.22 175.89 1wln s LYS 110 N -3.84 1.08 0.27 0.44 2.36 -0.94 0.21 119.74 119.32 1wln s LYS 110 Ca 0.33 -0.34 -0.27 0.00 -2.55 0.00 0.00 55.97 53.14 1wln s LYS 110 Cb 0.06 -1.77 -0.09 0.00 -1.05 0.00 0.00 37.83 34.98 1wln s LYS 110 CO 0.16 -0.44 0.92 0.12 1.55 0.00 0.00 175.35 177.66 1wln s PHE 111 N 1.77 3.83 0.09 4.03 2.19 -0.30 -0.65 117.98 128.94 1wln s PHE 111 Ca 0.02 1.81 0.02 0.00 0.33 0.00 0.00 56.93 59.11 1wln s PHE 111 Cb -0.15 -2.92 -0.04 0.00 -1.31 0.00 0.00 43.02 38.60 1wln s PHE 111 CO -0.07 0.34 -0.08 0.14 1.83 0.00 0.00 175.22 177.38 1wln s VAL 112 N -1.40 0.76 -0.36 3.12 -7.23 0.10 0.20 120.40 115.60 1wln s VAL 112 Ca 0.45 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1wln s VAL 112 Cb -0.22 -1.48 0.13 0.00 0.56 0.00 0.00 36.38 35.37 1wln s VAL 112 CO 0.27 -0.73 0.19 -0.62 -0.31 0.00 0.00 175.10 173.90 1wln s ASP 113 N -2.73 3.38 0.04 4.85 2.15 -1.26 -1.79 116.67 121.32 1wln s ASP 113 Ca 0.08 -2.07 0.22 0.00 0.43 0.00 0.00 52.55 51.21 1wln s ASP 113 Cb 0.01 -0.62 0.92 0.00 -0.30 0.00 0.00 42.92 42.94 1wln s ASP 113 CO -0.03 -0.34 1.70 -0.81 -0.17 0.00 0.00 175.17 175.53 1wln n PRO 114 N 4.23 0.04 -0.22 4.34 -0.04 -1.26 -3.05 135.00 139.04 1wln n PRO 114 Ca 0.06 0.16 -0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1wln n PRO 114 Cb 0.38 -1.56 0.22 0.00 -0.04 0.00 0.00 33.50 32.50 1wln n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wln h SER 115 N 0.00 0.88 -4.07 3.54 0.87 -1.52 -3.46 113.55 109.80 1wln h SER 115 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wln h SER 115 Cb 0.40 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1wln h SER 115 CO 0.00 0.67 -0.60 0.61 -0.53 0.00 0.00 176.83 176.98 1wln n GLY 116 N -1.31 -4.12 3.57 5.77 0.00 -1.17 -4.64 105.19 103.29 1wln n GLY 116 Ca 0.08 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1wln n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wln s PRO 117 N -4.31 3.20 -0.09 1.61 0.04 -1.26 -4.74 135.00 129.45 1wln s PRO 117 Ca 0.00 -1.27 -0.06 0.00 0.04 0.00 0.00 61.00 59.72 1wln s PRO 117 Cb 0.00 -5.33 -0.04 0.00 0.04 0.00 0.00 34.50 29.17 1wln s PRO 117 CO 0.00 -2.98 0.21 1.03 0.04 0.00 0.00 177.00 175.30 1wln h SER 118 N 9.34 -0.09 -1.44 6.66 0.87 -1.99 -3.47 113.55 123.43 1wln h SER 118 Ca 0.27 -0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 1wln h SER 118 Cb 0.94 0.02 -0.21 0.00 -0.44 0.00 0.00 62.40 62.72 1wln h SER 118 CO 1.34 0.43 -0.12 -0.55 -0.53 0.00 0.00 176.83 177.40 1wln s SER 119 N -5.48 -1.12 0.00 6.23 0.15 -1.26 -5.33 113.70 106.90 1wln s SER 119 Ca -0.03 1.17 0.24 0.00 0.70 0.00 0.00 55.95 58.03 1wln s SER 119 Cb -0.00 2.12 0.27 0.00 -1.71 0.00 0.00 66.02 66.70 1wln s SER 119 CO 0.11 -0.21 1.30 0.61 1.20 0.00 0.00 173.24 176.26