#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic n SER 2 N 0.00 0.00 -3.64 1.61 2.88 -1.26 -4.60 113.62 108.61 1wic n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1wic n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wic n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 3 N 0.00 -0.76 -0.06 -3.46 0.01 -1.26 -5.17 113.70 103.00 1wic s SER 3 Ca 0.00 1.21 -0.31 0.00 1.31 0.00 0.00 55.95 58.16 1wic s SER 3 Cb 0.00 1.34 0.12 0.00 0.21 0.00 0.00 66.02 67.69 1wic s SER 3 CO 0.00 -0.19 1.35 -0.83 0.41 0.00 0.00 173.24 173.98 1wic s GLY 4 N 1.56 -0.33 0.61 3.44 0.00 -1.26 -5.16 107.32 106.17 1wic s GLY 4 Ca -0.09 0.51 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 1wic s GLY 4 CO -0.18 2.83 1.03 -1.35 0.00 0.00 0.00 173.10 175.43 1wic s SER 5 N -3.38 6.21 -0.20 1.64 1.04 -1.26 -5.08 113.70 112.67 1wic s SER 5 Ca 0.22 1.47 -0.26 0.00 0.48 0.00 0.00 55.95 57.86 1wic s SER 5 Cb 0.04 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.74 1wic s SER 5 CO -0.04 -0.88 0.68 -0.44 0.98 0.00 0.00 173.24 173.54 1wic s SER 6 N -3.94 -0.69 -0.07 7.02 0.01 -1.26 -5.13 113.70 109.63 1wic s SER 6 Ca 0.56 1.18 -0.02 0.00 1.31 0.00 0.00 55.95 58.98 1wic s SER 6 Cb -0.11 1.15 0.03 0.00 0.21 0.00 0.00 66.02 67.31 1wic s SER 6 CO 0.50 -0.34 0.04 -0.83 0.41 0.00 0.00 173.24 173.01 1wic s GLY 7 N -0.09 0.36 -0.17 3.44 0.00 -1.26 -5.13 107.32 104.47 1wic s GLY 7 Ca -0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1wic s GLY 7 CO 0.03 1.32 0.90 0.54 0.00 0.00 0.00 173.10 175.90 1wic s LYS 8 N 2.07 0.71 0.40 2.90 1.02 -1.26 -5.17 119.74 120.41 1wic s LYS 8 Ca 0.04 0.36 -0.12 0.00 0.02 0.00 0.00 55.97 56.27 1wic s LYS 8 Cb -0.13 0.34 -0.07 0.00 -0.52 0.00 0.00 37.83 37.45 1wic s LYS 8 CO -0.05 -0.19 0.78 0.15 -0.92 0.00 0.00 175.35 175.12 1wic s LYS 9 N -0.69 3.84 0.13 1.68 3.01 -1.26 -5.03 119.74 121.42 1wic s LYS 9 Ca -0.03 0.55 -0.30 0.00 -1.01 0.00 0.00 55.97 55.18 1wic s LYS 9 Cb -0.02 -2.38 -0.07 0.00 -1.01 0.00 0.00 37.83 34.35 1wic s LYS 9 CO 0.02 -0.01 1.13 -1.25 0.51 0.00 0.00 175.35 175.75 1wic s PRO 10 N -3.68 4.53 -0.22 -1.68 0.04 -1.26 -5.03 135.00 127.71 1wic s PRO 10 Ca 0.52 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 1wic s PRO 10 Cb -0.10 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1wic s PRO 10 CO 0.28 -0.05 -0.12 -1.17 0.04 0.00 0.00 177.00 175.98 1wic s LEU 11 N 0.15 2.75 0.14 -3.56 0.20 -1.26 -5.06 118.68 112.04 1wic s LEU 11 Ca 0.53 -0.78 -0.11 0.00 0.69 0.00 0.00 54.13 54.45 1wic s LEU 11 Cb -0.29 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.89 1wic s LEU 11 CO 0.33 -0.07 0.31 -0.44 -0.29 0.00 0.00 176.35 176.19 1wic s SER 12 N 1.30 -0.02 -0.04 3.68 0.01 -1.26 -5.09 113.70 112.27 1wic s SER 12 Ca 0.02 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1wic s SER 12 Cb -0.15 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1wic s SER 12 CO -0.08 -0.87 -0.02 -0.69 0.41 0.00 0.00 173.24 172.00 1wic s VAL 13 N -3.90 0.35 -0.79 3.43 1.01 -1.26 -1.81 120.40 117.42 1wic s VAL 13 Ca 0.11 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1wic s VAL 13 Cb 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1wic s VAL 13 CO -0.05 0.20 1.68 0.12 0.00 0.00 0.00 175.10 177.05 1wic s PHE 14 N 1.21 1.99 -0.18 5.22 5.36 -0.91 -4.85 117.98 125.83 1wic s PHE 14 Ca -0.07 0.27 -0.29 0.00 -0.96 0.00 0.00 56.93 55.88 1wic s PHE 14 Cb -0.14 -4.31 -0.04 0.00 -0.34 0.00 0.00 43.02 38.20 1wic s PHE 14 CO -0.02 -2.04 1.85 0.15 -1.46 0.00 0.00 175.22 173.70 1wic s LYS 15 N 6.38 3.65 0.26 10.12 -0.14 -1.26 -2.40 119.74 136.35 1wic s LYS 15 Ca 0.57 1.91 0.04 0.00 -1.36 0.00 0.00 55.97 57.13 1wic s LYS 15 Cb -0.08 -4.16 -0.03 0.00 -1.68 0.00 0.00 37.83 31.89 1wic s LYS 15 CO 0.08 -1.48 0.40 0.20 -0.76 0.00 0.00 175.35 173.78 1wic s GLY 16 N 5.44 1.25 0.24 -3.33 0.00 -1.25 -5.00 107.32 104.67 1wic s GLY 16 Ca 0.82 -1.19 0.25 0.00 0.00 0.00 0.00 44.72 44.61 1wic s GLY 16 CO 0.33 -1.19 1.75 -1.55 0.00 0.00 0.00 173.10 172.44 1wic n PRO 17 N -1.48 0.24 0.00 2.90 -0.04 -1.26 -4.52 135.00 130.84 1wic n PRO 17 Ca -0.08 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1wic n PRO 17 Cb 0.57 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1wic n PRO 17 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wic n LEU 18 N -2.27 0.00 -4.64 1.53 4.77 -1.26 -4.68 117.00 110.45 1wic n LEU 18 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1wic n LEU 18 CO 0.25 -0.21 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.55 1wic s LEU 19 N -3.26 3.45 0.43 2.23 1.98 -1.26 -1.95 118.68 120.29 1wic s LEU 19 Ca 0.00 0.08 -0.08 0.00 -2.89 0.00 0.00 54.13 51.24 1wic s LEU 19 Cb 0.00 -1.78 -0.05 0.00 0.66 0.00 0.00 46.19 45.02 1wic s LEU 19 CO 0.00 0.36 0.77 -1.00 -1.89 0.00 0.00 176.35 174.58 1wic s HIS 20 N -0.76 3.51 0.04 5.38 3.76 0.74 -3.87 115.29 124.09 1wic s HIS 20 Ca 0.12 0.93 0.07 0.00 -0.15 0.00 0.00 55.06 56.03 1wic s HIS 20 Cb -0.11 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.18 1wic s HIS 20 CO 0.02 -0.17 -0.21 0.42 -0.85 0.00 0.00 174.74 173.96 1wic s ILE 21 N -2.51 1.67 -0.23 0.60 -1.09 -1.01 -2.88 121.20 115.75 1wic s ILE 21 Ca 0.49 -1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 57.62 1wic s ILE 21 Cb -0.10 -1.45 0.08 0.00 -1.58 0.00 0.00 42.46 39.41 1wic s ILE 21 CO 0.37 0.22 0.53 -0.55 -1.23 0.00 0.00 174.94 174.28 1wic s SER 22 N -1.14 -0.69 1.08 3.58 0.15 -0.48 -2.13 113.70 114.07 1wic s SER 22 Ca 0.07 1.19 -0.13 0.00 0.70 0.00 0.00 55.95 57.79 1wic s SER 22 Cb -0.09 1.24 0.18 0.00 -1.71 0.00 0.00 66.02 65.64 1wic s SER 22 CO 0.02 -0.22 0.83 -0.81 1.20 0.00 0.00 173.24 174.26 1wic n PRO 23 N 4.59 -1.66 0.00 5.44 -0.04 -1.26 -0.56 135.00 141.50 1wic n PRO 23 Ca -0.19 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1wic n PRO 23 Cb 0.55 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1wic n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 24 N -3.93 0.00 -3.11 0.55 0.00 -0.75 -4.63 120.51 108.65 1wic n ALA 24 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1wic n ALA 24 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1wic n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wic n GLU 25 N 0.00 1.78 -3.15 0.00 0.28 -1.26 -4.76 120.64 113.53 1wic n GLU 25 Ca 0.00 -3.91 0.04 0.00 -0.16 0.00 0.00 57.16 53.13 1wic n GLU 25 Cb 0.00 -1.89 -0.00 0.00 1.43 0.00 0.00 31.44 30.98 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1wic s GLU 26 N -2.75 0.48 -0.06 3.44 -1.05 -1.26 -4.38 118.70 113.13 1wic s GLU 26 Ca 0.43 0.61 -0.05 0.00 -0.15 0.00 0.00 54.97 55.81 1wic s GLU 26 Cb 0.32 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.27 1wic s GLU 26 CO -0.10 -0.75 0.18 -0.51 0.95 0.00 0.00 175.26 175.03 1wic s LEU 27 N 2.87 4.38 -0.33 1.83 1.43 0.16 -4.70 118.68 124.31 1wic s LEU 27 Ca 0.15 0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1wic s LEU 27 Cb -0.10 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.85 1wic s LEU 27 CO -0.23 0.33 0.13 -0.31 0.23 0.00 0.00 176.35 176.50 1wic s TYR 28 N -1.18 1.61 -1.04 0.29 2.02 -1.26 0.06 117.35 117.85 1wic s TYR 28 Ca 0.22 -1.79 -0.20 0.00 -0.37 0.00 0.00 57.07 54.93 1wic s TYR 28 Cb -0.13 -1.65 0.10 0.00 -0.40 0.00 0.00 41.96 39.89 1wic s TYR 28 CO 0.11 -0.86 1.36 -0.06 -1.57 0.00 0.00 175.55 174.53 1wic s PHE 29 N 1.42 2.91 0.00 2.71 0.40 -1.26 -4.72 117.98 119.44 1wic s PHE 29 Ca 0.11 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 55.14 1wic s PHE 29 Cb -0.19 -4.50 0.00 0.00 0.51 0.00 0.00 43.02 38.85 1wic s PHE 29 CO -0.20 -1.68 0.00 0.41 0.70 0.00 0.00 175.22 174.44 1wic n GLY 30 N 5.84 3.61 3.71 4.36 0.00 -1.26 -4.75 105.19 116.71 1wic n GLY 30 Ca 0.32 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1wic n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 31 N 0.00 4.97 0.38 1.61 0.01 -1.26 -5.00 113.70 114.40 1wic s SER 31 Ca 0.00 -0.42 0.15 0.00 1.31 0.00 0.00 55.95 56.98 1wic s SER 31 Cb 0.00 -1.10 0.99 0.00 0.21 0.00 0.00 66.02 66.12 1wic s SER 31 CO 0.00 0.02 1.79 0.40 0.41 0.00 0.00 173.24 175.86 1wic h ILE 32 N 1.94 0.61 -2.78 1.44 2.04 -2.01 -3.41 117.51 115.34 1wic h ILE 32 Ca -0.46 -0.17 -0.27 0.00 1.00 0.00 0.00 64.86 64.95 1wic h ILE 32 Cb 1.23 0.07 0.13 0.00 -0.74 0.00 0.00 36.82 37.51 1wic h ILE 32 CO 0.60 0.09 0.09 -0.62 0.00 0.00 0.00 178.15 178.31 1wic n GLU 33 N -4.64 -2.41 -1.17 2.37 1.02 -1.26 -4.94 120.64 109.61 1wic n GLU 33 Ca 0.23 -1.19 -0.20 0.00 -0.02 0.00 0.00 57.16 55.97 1wic n GLU 33 Cb 0.74 -1.11 0.19 0.00 -0.02 0.00 0.00 31.44 31.25 1wic n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wic n SER 34 N -4.25 3.71 0.00 1.62 3.41 -1.26 -4.91 113.62 111.94 1wic n SER 34 Ca 0.10 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1wic n SER 34 Cb 0.40 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wic n GLY 35 N -1.06 -1.80 3.46 5.00 0.00 -1.26 -5.05 105.19 104.48 1wic n GLY 35 Ca 0.55 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1wic n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wic s GLU 36 N 0.00 1.64 -1.24 1.61 8.01 -1.26 -5.02 118.70 122.43 1wic s GLU 36 Ca 0.00 -1.72 -0.08 0.00 0.01 0.00 0.00 54.97 53.18 1wic s GLU 36 Cb 0.00 -1.75 0.19 0.00 -4.31 0.00 0.00 34.13 28.26 1wic s GLU 36 CO 0.00 0.33 1.80 1.63 0.01 0.00 0.00 175.26 179.03 1wic n LYS 37 N -0.46 3.78 -4.53 1.61 5.02 -1.26 -4.39 118.16 117.93 1wic n LYS 37 Ca -0.06 -3.73 -0.21 0.00 -2.02 0.00 0.00 58.31 52.29 1wic n LYS 37 Cb 0.59 -2.85 -0.15 0.00 -0.02 0.00 0.00 35.03 32.61 1wic n LYS 37 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wic s LYS 38 N -0.21 1.01 0.00 1.97 2.36 -1.26 -4.54 119.74 119.07 1wic s LYS 38 Ca 0.38 -0.51 0.02 0.00 -2.55 0.00 0.00 55.97 53.31 1wic s LYS 38 Cb 0.09 -0.98 -0.04 0.00 -1.05 0.00 0.00 37.83 35.85 1wic s LYS 38 CO 0.02 0.26 -0.02 -0.08 1.55 0.00 0.00 175.35 177.09 1wic s THR 39 N -0.41 3.98 -0.21 3.43 -1.32 -0.71 -4.66 115.64 115.75 1wic s THR 39 Ca 0.04 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 59.85 1wic s THR 39 Cb -0.05 -2.77 0.03 0.00 -1.51 0.00 0.00 72.50 68.19 1wic s THR 39 CO -0.00 0.37 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.41 1wic s LEU 40 N -1.55 2.65 -0.03 9.08 2.96 -1.26 0.49 118.68 131.02 1wic s LEU 40 Ca 0.19 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.10 1wic s LEU 40 Cb -0.11 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1wic s LEU 40 CO 0.10 -0.06 0.49 -0.63 -1.32 0.00 0.00 176.35 174.93 1wic s ILE 41 N 1.27 5.02 -0.05 6.68 1.01 0.19 -4.68 121.20 130.65 1wic s ILE 41 Ca 0.01 1.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 1wic s ILE 41 Cb -0.15 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1wic s ILE 41 CO -0.09 0.45 -0.00 -0.69 0.00 0.00 0.00 174.94 174.61 1wic s VAL 42 N -0.29 4.20 -0.26 2.92 1.01 0.28 0.68 120.40 128.94 1wic s VAL 42 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1wic s VAL 42 Cb -0.17 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.48 1wic s VAL 42 CO 0.14 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 174.99 1wic s LEU 43 N -1.18 2.62 -0.45 3.92 1.43 -1.10 -1.39 118.68 122.54 1wic s LEU 43 Ca 0.16 -1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 1wic s LEU 43 Cb -0.11 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.05 1wic s LEU 43 CO 0.06 -0.30 0.42 -0.89 0.23 0.00 0.00 176.35 175.87 1wic s THR 44 N 1.43 5.14 -0.35 5.49 2.01 -1.14 -1.65 115.64 126.57 1wic s THR 44 Ca 0.00 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1wic s THR 44 Cb -0.18 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1wic s THR 44 CO -0.11 -0.50 1.30 0.21 -0.69 0.00 0.00 174.62 174.84 1wic s ASN 45 N 2.12 6.60 -0.03 3.53 2.47 -0.69 -0.19 114.94 128.74 1wic s ASN 45 Ca 0.09 1.03 0.11 0.00 0.42 0.00 0.00 52.86 54.51 1wic s ASN 45 Cb -0.20 -2.54 -0.23 0.00 -1.45 0.00 0.00 41.25 36.83 1wic s ASN 45 CO 0.11 -1.18 0.69 -0.37 -3.72 0.00 0.00 177.10 172.63 1wic h VAL 46 N 6.10 0.90 -4.13 -5.21 -1.51 -1.72 -0.80 116.25 109.88 1wic h VAL 46 Ca -0.26 -2.74 -0.53 0.00 -1.23 0.00 0.00 66.70 61.95 1wic h VAL 46 Cb 1.09 2.45 0.12 0.00 -2.13 0.00 0.00 31.29 32.83 1wic h VAL 46 CO 1.06 0.53 0.44 0.42 -1.23 0.00 0.00 177.57 178.79 1wic s THR 47 N -2.60 2.61 -0.31 7.19 -4.23 -1.18 -4.71 115.64 112.41 1wic s THR 47 Ca -0.05 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1wic s THR 47 Cb 0.08 -3.05 0.42 0.00 1.34 0.00 0.00 72.50 71.30 1wic s THR 47 CO 0.82 -0.11 1.53 1.17 -0.54 0.00 0.00 174.62 177.49 1wic n LYS 48 N -1.95 1.95 -3.80 3.99 0.00 -1.26 -3.91 118.16 113.18 1wic n LYS 48 Ca 0.13 -1.86 -0.13 0.00 0.00 0.00 0.00 58.31 56.45 1wic n LYS 48 Cb 0.50 -1.75 -0.13 0.00 0.00 0.00 0.00 35.03 33.65 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1wic s ASN 49 N -0.42 -0.16 0.18 3.14 0.01 -1.26 -4.89 114.94 111.54 1wic s ASN 49 Ca 0.35 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 1wic s ASN 49 Cb 0.29 0.29 -0.17 0.00 0.41 0.00 0.00 41.25 42.08 1wic s ASN 49 CO 0.07 -0.08 0.73 -0.38 -1.51 0.00 0.00 177.10 175.93 1wic n ILE 50 N 3.30 1.58 -4.18 0.60 5.41 -1.26 -4.57 119.36 120.24 1wic n ILE 50 Ca -0.16 -0.39 -0.24 0.00 1.00 0.00 0.00 62.75 62.95 1wic n ILE 50 Cb 0.57 -0.20 -0.17 0.00 -0.71 0.00 0.00 39.64 39.13 1wic n ILE 50 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1wic s VAL 51 N -0.77 0.91 -0.10 1.39 1.01 -1.20 0.14 120.40 121.79 1wic s VAL 51 Ca 0.69 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 1wic s VAL 51 Cb -0.95 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1wic s VAL 51 CO 0.56 0.33 0.68 0.00 0.00 0.00 0.00 175.10 176.67 1wic s ALA 52 N 1.22 3.39 0.26 5.51 0.00 0.81 -0.41 121.76 132.54 1wic s ALA 52 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.07 1wic s ALA 52 Cb -0.14 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1wic s ALA 52 CO -0.02 -0.20 -0.16 -0.59 0.00 0.00 0.00 175.76 174.80 1wic s PHE 53 N 1.04 2.41 -0.03 0.00 -0.12 0.13 -0.41 117.98 120.99 1wic s PHE 53 Ca 0.35 -0.30 -0.15 0.00 -0.05 0.00 0.00 56.93 56.78 1wic s PHE 53 Cb -0.17 -1.08 0.03 0.00 -0.63 0.00 0.00 43.02 41.17 1wic s PHE 53 CO 0.16 0.65 0.34 0.15 -0.05 0.00 0.00 175.22 176.47 1wic s LYS 54 N -3.38 0.66 -0.28 1.99 1.02 -0.24 -2.76 119.74 116.75 1wic s LYS 54 Ca 0.29 -0.07 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 1wic s LYS 54 Cb -0.06 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1wic s LYS 54 CO 0.15 -0.17 -0.04 0.08 -0.92 0.00 0.00 175.35 174.45 1wic s VAL 55 N -1.11 2.81 0.41 3.17 1.01 -1.19 0.14 120.40 125.64 1wic s VAL 55 Ca -0.12 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1wic s VAL 55 Cb -0.05 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1wic s VAL 55 CO 0.04 -0.00 0.34 -0.13 0.00 0.00 0.00 175.10 175.35 1wic s ARG 56 N 1.25 2.48 -0.01 2.72 0.52 0.50 -4.91 118.95 121.50 1wic s ARG 56 Ca -0.04 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.28 1wic s ARG 56 Cb -0.19 -2.31 0.11 0.00 0.52 0.00 0.00 34.95 33.08 1wic s ARG 56 CO -0.03 -0.18 1.15 -0.08 0.02 0.00 0.00 175.30 176.18 1wic s THR 57 N -2.49 0.00 -1.43 0.02 -1.32 -1.26 0.93 115.64 110.08 1wic s THR 57 Ca 0.47 -0.26 0.06 0.00 -1.21 0.00 0.00 61.69 60.75 1wic s THR 57 Cb -0.02 -1.67 0.24 0.00 -1.51 0.00 0.00 72.50 69.54 1wic s THR 57 CO 0.27 0.00 1.06 0.35 -2.21 0.00 0.00 174.62 174.09 1wic n THR 58 N -0.37 0.60 -2.74 5.08 -2.24 -0.95 -4.22 114.28 109.43 1wic n THR 58 Ca -0.06 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1wic n THR 58 Cb 0.61 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1wic n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wic n ALA 59 N 0.22 -1.97 0.93 6.98 0.00 -1.26 -4.97 120.51 120.42 1wic n ALA 59 Ca 0.09 -1.05 0.11 0.00 0.00 0.00 0.00 53.44 52.59 1wic n ALA 59 Cb 0.37 -1.72 0.52 0.00 0.00 0.00 0.00 19.45 18.62 1wic n ALA 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wic n PRO 60 N 2.19 0.18 -1.13 0.00 -0.04 -1.26 -2.65 135.00 132.29 1wic n PRO 60 Ca 0.12 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.52 1wic n PRO 60 Cb 0.61 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.73 1wic n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wic n GLU 61 N -1.38 2.25 0.00 0.54 0.28 -1.26 -4.50 120.64 116.57 1wic n GLU 61 Ca 0.08 -3.29 0.00 0.00 -0.16 0.00 0.00 57.16 53.79 1wic n GLU 61 Cb 0.21 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.07 1wic n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wic n LYS 62 N -1.05 0.00 -3.67 3.44 5.02 -1.09 -4.97 118.16 115.82 1wic n LYS 62 Ca 0.45 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.37 1wic n LYS 62 Cb 1.12 -0.15 -0.11 0.00 -0.02 0.00 0.00 35.03 35.87 1wic n LYS 62 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wic s TYR 63 N -1.61 3.23 -0.80 2.13 2.02 -1.09 0.39 117.35 121.62 1wic s TYR 63 Ca 0.00 0.05 -0.26 0.00 -0.37 0.00 0.00 57.07 56.49 1wic s TYR 63 Cb 0.00 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1wic s TYR 63 CO 0.00 -0.10 1.35 0.50 -1.57 0.00 0.00 175.55 175.73 1wic s ARG 64 N 1.41 3.25 -0.32 -0.62 3.52 0.57 -4.79 118.95 121.98 1wic s ARG 64 Ca 0.07 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.15 1wic s ARG 64 Cb -0.15 -4.46 -0.02 0.00 -1.56 0.00 0.00 34.95 28.76 1wic s ARG 64 CO 0.07 -2.20 0.21 0.14 -0.81 0.00 0.00 175.30 172.70 1wic s VAL 65 N 5.77 5.11 -0.24 7.11 -7.23 -1.25 -2.08 120.40 127.59 1wic s VAL 65 Ca 0.39 -0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 60.22 1wic s VAL 65 Cb -0.06 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.37 1wic s VAL 65 CO 0.09 0.06 0.59 -0.75 -0.31 0.00 0.00 175.10 174.79 1wic s LYS 66 N 1.70 0.63 0.43 4.82 2.20 -0.75 -3.60 119.74 125.17 1wic s LYS 66 Ca 0.06 1.01 -0.23 0.00 -0.36 0.00 0.00 55.97 56.45 1wic s LYS 66 Cb -0.17 0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.22 1wic s LYS 66 CO 0.09 -0.13 1.05 -1.25 -0.36 0.00 0.00 175.35 174.75 1wic s PRO 67 N 1.22 4.03 0.00 4.03 0.04 -1.25 -0.42 135.00 142.64 1wic s PRO 67 Ca -0.07 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.52 1wic s PRO 67 Cb -0.06 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1wic s PRO 67 CO -0.12 -0.25 0.76 -1.13 0.04 0.00 0.00 177.00 176.29 1wic n SER 68 N -0.39 1.68 -3.38 6.66 3.41 -1.24 -4.66 113.62 115.70 1wic n SER 68 Ca 0.07 -1.34 -0.04 0.00 -0.26 0.00 0.00 58.87 57.29 1wic n SER 68 Cb 0.51 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1wic n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wic s ASN 69 N -0.72 -0.49 0.00 4.04 2.20 -1.26 -3.19 114.94 115.52 1wic s ASN 69 Ca 0.10 0.72 0.00 0.00 -0.94 0.00 0.00 52.86 52.73 1wic s ASN 69 Cb 0.07 1.61 0.00 0.00 -2.00 0.00 0.00 41.25 40.93 1wic s ASN 69 CO 0.11 -0.27 0.00 -0.24 -2.94 0.00 0.00 177.10 173.76 1wic n SER 70 N 5.40 0.00 -4.12 3.54 2.88 -1.11 -4.85 113.62 115.35 1wic n SER 70 Ca -0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.41 1wic n SER 70 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 71 N -4.00 0.64 -0.19 -3.46 0.15 -1.26 0.22 113.70 105.79 1wic s SER 71 Ca 0.00 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.64 1wic s SER 71 Cb 0.00 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1wic s SER 71 CO 0.00 -0.58 -0.15 0.00 1.20 0.00 0.00 173.24 173.71 1wic n ASP 73 N 4.62 -3.79 -4.67 0.00 8.00 -1.26 -3.26 116.55 116.19 1wic n ASP 73 Ca -0.18 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 1wic n ASP 73 Cb 0.48 -1.00 -0.02 0.00 -0.02 0.00 0.00 41.12 40.56 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wic s PRO 74 N -2.91 4.26 0.00 -0.24 0.04 -1.26 -3.24 135.00 131.66 1wic s PRO 74 Ca 0.49 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1wic s PRO 74 Cb -0.19 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1wic s PRO 74 CO 0.74 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1wic n GLY 75 N 3.56 0.90 3.36 0.56 0.00 -0.31 -4.95 105.19 108.31 1wic n GLY 75 Ca 0.13 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic s ALA 76 N -2.77 1.52 -0.02 4.61 0.00 -1.20 -4.99 121.76 118.92 1wic s ALA 76 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.05 1wic s ALA 76 Cb 0.00 1.37 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1wic s ALA 76 CO 0.00 -0.71 0.01 -1.54 0.00 0.00 0.00 175.76 173.52 1wic s SER 77 N -3.34 0.18 0.45 0.00 1.04 -1.26 -1.71 113.70 109.07 1wic s SER 77 Ca 0.37 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.89 1wic s SER 77 Cb 0.01 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1wic s SER 77 CO 0.26 -0.09 0.47 -0.51 0.98 0.00 0.00 173.24 174.35 1wic s ILE 78 N 0.79 2.57 -0.09 -1.02 2.07 -0.66 -4.90 121.20 119.96 1wic s ILE 78 Ca -0.07 -1.25 -0.00 0.00 -1.41 0.00 0.00 60.65 57.92 1wic s ILE 78 Cb -0.10 -2.82 0.02 0.00 0.13 0.00 0.00 42.46 39.69 1wic s ILE 78 CO -0.02 0.00 -0.06 -1.81 -1.91 0.00 0.00 174.94 171.14 1wic s ASP 79 N -4.25 1.85 -0.34 4.50 1.01 -1.26 -2.72 116.67 115.47 1wic s ASP 79 Ca 0.50 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.53 1wic s ASP 79 Cb -0.05 -0.70 0.08 0.00 1.01 0.00 0.00 42.92 43.27 1wic s ASP 79 CO 0.29 -0.11 0.05 -0.63 0.21 0.00 0.00 175.17 174.98 1wic s ILE 80 N 1.58 2.75 0.38 0.77 -1.09 0.21 -3.93 121.20 121.86 1wic s ILE 80 Ca 0.01 -1.88 -0.24 0.00 -2.23 0.00 0.00 60.65 56.31 1wic s ILE 80 Cb -0.13 -2.79 -0.09 0.00 -1.58 0.00 0.00 42.46 37.86 1wic s ILE 80 CO -0.05 -0.39 1.01 -0.63 -1.23 0.00 0.00 174.94 173.65 1wic s ILE 81 N 1.10 3.90 -0.29 2.92 1.09 0.44 0.56 121.20 130.92 1wic s ILE 81 Ca 0.02 1.47 -0.04 0.00 -1.10 0.00 0.00 60.65 61.01 1wic s ILE 81 Cb -0.20 -3.77 0.10 0.00 -1.06 0.00 0.00 42.46 37.53 1wic s ILE 81 CO -0.04 0.02 0.13 -0.69 -0.10 0.00 0.00 174.94 174.26 1wic s VAL 82 N -1.68 -0.04 -0.09 2.92 1.01 0.18 -1.80 120.40 120.90 1wic s VAL 82 Ca 0.56 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1wic s VAL 82 Cb -0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1wic s VAL 82 CO 0.26 -0.74 -0.23 -0.55 0.00 0.00 0.00 175.10 173.83 1wic s SER 83 N 2.03 2.96 0.88 3.32 0.15 -0.88 -1.73 113.70 120.43 1wic s SER 83 Ca 0.10 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 1wic s SER 83 Cb -0.16 -1.26 0.12 0.00 -1.71 0.00 0.00 66.02 63.01 1wic s SER 83 CO -0.35 0.16 1.13 -2.16 1.20 0.00 0.00 173.24 173.22 1wic s PRO 84 N 0.28 1.40 0.32 5.44 0.04 -1.26 0.21 135.00 141.43 1wic s PRO 84 Ca -0.16 0.39 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 1wic s PRO 84 Cb -0.17 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1wic s PRO 84 CO 0.08 -2.04 1.47 -1.01 0.04 0.00 0.00 177.00 175.54 1wic s HIS 85 N -3.24 2.82 -0.98 0.56 3.76 0.16 -4.78 115.29 113.59 1wic s HIS 85 Ca 0.63 1.08 -0.25 0.00 -0.15 0.00 0.00 55.06 56.37 1wic s HIS 85 Cb -0.15 -3.92 -0.13 0.00 1.11 0.00 0.00 32.58 29.49 1wic s HIS 85 CO 0.54 -2.86 2.12 0.20 -0.85 0.00 0.00 174.74 173.88 1wic s GLY 86 N 0.08 -0.44 0.00 -2.22 0.00 -1.26 -3.19 107.32 100.29 1wic s GLY 86 Ca 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1wic s GLY 86 CO 0.53 3.92 0.00 0.61 0.00 0.00 0.00 173.10 178.15 1wic n GLY 87 N 6.45 -0.90 2.48 0.20 0.00 -1.26 -5.14 105.19 107.01 1wic n GLY 87 Ca 0.43 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.68 1wic n GLY 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wic n LEU 88 N 0.00 0.00 -4.57 0.99 -0.00 -1.19 -5.04 117.00 107.18 1wic n LEU 88 Ca 0.00 -0.50 -0.26 0.00 -0.00 0.00 0.00 56.01 55.25 1wic n LEU 88 Cb 0.00 -0.69 -0.11 0.00 -0.00 0.00 0.00 43.42 42.62 1wic n LEU 88 CO 0.00 -2.37 -0.28 0.28 -0.00 0.00 0.00 177.39 175.02 1wic s THR 89 N -1.81 1.65 -0.47 1.47 -1.32 -1.26 -4.91 115.64 108.99 1wic s THR 89 Ca 0.38 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.70 1wic s THR 89 Cb -0.07 -2.86 0.06 0.00 -1.51 0.00 0.00 72.50 68.12 1wic s THR 89 CO 0.32 0.00 0.45 -0.69 -2.21 0.00 0.00 174.62 172.49 1wic s VAL 90 N -2.92 5.13 0.40 5.08 1.01 -1.26 -5.04 120.40 122.79 1wic s VAL 90 Ca 0.33 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1wic s VAL 90 Cb 0.09 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1wic s VAL 90 CO 0.16 -0.60 0.35 -0.44 0.00 0.00 0.00 175.10 174.57 1wic s SER 91 N 2.48 5.10 -0.35 3.32 0.01 -1.26 -4.91 113.70 118.08 1wic s SER 91 Ca 0.08 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1wic s SER 91 Cb -0.22 -0.67 0.33 0.00 0.21 0.00 0.00 66.02 65.68 1wic s SER 91 CO 0.09 -0.58 1.83 0.00 0.41 0.00 0.00 173.24 175.00 1wic n ALA 92 N -1.50 5.01 -0.03 1.44 0.00 -1.26 -3.80 120.51 120.37 1wic n ALA 92 Ca 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1wic n ALA 92 Cb 0.61 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1wic n ALA 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wic n GLN 93 N -0.20 1.25 -2.32 0.00 6.02 -1.26 -4.97 117.38 115.90 1wic n GLN 93 Ca 0.38 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 57.03 1wic n GLN 93 Cb 0.86 -1.29 0.02 0.00 1.02 0.00 0.00 30.24 30.85 1wic n GLN 93 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wic s ASP 94 N -3.88 5.87 0.02 1.08 -4.77 -1.25 -5.07 116.67 108.67 1wic s ASP 94 Ca -0.05 0.94 -0.12 0.00 -3.30 0.00 0.00 52.55 50.02 1wic s ASP 94 Cb 0.06 -2.01 0.01 0.00 -1.09 0.00 0.00 42.92 39.89 1wic s ASP 94 CO 0.48 -0.92 0.25 -0.13 0.70 0.00 0.00 175.17 175.55 1wic s ARG 95 N -4.99 0.68 0.16 2.11 1.81 -1.26 -4.45 118.95 113.01 1wic s ARG 95 Ca 0.53 -0.41 0.10 0.00 -1.72 0.00 0.00 55.73 54.23 1wic s ARG 95 Cb -0.11 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.64 1wic s ARG 95 CO 0.47 -0.19 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.64 1wic s PHE 96 N -1.93 2.44 -0.25 -0.53 0.08 0.09 -2.24 117.98 115.63 1wic s PHE 96 Ca -0.10 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 1wic s PHE 96 Cb -0.04 -1.24 0.08 0.00 -0.57 0.00 0.00 43.02 41.26 1wic s PHE 96 CO 0.00 0.45 0.10 -1.17 -0.10 0.00 0.00 175.22 174.50 1wic s LEU 97 N -2.48 0.99 -0.09 -0.37 1.98 0.26 0.10 118.68 119.09 1wic s LEU 97 Ca 0.20 -1.15 -0.18 0.00 -2.89 0.00 0.00 54.13 50.11 1wic s LEU 97 Cb -0.09 -0.49 -0.05 0.00 0.66 0.00 0.00 46.19 46.22 1wic s LEU 97 CO 0.10 -0.39 0.46 -0.63 -1.89 0.00 0.00 176.35 174.01 1wic s ILE 98 N 1.96 5.14 0.18 6.68 1.01 0.44 0.19 121.20 136.80 1wic s ILE 98 Ca 0.06 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.72 1wic s ILE 98 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1wic s ILE 98 CO -0.24 0.38 -0.01 -0.04 0.00 0.00 0.00 174.94 175.03 1wic s MET 99 N 0.24 2.36 -0.29 2.79 -1.94 0.38 0.42 119.30 123.25 1wic s MET 99 Ca 0.25 -1.15 -0.07 0.00 -1.71 0.00 0.00 55.69 53.01 1wic s MET 99 Cb -0.16 -2.32 0.14 0.00 2.01 0.00 0.00 34.83 34.51 1wic s MET 99 CO 0.11 0.45 0.60 0.00 -0.01 0.00 0.00 175.02 176.17 1wic s ALA 100 N -1.77 -1.96 -0.01 3.03 0.00 0.09 -1.08 121.76 120.07 1wic s ALA 100 Ca 0.27 2.07 0.04 0.00 0.00 0.00 0.00 51.96 54.35 1wic s ALA 100 Cb -0.09 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1wic s ALA 100 CO 0.18 -1.02 -0.13 0.00 0.00 0.00 0.00 175.76 174.79 1wic s ALA 101 N 2.84 1.12 0.06 0.00 0.00 0.45 0.19 121.76 126.41 1wic s ALA 101 Ca 0.02 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1wic s ALA 101 Cb -0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 1wic s ALA 101 CO -0.19 0.27 1.41 -2.00 0.00 0.00 0.00 175.76 175.25 1wic s GLU 102 N -0.28 4.30 0.52 0.00 -6.30 -1.26 -0.13 118.70 115.54 1wic s GLU 102 Ca 0.04 2.03 0.05 0.00 -2.50 0.00 0.00 54.97 54.59 1wic s GLU 102 Cb -0.06 -3.43 0.04 0.00 0.00 0.00 0.00 34.13 30.68 1wic s GLU 102 CO -0.00 -0.52 0.72 -1.64 0.02 0.00 0.00 175.26 173.84 1wic s MET 103 N 1.83 2.53 0.00 4.30 -1.94 0.38 -4.87 119.30 121.53 1wic s MET 103 Ca 0.65 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1wic s MET 103 Cb -0.34 -2.60 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1wic s MET 103 CO 0.29 -0.64 0.00 0.39 -0.01 0.00 0.00 175.02 175.05 1wic n GLU 104 N -2.19 1.80 0.00 2.03 1.02 -1.26 -4.41 120.64 117.62 1wic n GLU 104 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1wic n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wic n GLN 105 N 0.00 0.00 -3.15 3.49 10.64 -1.26 -4.12 117.38 122.98 1wic n GLN 105 Ca 0.00 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.73 1wic n GLN 105 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wic s SER 106 N -0.81 6.21 0.01 2.61 0.01 -1.26 -4.62 113.70 115.84 1wic s SER 106 Ca 0.00 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.21 1wic s SER 106 Cb 0.00 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1wic s SER 106 CO 0.00 -0.94 0.00 -0.44 0.41 0.00 0.00 173.24 172.27 1wic s SER 107 N 2.91 0.10 0.10 2.44 0.01 -1.26 -5.15 113.70 112.85 1wic s SER 107 Ca 0.14 -0.22 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1wic s SER 107 Cb -0.20 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.03 1wic s SER 107 CO 0.10 -0.16 0.63 -0.83 0.41 0.00 0.00 173.24 173.39 1wic s GLY 108 N -0.74 2.74 -1.22 3.44 0.00 -1.26 -4.98 107.32 105.28 1wic s GLY 108 Ca -0.08 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 1wic s GLY 108 CO -0.00 0.56 2.19 -1.30 0.00 0.00 0.00 173.10 174.56 1wic n THR 109 N 1.65 5.54 -3.24 0.90 -2.24 -1.26 -4.37 114.28 111.27 1wic n THR 109 Ca -0.09 -4.89 -0.10 0.00 -2.27 0.00 0.00 64.05 56.71 1wic n THR 109 Cb 0.50 -1.90 0.02 0.00 -2.10 0.00 0.00 70.33 66.85 1wic n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wic n GLY 110 N 1.13 2.27 0.22 3.38 0.00 -1.26 -4.75 105.19 106.18 1wic n GLY 110 Ca 0.57 -2.19 0.14 0.00 0.00 0.00 0.00 46.02 44.54 1wic n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic h PRO 111 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.97 132.00 128.84 1wic h PRO 111 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1wic h PRO 111 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1wic h PRO 111 CO 0.20 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.97 1wic n ALA 112 N -2.03 0.00 -0.23 -0.56 0.00 -1.26 -3.31 120.51 113.13 1wic n ALA 112 Ca 0.03 -0.12 0.22 0.00 0.00 0.00 0.00 53.44 53.56 1wic n ALA 112 Cb 0.40 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.24 1wic n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 113 N -2.01 -0.04 0.01 0.00 -0.58 -1.26 0.62 120.64 117.38 1wic n GLU 113 Ca 0.00 0.97 -0.00 0.00 -0.42 0.00 0.00 57.16 57.71 1wic n GLU 113 Cb 0.00 -1.73 -0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1wic n GLU 113 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wic h LEU 114 N 0.00 -0.01 -0.93 -4.62 -0.00 -1.72 0.85 115.31 108.88 1wic h LEU 114 Ca 0.58 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 58.74 1wic h LEU 114 Cb 1.53 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.03 1wic h LEU 114 CO -0.55 -0.01 0.22 -1.28 -0.00 0.00 0.00 178.44 176.82 1wic h SER 115 N -0.02 -0.10 -0.31 -0.43 0.87 -0.39 2.56 113.55 115.73 1wic h SER 115 Ca -0.00 0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1wic h SER 115 Cb 0.01 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1wic h SER 115 CO 0.00 -0.26 0.06 1.56 -0.53 0.00 0.00 176.83 177.67 1wic h GLN 116 N 0.12 0.61 0.00 2.24 4.20 0.18 1.51 115.11 123.97 1wic h GLN 116 Ca 0.61 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 59.18 1wic h GLN 116 Cb 1.31 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1wic h GLN 116 CO -0.75 0.59 -0.64 0.35 -0.67 0.00 0.00 178.83 177.71 1wic h PHE 117 N 0.59 0.00 0.00 2.96 3.57 0.54 -2.68 116.94 121.92 1wic h PHE 117 Ca 0.13 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.41 1wic h PHE 117 Cb 0.29 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1wic h PHE 117 CO 0.01 0.09 -1.46 -1.49 -2.23 0.00 0.00 178.31 173.23 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.42 -0.48 115.95 120.36 1wic h TRP 118 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1wic h TRP 118 Cb 1.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1wic h TRP 118 CO 0.00 0.77 -0.13 1.57 -3.56 0.00 0.00 178.44 177.09 1wic h LYS 119 N 0.00 0.00 0.02 0.49 5.09 0.20 -3.33 116.57 119.05 1wic h LYS 119 Ca -0.20 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.17 1wic h LYS 119 Cb 1.76 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.04 1wic h LYS 119 CO 0.07 0.08 -2.12 0.39 -2.09 0.00 0.00 179.45 175.78 1wic n GLU 120 N -3.10 0.63 -2.15 0.07 1.02 -1.01 -4.88 120.64 111.21 1wic n GLU 120 Ca 0.03 0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 57.06 1wic n GLU 120 Cb 0.57 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wic s VAL 121 N -2.49 3.76 0.84 2.62 0.11 -0.19 -4.99 120.40 120.06 1wic s VAL 121 Ca -0.32 0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 1wic s VAL 121 Cb 0.10 -3.64 0.10 0.00 -1.53 0.00 0.00 36.38 31.41 1wic s VAL 121 CO 0.59 -0.07 1.11 -2.16 -3.33 0.00 0.00 175.10 171.25 1wic s PRO 122 N 3.52 1.72 0.00 1.54 0.04 -1.26 -4.76 135.00 135.81 1wic s PRO 122 Ca 0.67 0.50 0.23 0.00 0.04 0.00 0.00 61.00 62.44 1wic s PRO 122 Cb -0.30 -1.89 1.35 0.00 0.04 0.00 0.00 34.50 33.70 1wic s PRO 122 CO 0.25 -1.84 1.78 2.89 0.04 0.00 0.00 177.00 180.12 1wic n ARG 123 N -3.56 0.84 0.00 4.56 0.00 -1.26 -2.01 116.66 115.23 1wic n ARG 123 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.01 1wic n ARG 123 Cb 0.57 -1.42 -0.10 0.00 -0.00 0.00 0.00 32.46 31.51 1wic n ARG 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wic n ASN 124 N -0.92 0.95 -0.02 2.89 2.85 -1.26 -4.24 115.26 115.51 1wic n ASN 124 Ca 0.17 -0.98 0.03 0.00 -0.11 0.00 0.00 54.58 53.70 1wic n ASN 124 Cb 0.08 0.96 -0.11 0.00 1.24 0.00 0.00 39.78 41.95 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wic n LYS 125 N -1.35 0.81 -3.75 1.20 4.76 -0.85 -4.97 118.16 114.02 1wic n LYS 125 Ca 0.04 -0.10 -0.35 0.00 -2.87 0.00 0.00 58.31 55.04 1wic n LYS 125 Cb 0.30 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 1wic n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wic s VAL 126 N -2.81 5.29 -0.26 -0.18 0.11 -0.94 -4.56 120.40 117.05 1wic s VAL 126 Ca -0.06 0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.93 1wic s VAL 126 Cb 0.08 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1wic s VAL 126 CO 0.58 0.36 0.83 -0.32 -3.33 0.00 0.00 175.10 173.22 1wic s MET 127 N -1.77 4.14 -0.26 1.54 1.75 0.51 -4.84 119.30 120.37 1wic s MET 127 Ca 0.28 0.89 -0.10 0.00 -1.25 0.00 0.00 55.69 55.51 1wic s MET 127 Cb -0.13 -3.66 -0.05 0.00 2.84 0.00 0.00 34.83 33.83 1wic s MET 127 CO 0.16 -0.56 0.15 -1.21 -0.65 0.00 0.00 175.02 172.92 1wic s GLU 128 N 2.90 3.95 -0.13 4.11 2.02 -1.26 -0.73 118.70 129.56 1wic s GLU 128 Ca 0.35 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 55.01 1wic s GLU 128 Cb -0.15 -3.54 0.03 0.00 0.10 0.00 0.00 34.13 30.56 1wic s GLU 128 CO 0.08 -0.07 -0.09 -1.58 0.02 0.00 0.00 175.26 173.62 1wic s HIS 129 N 1.42 1.71 0.01 1.61 2.46 0.17 -4.98 115.29 117.69 1wic s HIS 129 Ca 0.07 -0.92 -0.17 0.00 0.47 0.00 0.00 55.06 54.51 1wic s HIS 129 Cb -0.15 -1.35 -0.06 0.00 -0.13 0.00 0.00 32.58 30.89 1wic s HIS 129 CO 0.07 -0.57 0.47 1.03 -2.47 0.00 0.00 174.74 173.27 1wic s ARG 130 N 1.63 4.05 0.06 2.88 3.00 -1.26 0.17 118.95 129.49 1wic s ARG 130 Ca 0.05 0.52 0.09 0.00 0.00 0.00 0.00 55.73 56.38 1wic s ARG 130 Cb -0.13 -3.25 -0.03 0.00 0.00 0.00 0.00 34.95 31.54 1wic s ARG 130 CO -0.09 0.62 -0.24 -0.51 0.00 0.00 0.00 175.30 175.07 1wic s LEU 131 N -0.90 2.32 0.28 2.53 1.43 0.29 -4.77 118.68 119.87 1wic s LEU 131 Ca 0.26 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1wic s LEU 131 Cb -0.17 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1wic s LEU 131 CO 0.15 0.24 -0.00 0.00 0.23 0.00 0.00 176.35 176.97 1wic s ARG 132 N -1.47 2.25 -0.18 1.70 1.70 -1.26 -0.74 118.95 120.94 1wic s ARG 132 Ca 0.13 -1.48 -0.03 0.00 -0.47 0.00 0.00 55.73 53.88 1wic s ARG 132 Cb -0.10 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.14 1wic s ARG 132 CO 0.04 0.32 -0.06 0.00 -1.08 0.00 0.00 175.30 174.52 1wic s HIS 134 N 0.91 3.59 0.20 0.00 2.46 0.11 -4.52 115.29 118.03 1wic s HIS 134 Ca -0.01 1.05 0.09 0.00 0.47 0.00 0.00 55.06 56.66 1wic s HIS 134 Cb -0.15 -2.59 -0.04 0.00 -0.13 0.00 0.00 32.58 29.67 1wic s HIS 134 CO 0.01 0.25 -0.17 0.95 -2.47 0.00 0.00 174.74 173.30 1wic s THR 135 N 0.28 1.89 -0.14 0.89 -4.23 -1.26 -4.60 115.64 108.47 1wic s THR 135 Ca 0.29 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1wic s THR 135 Cb -0.17 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1wic s THR 135 CO 0.14 -0.43 0.05 -0.69 -0.54 0.00 0.00 174.62 173.15 1wic s VAL 136 N -2.47 0.17 0.24 2.29 1.01 -1.26 -5.04 120.40 115.33 1wic s VAL 136 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1wic s VAL 136 Cb -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1wic s VAL 136 CO 0.08 -0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 1wic n GLU 137 N 5.19 -4.40 -2.59 2.72 4.71 -1.26 -4.84 120.64 120.18 1wic n GLU 137 Ca -0.07 3.19 -0.43 0.00 -0.01 0.00 0.00 57.16 59.84 1wic n GLU 137 Cb 0.49 -3.41 -0.02 0.00 -1.01 0.00 0.00 31.44 27.48 1wic n GLU 137 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1wic s SER 138 N -1.09 6.96 0.84 1.62 0.15 -1.26 -5.01 113.70 115.92 1wic s SER 138 Ca 0.00 1.27 -0.11 0.00 0.70 0.00 0.00 55.95 57.81 1wic s SER 138 Cb 0.00 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 1wic s SER 138 CO 0.00 -0.81 1.15 -0.44 1.20 0.00 0.00 173.24 174.34 1wic s SER 139 N 1.67 3.50 0.54 5.45 0.01 -1.26 -4.78 113.70 118.83 1wic s SER 139 Ca 0.47 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1wic s SER 139 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1wic s SER 139 CO 0.13 -2.72 0.00 0.29 0.41 0.00 0.00 173.24 171.35 1wic n LYS 140 N -3.74 -3.32 -1.52 12.44 4.76 -1.26 -4.94 118.16 120.58 1wic n LYS 140 Ca 0.12 2.65 -0.30 0.00 -2.87 0.00 0.00 58.31 57.90 1wic n LYS 140 Cb 0.52 -3.52 0.21 0.00 -1.84 0.00 0.00 35.03 30.40 1wic n LYS 140 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wic s PRO 141 N -4.73 -0.27 0.41 1.97 0.04 -1.26 -4.97 135.00 126.18 1wic s PRO 141 Ca 0.00 -0.25 -0.27 0.00 0.04 0.00 0.00 61.00 60.52 1wic s PRO 141 Cb 0.00 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.72 1wic s PRO 141 CO 0.00 -3.05 1.47 -0.80 0.04 0.00 0.00 177.00 174.66 1wic s ASN 142 N -4.41 6.15 0.57 6.66 -0.87 -1.26 -4.97 114.94 116.81 1wic s ASN 142 Ca 0.72 3.02 -0.16 0.00 -1.57 0.00 0.00 52.86 54.88 1wic s ASN 142 Cb -0.07 -2.66 -0.05 0.00 -0.02 0.00 0.00 41.25 38.45 1wic s ASN 142 CO 0.54 -1.00 1.03 -0.44 -2.57 0.00 0.00 177.10 174.66 1wic s SER 143 N -0.26 6.10 0.53 -1.22 0.01 -1.26 -4.82 113.70 112.78 1wic s SER 143 Ca 0.56 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1wic s SER 143 Cb -0.46 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.25 1wic s SER 143 CO 0.61 -0.95 0.00 0.18 0.41 0.00 0.00 173.24 173.50 1wic n LEU 144 N -1.94 -2.05 -3.64 2.44 7.99 -1.26 -5.07 117.00 113.46 1wic n LEU 144 Ca 0.08 2.92 -0.10 0.00 -0.01 0.00 0.00 56.01 58.90 1wic n LEU 144 Cb 0.53 -2.91 -0.04 0.00 -0.11 0.00 0.00 43.42 40.89 1wic n LEU 144 CO 0.48 0.11 0.22 -0.04 -1.51 0.00 0.00 177.39 176.65 1wic s MET 145 N -4.23 1.19 0.10 3.23 -1.94 -1.26 -5.14 119.30 111.25 1wic s MET 145 Ca 0.00 -0.73 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 1wic s MET 145 Cb 0.00 0.50 -0.06 0.00 2.01 0.00 0.00 34.83 37.28 1wic s MET 145 CO 0.00 -0.48 1.00 -1.17 -0.01 0.00 0.00 175.02 174.36 1wic s LEU 146 N -2.82 4.47 -0.02 -0.03 2.96 -1.26 -4.95 118.68 117.03 1wic s LEU 146 Ca 0.05 1.84 -0.07 0.00 -0.22 0.00 0.00 54.13 55.72 1wic s LEU 146 Cb 0.01 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1wic s LEU 146 CO -0.09 -0.14 -0.14 -0.24 -1.32 0.00 0.00 176.35 174.42 1wic n SER 147 N 2.93 1.37 -3.15 3.68 2.88 -1.26 -5.06 113.62 115.01 1wic n SER 147 Ca 0.03 0.21 0.05 0.00 -1.33 0.00 0.00 58.87 57.83 1wic n SER 147 Cb 0.49 -0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1wic n SER 147 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wic s GLY 148 N -4.29 -0.90 1.01 0.46 0.00 -1.26 -5.17 107.32 97.15 1wic s GLY 148 Ca -0.12 1.97 -0.15 0.00 0.00 0.00 0.00 44.72 46.42 1wic s GLY 148 CO 0.18 3.91 1.18 2.56 0.00 0.00 0.00 173.10 180.93 1wic s PRO 149 N 2.92 0.35 0.24 2.90 0.04 -1.26 -4.91 135.00 135.28 1wic s PRO 149 Ca 0.18 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1wic s PRO 149 Cb -0.06 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1wic s PRO 149 CO -0.21 -2.67 0.00 0.45 0.04 0.00 0.00 177.00 174.60 1wic n SER 150 N -4.04 -4.30 -3.35 6.66 2.88 -1.26 -5.02 113.62 105.20 1wic n SER 150 Ca 0.11 0.62 -0.13 0.00 -1.33 0.00 0.00 58.87 58.14 1wic n SER 150 Cb 0.59 -1.65 -0.08 0.00 -0.75 0.00 0.00 64.21 62.33 1wic n SER 150 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 151 N -2.95 0.97 0.00 -3.46 0.01 -1.26 -5.24 113.70 101.77 1wic s SER 151 Ca 0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1wic s SER 151 Cb 0.00 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1wic s SER 151 CO 0.00 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.90