#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic s SER 2 N 0.00 -0.66 0.50 1.61 0.01 -1.26 -5.13 113.70 108.77 1wic s SER 2 Ca 0.00 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1wic s SER 2 Cb 0.00 0.86 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1wic s SER 2 CO 0.00 -0.05 0.00 -1.20 0.41 0.00 0.00 173.24 172.40 1wic n SER 3 N 3.34 -7.63 0.00 2.44 7.64 -1.26 -5.09 113.62 113.06 1wic n SER 3 Ca 0.10 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1wic n SER 3 Cb 0.62 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1wic n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 4 N -1.81 4.34 3.14 0.23 0.00 -1.26 -5.11 105.19 104.72 1wic n GLY 4 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1wic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 5 N 0.00 -1.26 0.04 1.61 0.01 -1.26 -5.15 113.70 107.69 1wic s SER 5 Ca 0.00 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 1wic s SER 5 Cb 0.00 1.84 -0.05 0.00 0.21 0.00 0.00 66.02 68.01 1wic s SER 5 CO 0.00 -0.24 0.37 -0.55 0.41 0.00 0.00 173.24 173.23 1wic s SER 6 N 2.22 6.64 0.00 2.44 0.15 -1.26 -4.52 113.70 119.37 1wic s SER 6 Ca 0.13 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1wic s SER 6 Cb -0.07 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wic s SER 6 CO -0.15 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1wic n GLY 7 N 1.19 2.43 3.77 9.45 0.00 -1.26 -5.06 105.19 115.71 1wic n GLY 7 Ca -0.10 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 1wic n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wic s LYS 8 N 0.00 4.35 0.11 1.61 -2.85 -1.26 -5.04 119.74 116.66 1wic s LYS 8 Ca 0.00 1.88 -0.02 0.00 -1.00 0.00 0.00 55.97 56.84 1wic s LYS 8 Cb 0.00 -2.95 -0.04 0.00 -2.06 0.00 0.00 37.83 32.78 1wic s LYS 8 CO 0.00 -0.07 0.05 0.15 0.10 0.00 0.00 175.35 175.58 1wic s LYS 9 N -1.88 0.84 0.58 1.78 3.01 -1.26 -5.07 119.74 117.75 1wic s LYS 9 Ca 0.50 -1.34 -0.16 0.00 -1.01 0.00 0.00 55.97 53.97 1wic s LYS 9 Cb -0.33 0.24 -0.04 0.00 -1.01 0.00 0.00 37.83 36.70 1wic s LYS 9 CO 0.42 -0.23 1.05 -1.25 0.51 0.00 0.00 175.35 175.85 1wic s PRO 10 N -4.00 3.41 -0.28 -1.68 0.04 -1.26 -4.97 135.00 126.25 1wic s PRO 10 Ca 0.18 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1wic s PRO 10 Cb 0.07 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wic s PRO 10 CO -0.02 -0.73 1.32 -1.17 0.04 0.00 0.00 177.00 176.44 1wic s LEU 11 N -4.43 3.90 0.25 -3.56 1.98 -1.26 -4.96 118.68 110.60 1wic s LEU 11 Ca 0.63 1.27 -0.31 0.00 -2.89 0.00 0.00 54.13 52.83 1wic s LEU 11 Cb -0.15 -3.54 -0.12 0.00 0.66 0.00 0.00 46.19 43.04 1wic s LEU 11 CO 0.36 -1.07 1.61 -1.20 -1.89 0.00 0.00 176.35 174.16 1wic n SER 12 N 7.62 3.68 -3.86 3.68 7.64 -1.26 -4.99 113.62 126.11 1wic n SER 12 Ca 0.15 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.98 1wic n SER 12 Cb 0.46 -1.55 -0.16 0.00 -1.01 0.00 0.00 64.21 61.96 1wic n SER 12 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wic s VAL 13 N 0.44 0.26 -0.83 0.44 1.01 -1.26 -3.41 120.40 117.05 1wic s VAL 13 Ca 0.69 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 1wic s VAL 13 Cb -0.54 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1wic s VAL 13 CO 0.43 0.13 1.60 0.12 0.00 0.00 0.00 175.10 177.38 1wic s PHE 14 N 0.65 2.12 -0.99 5.22 5.36 0.94 -4.84 117.98 126.43 1wic s PHE 14 Ca -0.07 0.04 -0.25 0.00 -0.96 0.00 0.00 56.93 55.69 1wic s PHE 14 Cb -0.10 -4.41 -0.14 0.00 -0.34 0.00 0.00 43.02 38.03 1wic s PHE 14 CO -0.01 -2.01 2.13 0.15 -1.46 0.00 0.00 175.22 174.02 1wic s LYS 15 N 6.07 1.79 0.58 10.12 3.01 -1.26 -2.13 119.74 137.92 1wic s LYS 15 Ca 0.53 -0.30 -0.16 0.00 -1.01 0.00 0.00 55.97 55.03 1wic s LYS 15 Cb -0.06 -4.99 -0.04 0.00 -1.01 0.00 0.00 37.83 31.72 1wic s LYS 15 CO 0.05 -4.55 1.05 0.20 0.51 0.00 0.00 175.35 172.61 1wic s GLY 16 N 8.68 2.12 0.42 -3.33 0.00 -1.26 -4.95 107.32 109.01 1wic s GLY 16 Ca 0.80 0.36 0.27 0.00 0.00 0.00 0.00 44.72 46.15 1wic s GLY 16 CO 0.11 0.67 1.79 -0.56 0.00 0.00 0.00 173.10 175.11 1wic h PRO 17 N 0.52 0.00 0.00 2.90 0.13 -2.00 -3.41 132.00 130.14 1wic h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wic h PRO 17 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wic h PRO 17 CO 0.58 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 1wic n LEU 18 N -2.86 0.05 -4.47 1.56 4.77 -1.26 -4.74 117.00 110.06 1wic n LEU 18 Ca 0.03 0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 1wic n LEU 18 Cb 0.39 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 1wic n LEU 18 CO 0.29 -0.52 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.25 1wic s LEU 19 N -5.14 3.18 -0.23 2.23 1.98 -1.26 -2.62 118.68 116.82 1wic s LEU 19 Ca 0.00 -0.17 -0.26 0.00 -2.89 0.00 0.00 54.13 50.81 1wic s LEU 19 Cb 0.00 -1.77 -0.00 0.00 0.66 0.00 0.00 46.19 45.08 1wic s LEU 19 CO 0.00 0.15 0.91 -1.00 -1.89 0.00 0.00 176.35 174.52 1wic s HIS 20 N 0.49 3.33 -0.06 5.38 3.76 0.17 -3.98 115.29 124.39 1wic s HIS 20 Ca -0.04 1.28 -0.14 0.00 -0.15 0.00 0.00 55.06 56.01 1wic s HIS 20 Cb -0.14 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.36 1wic s HIS 20 CO 0.03 -0.42 0.38 0.42 -0.85 0.00 0.00 174.74 174.30 1wic s ILE 21 N 2.91 5.15 -0.09 0.60 -1.09 -0.91 -0.37 121.20 127.40 1wic s ILE 21 Ca 0.39 0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 1wic s ILE 21 Cb -0.15 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1wic s ILE 21 CO 0.07 0.51 0.20 -0.55 -1.23 0.00 0.00 174.94 173.94 1wic s SER 22 N -0.50 -0.13 0.17 3.58 0.15 -0.21 -0.04 113.70 116.71 1wic s SER 22 Ca 0.22 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1wic s SER 22 Cb -0.15 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wic s SER 22 CO 0.10 -0.16 0.00 -0.81 1.20 0.00 0.00 173.24 173.57 1wic n PRO 23 N 4.31 0.75 0.00 5.44 -0.04 -1.26 -0.01 135.00 144.19 1wic n PRO 23 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1wic n PRO 23 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.00 0.00 -2.84 0.55 0.00 -1.22 -4.43 120.51 109.57 1wic n ALA 24 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1wic n ALA 24 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 4.90 -3.57 0.00 0.28 -1.26 -4.58 120.64 116.40 1wic n GLU 25 Ca 0.00 -4.62 -0.14 0.00 -0.16 0.00 0.00 57.16 52.24 1wic n GLU 25 Cb 0.00 -2.48 -0.06 0.00 1.43 0.00 0.00 31.44 30.33 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 -3.54 0.79 -0.13 3.44 4.04 -1.09 -4.52 118.70 117.69 1wic s GLU 26 Ca 0.35 0.39 -0.05 0.00 0.04 0.00 0.00 54.97 55.70 1wic s GLU 26 Cb 0.12 0.38 0.06 0.00 0.02 0.00 0.00 34.13 34.71 1wic s GLU 26 CO -0.01 -0.21 0.28 -1.17 -1.84 0.00 0.00 175.26 172.32 1wic s LEU 27 N -0.69 -0.16 -0.32 1.83 2.96 0.56 -4.52 118.68 118.35 1wic s LEU 27 Ca -0.04 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1wic s LEU 27 Cb -0.02 0.82 0.09 0.00 0.50 0.00 0.00 46.19 47.58 1wic s LEU 27 CO 0.03 -0.22 0.02 -0.31 -1.32 0.00 0.00 176.35 174.55 1wic s TYR 28 N 2.10 3.43 -0.87 5.38 2.02 -1.26 -2.07 117.35 126.07 1wic s TYR 28 Ca -0.02 -2.70 -0.21 0.00 -0.37 0.00 0.00 57.07 53.76 1wic s TYR 28 Cb -0.11 -2.56 0.09 0.00 -0.40 0.00 0.00 41.96 38.98 1wic s TYR 28 CO -0.09 -0.92 1.17 -0.06 -1.57 0.00 0.00 175.55 174.08 1wic s PHE 29 N 1.02 2.82 0.41 2.71 0.40 -1.26 -4.29 117.98 119.79 1wic s PHE 29 Ca 0.06 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1wic s PHE 29 Cb -0.19 -4.40 -0.03 0.00 0.51 0.00 0.00 43.02 38.91 1wic s PHE 29 CO -0.09 -1.67 0.10 0.20 0.70 0.00 0.00 175.22 174.46 1wic s GLY 30 N 3.96 2.56 -0.24 4.36 0.00 -1.23 -4.07 107.32 112.67 1wic s GLY 30 Ca 0.33 -1.30 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 1wic s GLY 30 CO -0.03 -1.88 0.16 -0.56 0.00 0.00 0.00 173.10 170.78 1wic s SER 31 N -3.62 6.04 0.01 1.64 0.01 -1.23 -1.46 113.70 115.09 1wic s SER 31 Ca 0.24 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.46 1wic s SER 31 Cb 0.04 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 64.11 1wic s SER 31 CO 0.13 0.05 1.01 0.40 0.41 0.00 0.00 173.24 175.25 1wic h ILE 32 N 5.08 0.00 0.00 1.44 2.04 -1.88 -3.47 117.51 120.72 1wic h ILE 32 Ca -0.38 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1wic h ILE 32 Cb 1.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1wic h ILE 32 CO 0.64 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 178.17 1wic n GLU 33 N -3.33 0.00 -0.07 2.37 1.02 -1.26 -4.92 120.64 114.45 1wic n GLU 33 Ca -0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 1wic n GLU 33 Cb 0.17 -0.03 0.11 0.00 -0.02 0.00 0.00 31.44 31.68 1wic n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wic n SER 34 N -3.09 2.34 -0.15 1.62 2.88 -1.26 -5.00 113.62 110.96 1wic n SER 34 Ca 0.00 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1wic n SER 34 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 35 N -1.15 1.58 3.72 0.46 0.00 -1.26 -5.15 105.19 103.39 1wic n GLY 35 Ca 0.12 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 3.29 2.06 -0.85 1.61 2.02 -1.26 -4.82 118.70 120.76 1wic s GLU 36 Ca 0.00 -1.45 -0.21 0.00 0.02 0.00 0.00 54.97 53.33 1wic s GLU 36 Cb 0.00 0.57 -0.21 0.00 0.10 0.00 0.00 34.13 34.59 1wic s GLU 36 CO 0.00 -0.93 2.36 1.63 0.02 0.00 0.00 175.26 178.34 1wic n LYS 37 N -0.52 0.36 -3.75 1.61 5.02 -1.23 -3.56 118.16 116.10 1wic n LYS 37 Ca -0.05 -0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 55.77 1wic n LYS 37 Cb 0.60 -2.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.06 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 8.19 0.49 0.32 1.97 2.20 -0.54 -4.44 119.74 127.92 1wic s LYS 38 Ca 1.13 0.35 0.08 0.00 -0.36 0.00 0.00 55.97 57.17 1wic s LYS 38 Cb -0.53 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 1wic s LYS 38 CO 0.33 -0.08 0.15 -0.08 -0.36 0.00 0.00 175.35 175.31 1wic s THR 39 N -0.16 3.31 -0.12 3.43 -1.32 -0.85 -3.48 115.64 116.46 1wic s THR 39 Ca -0.03 -1.64 -0.01 0.00 -1.21 0.00 0.00 61.69 58.79 1wic s THR 39 Cb -0.03 -3.03 0.03 0.00 -1.51 0.00 0.00 72.50 67.96 1wic s THR 39 CO 0.01 -0.23 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.96 1wic s LEU 40 N -3.85 1.00 -0.11 9.08 2.96 -1.26 -0.69 118.68 125.82 1wic s LEU 40 Ca 0.37 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 1wic s LEU 40 Cb -0.04 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1wic s LEU 40 CO 0.23 -0.19 0.45 -0.63 -1.32 0.00 0.00 176.35 174.89 1wic s ILE 41 N 1.83 5.19 -0.14 6.68 1.01 0.27 -4.62 121.20 131.41 1wic s ILE 41 Ca 0.03 0.89 -0.05 0.00 0.00 0.00 0.00 60.65 61.53 1wic s ILE 41 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1wic s ILE 41 CO -0.07 0.36 0.02 -0.69 0.00 0.00 0.00 174.94 174.56 1wic s VAL 42 N 0.45 4.41 -0.37 2.92 1.01 0.99 0.22 120.40 130.03 1wic s VAL 42 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1wic s VAL 42 Cb -0.15 -2.93 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1wic s VAL 42 CO 0.10 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 175.07 1wic s LEU 43 N -0.04 4.90 -0.47 3.92 1.43 -1.10 -1.04 118.68 126.29 1wic s LEU 43 Ca 0.04 -2.00 -0.21 0.00 -1.03 0.00 0.00 54.13 50.93 1wic s LEU 43 Cb -0.13 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1wic s LEU 43 CO 0.02 -0.45 0.69 -0.89 0.23 0.00 0.00 176.35 175.95 1wic s THR 44 N 1.06 4.76 -0.56 5.49 2.01 0.50 -2.06 115.64 126.84 1wic s THR 44 Ca 0.08 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1wic s THR 44 Cb -0.21 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.04 1wic s THR 44 CO -0.05 -0.72 1.27 0.21 -0.69 0.00 0.00 174.62 174.64 1wic s ASN 45 N 2.26 6.34 -0.05 3.53 3.84 -0.50 0.45 114.94 130.81 1wic s ASN 45 Ca 0.23 0.21 -0.09 0.00 0.21 0.00 0.00 52.86 53.41 1wic s ASN 45 Cb -0.15 -2.55 -0.30 0.00 -0.55 0.00 0.00 41.25 37.70 1wic s ASN 45 CO 0.18 -1.55 0.67 -0.37 -2.79 0.00 0.00 177.10 173.24 1wic h VAL 46 N 6.24 0.93 -3.28 -5.21 -1.51 -1.82 0.10 116.25 111.71 1wic h VAL 46 Ca -0.26 -2.54 -0.55 0.00 -1.23 0.00 0.00 66.70 62.12 1wic h VAL 46 Cb 1.07 2.74 0.19 0.00 -2.13 0.00 0.00 31.29 33.16 1wic h VAL 46 CO 1.18 0.85 -0.41 0.35 -1.23 0.00 0.00 177.57 178.31 1wic n THR 47 N -3.56 1.47 -0.55 7.19 -2.24 -1.20 -4.63 114.28 110.76 1wic n THR 47 Ca -0.24 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 1wic n THR 47 Cb 1.07 -0.73 0.13 0.00 -2.10 0.00 0.00 70.33 68.70 1wic n THR 47 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wic n LYS 48 N -0.98 1.92 -3.72 -0.78 3.00 -1.26 -4.04 118.16 112.30 1wic n LYS 48 Ca 0.09 -2.10 -0.12 0.00 -0.00 0.00 0.00 58.31 56.18 1wic n LYS 48 Cb 0.51 -1.83 -0.10 0.00 0.00 0.00 0.00 35.03 33.61 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 -0.60 -0.48 0.42 3.14 0.01 -1.26 -4.97 114.94 111.20 1wic s ASN 49 Ca 0.40 0.89 -0.19 0.00 -0.71 0.00 0.00 52.86 53.25 1wic s ASN 49 Cb 0.33 0.86 -0.14 0.00 0.41 0.00 0.00 41.25 42.71 1wic s ASN 49 CO 0.08 -0.16 -0.01 -0.38 -1.51 0.00 0.00 177.10 175.11 1wic n ILE 50 N 3.27 0.31 -3.75 0.60 5.41 -1.26 -4.52 119.36 119.42 1wic n ILE 50 Ca -0.16 -0.47 -0.19 0.00 1.00 0.00 0.00 62.75 62.92 1wic n ILE 50 Cb 0.57 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.32 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 -1.73 0.04 -0.00 1.39 1.01 -1.14 0.04 120.40 120.01 1wic s VAL 51 Ca 0.55 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.56 1wic s VAL 51 Cb -0.54 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1wic s VAL 51 CO 0.61 0.18 0.79 0.00 0.00 0.00 0.00 175.10 176.67 1wic s ALA 52 N 1.78 3.31 0.04 5.51 0.00 -0.25 -0.63 121.76 131.52 1wic s ALA 52 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1wic s ALA 52 Cb -0.12 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1wic s ALA 52 CO -0.03 -0.06 -0.21 -0.59 0.00 0.00 0.00 175.76 174.87 1wic s PHE 53 N 0.48 1.84 -0.05 0.00 -0.12 0.24 -0.59 117.98 119.78 1wic s PHE 53 Ca 0.41 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1wic s PHE 53 Cb -0.20 -1.10 0.03 0.00 -0.63 0.00 0.00 43.02 41.12 1wic s PHE 53 CO 0.22 0.09 0.01 0.15 -0.05 0.00 0.00 175.22 175.64 1wic s LYS 54 N -1.14 0.32 -0.24 1.99 1.02 -0.71 -2.75 119.74 118.23 1wic s LYS 54 Ca 0.08 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 1wic s LYS 54 Cb -0.09 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1wic s LYS 54 CO 0.02 -0.23 0.38 0.08 -0.92 0.00 0.00 175.35 174.68 1wic s VAL 55 N 1.60 5.18 0.00 3.17 1.01 -1.26 0.20 120.40 130.31 1wic s VAL 55 Ca -0.01 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1wic s VAL 55 Cb -0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1wic s VAL 55 CO -0.03 0.19 -0.18 -0.60 0.00 0.00 0.00 175.10 174.48 1wic s ARG 56 N 1.79 1.34 0.26 2.72 3.00 0.21 -4.88 118.95 123.39 1wic s ARG 56 Ca 0.17 -0.69 0.01 0.00 -1.00 0.00 0.00 55.73 54.21 1wic s ARG 56 Cb -0.15 -1.33 -0.05 0.00 0.00 0.00 0.00 34.95 33.42 1wic s ARG 56 CO 0.09 0.36 0.11 -0.08 0.00 0.00 0.00 175.30 175.78 1wic s THR 57 N -0.53 0.43 -0.63 4.11 -1.32 -1.26 0.21 115.64 116.65 1wic s THR 57 Ca 0.06 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.59 1wic s THR 57 Cb -0.07 -2.59 0.33 0.00 -1.51 0.00 0.00 72.50 68.66 1wic s THR 57 CO 0.00 0.00 1.06 0.35 -2.21 0.00 0.00 174.62 173.82 1wic n THR 58 N -0.46 1.24 -2.73 5.08 -2.24 -1.11 -4.26 114.28 109.80 1wic n THR 58 Ca 0.00 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 1wic n THR 58 Cb 0.66 -0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.21 -2.24 1.41 6.98 0.00 -1.26 -4.98 120.51 120.63 1wic n ALA 59 Ca 0.13 -0.89 0.12 0.00 0.00 0.00 0.00 53.44 52.80 1wic n ALA 59 Cb 0.69 -1.94 0.68 0.00 0.00 0.00 0.00 19.45 18.88 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 2.27 0.66 -0.04 0.00 -0.04 -1.26 -1.46 135.00 135.12 1wic n PRO 60 Ca 0.12 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1wic n PRO 60 Cb 0.62 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.06 2.67 0.00 0.54 0.28 -1.26 -4.71 120.64 117.10 1wic n GLU 61 Ca 0.16 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.38 1wic n GLU 61 Cb 0.10 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 -0.57 0.00 -3.60 3.44 5.02 -0.89 -4.90 118.16 116.66 1wic n LYS 62 Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 1wic n LYS 62 Cb 0.36 -0.38 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.00 3.20 -0.56 2.13 2.02 -0.54 0.20 117.35 121.81 1wic s TYR 63 Ca 0.00 -0.45 -0.28 0.00 -0.37 0.00 0.00 57.07 55.97 1wic s TYR 63 Cb 0.00 -2.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1wic s TYR 63 CO 0.00 -0.43 1.13 0.50 -1.57 0.00 0.00 175.55 175.18 1wic s ARG 64 N 1.65 3.51 -0.16 -0.62 3.52 0.42 -4.69 118.95 122.59 1wic s ARG 64 Ca 0.05 0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.80 1wic s ARG 64 Cb -0.17 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 1wic s ARG 64 CO 0.08 -1.59 0.05 0.08 -0.81 0.00 0.00 175.30 173.11 1wic s VAL 65 N 4.67 4.67 -0.28 7.11 1.01 -1.26 -2.38 120.40 133.94 1wic s VAL 65 Ca 0.41 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 1wic s VAL 65 Cb -0.08 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.32 1wic s VAL 65 CO 0.25 0.50 0.81 -0.75 0.00 0.00 0.00 175.10 175.91 1wic s LYS 66 N 0.04 0.65 0.13 2.72 2.36 -0.83 -3.47 119.74 121.34 1wic s LYS 66 Ca 0.05 0.96 -0.30 0.00 -2.55 0.00 0.00 55.97 54.12 1wic s LYS 66 Cb -0.12 0.22 -0.07 0.00 -1.05 0.00 0.00 37.83 36.81 1wic s LYS 66 CO 0.01 -0.11 1.14 -1.25 1.55 0.00 0.00 175.35 176.69 1wic s PRO 67 N 0.99 4.53 -0.55 4.03 0.04 -1.25 0.17 135.00 142.96 1wic s PRO 67 Ca -0.05 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wic s PRO 67 Cb -0.05 -3.30 0.42 0.00 0.04 0.00 0.00 34.50 31.61 1wic s PRO 67 CO -0.11 -0.05 1.55 -1.13 0.04 0.00 0.00 177.00 177.30 1wic n SER 68 N 2.93 6.08 0.00 6.66 3.41 -1.23 -4.75 113.62 126.72 1wic n SER 68 Ca 0.05 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1wic n SER 68 Cb 0.46 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1wic n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wic n ASN 69 N -0.64 0.00 -2.93 4.04 2.85 -1.26 -4.53 115.26 112.79 1wic n ASN 69 Ca 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 1wic n ASN 69 Cb 0.63 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.66 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wic n SER 70 N 0.00 -1.06 -4.37 1.20 2.88 -1.11 -5.08 113.62 106.08 1wic n SER 70 Ca 0.00 -1.39 -0.21 0.00 -1.33 0.00 0.00 58.87 55.94 1wic n SER 70 Cb 0.00 1.68 -0.10 0.00 -0.75 0.00 0.00 64.21 65.04 1wic n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wic s SER 71 N -2.98 2.85 -0.22 -3.46 1.04 -1.26 -0.59 113.70 109.07 1wic s SER 71 Ca 0.20 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1wic s SER 71 Cb -0.01 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.96 1wic s SER 71 CO 0.01 -0.07 -0.13 0.00 0.98 0.00 0.00 173.24 174.03 1wic n ASP 73 N 4.60 -1.98 -4.75 0.00 8.00 -1.26 -2.86 116.55 118.30 1wic n ASP 73 Ca -0.18 0.24 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 1wic n ASP 73 Cb 0.47 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 40.35 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 -3.69 4.64 -0.87 -0.24 0.04 -1.26 -3.26 135.00 130.37 1wic s PRO 74 Ca 0.58 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1wic s PRO 74 Cb -0.20 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1wic s PRO 74 CO 0.67 0.19 0.18 0.41 0.04 0.00 0.00 177.00 178.48 1wic n GLY 75 N 1.47 -0.01 3.05 0.56 0.00 0.35 -5.00 105.19 105.62 1wic n GLY 75 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic n ALA 76 N -2.18 0.66 -3.41 4.61 0.00 -1.20 -4.99 120.51 113.99 1wic n ALA 76 Ca -0.09 -1.86 -0.13 0.00 0.00 0.00 0.00 53.44 51.36 1wic n ALA 76 Cb 0.58 1.46 -0.14 0.00 0.00 0.00 0.00 19.45 21.35 1wic n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wic s SER 77 N -3.23 -0.12 0.42 0.00 1.04 -1.26 -1.41 113.70 109.14 1wic s SER 77 Ca 0.35 0.28 0.08 0.00 0.48 0.00 0.00 55.95 57.14 1wic s SER 77 Cb 0.02 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1wic s SER 77 CO 0.25 -0.10 0.44 -0.51 0.98 0.00 0.00 173.24 174.29 1wic s ILE 78 N 0.68 2.77 -0.14 -1.02 2.07 -0.87 -4.91 121.20 119.79 1wic s ILE 78 Ca -0.05 -1.24 -0.00 0.00 -1.41 0.00 0.00 60.65 57.95 1wic s ILE 78 Cb -0.07 -3.00 0.03 0.00 0.13 0.00 0.00 42.46 39.55 1wic s ILE 78 CO -0.03 -0.00 -0.08 1.51 -1.91 0.00 0.00 174.94 174.43 1wic s ASP 79 N -4.20 2.46 -0.29 4.50 1.47 -1.26 -2.71 116.67 116.65 1wic s ASP 79 Ca 0.50 -0.45 -0.02 0.00 1.18 0.00 0.00 52.55 53.76 1wic s ASP 79 Cb -0.05 -0.91 0.04 0.00 -0.34 0.00 0.00 42.92 41.66 1wic s ASP 79 CO 0.29 -0.13 -0.01 -0.63 0.68 0.00 0.00 175.17 175.37 1wic s ILE 80 N 1.66 3.00 0.34 2.11 -1.09 0.13 -3.85 121.20 123.50 1wic s ILE 80 Ca 0.04 -1.26 -0.21 0.00 -2.23 0.00 0.00 60.65 56.98 1wic s ILE 80 Cb -0.13 -2.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.98 1wic s ILE 80 CO -0.08 -0.02 0.87 -0.63 -1.23 0.00 0.00 174.94 173.84 1wic s ILE 81 N 1.28 4.42 -0.30 2.92 1.09 0.13 0.95 121.20 131.69 1wic s ILE 81 Ca -0.04 1.45 -0.03 0.00 -1.10 0.00 0.00 60.65 60.94 1wic s ILE 81 Cb -0.19 -3.78 0.11 0.00 -1.06 0.00 0.00 42.46 37.54 1wic s ILE 81 CO -0.02 -0.05 0.16 -0.69 -0.10 0.00 0.00 174.94 174.24 1wic s VAL 82 N -1.85 -0.07 0.03 2.92 1.01 0.14 -1.97 120.40 120.61 1wic s VAL 82 Ca 0.53 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1wic s VAL 82 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1wic s VAL 82 CO 0.19 -0.74 -0.20 -0.55 0.00 0.00 0.00 175.10 173.80 1wic s SER 83 N 1.98 2.38 0.94 3.32 0.15 -1.00 -2.00 113.70 119.45 1wic s SER 83 Ca 0.10 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.15 1wic s SER 83 Cb -0.17 -0.21 0.16 0.00 -1.71 0.00 0.00 66.02 64.09 1wic s SER 83 CO -0.31 0.17 1.15 -2.16 1.20 0.00 0.00 173.24 173.30 1wic s PRO 84 N -0.98 0.90 0.63 5.44 0.04 -1.26 0.16 135.00 139.92 1wic s PRO 84 Ca 0.07 0.19 0.26 0.00 0.04 0.00 0.00 61.00 61.56 1wic s PRO 84 Cb -0.08 -1.82 1.29 0.00 0.04 0.00 0.00 34.50 33.93 1wic s PRO 84 CO 0.01 -2.34 1.73 0.45 0.04 0.00 0.00 177.00 176.89 1wic h HIS 85 N -1.60 0.00 0.00 0.56 3.86 0.19 -3.43 115.15 114.73 1wic h HIS 85 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1wic h HIS 85 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1wic h HIS 85 CO -0.05 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.15 1wic n GLY 86 N -1.43 2.00 0.05 2.45 0.00 -1.26 -4.90 105.19 102.09 1wic n GLY 86 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1wic n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wic h GLY 87 N 0.00 -1.94 -0.20 -0.02 0.00 -2.00 -3.41 103.07 95.50 1wic h GLY 87 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 47.33 48.14 1wic h GLY 87 CO 0.00 -0.71 -0.03 1.47 0.00 0.00 0.00 176.54 177.27 1wic n LEU 88 N -3.02 0.00 -4.00 3.11 -0.00 -1.26 -5.06 117.00 106.77 1wic n LEU 88 Ca -0.00 -0.13 -0.12 0.00 -0.00 0.00 0.00 56.01 55.76 1wic n LEU 88 Cb 0.03 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.24 1wic n LEU 88 CO -0.00 -1.63 0.23 0.28 -0.00 0.00 0.00 177.39 176.27 1wic s THR 89 N -1.01 0.00 0.05 1.47 -1.32 -1.26 -4.83 115.64 108.74 1wic s THR 89 Ca 0.10 -1.41 -0.25 0.00 -1.21 0.00 0.00 61.69 58.93 1wic s THR 89 Cb -0.02 -2.53 -0.06 0.00 -1.51 0.00 0.00 72.50 68.38 1wic s THR 89 CO 0.09 0.00 0.75 0.68 -2.21 0.00 0.00 174.62 173.93 1wic s VAL 90 N -3.25 4.72 0.00 5.08 -7.23 -1.26 -5.06 120.40 113.40 1wic s VAL 90 Ca 0.25 1.61 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 1wic s VAL 90 Cb -0.01 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.82 1wic s VAL 90 CO 0.15 0.38 0.00 -1.20 -0.31 0.00 0.00 175.10 174.12 1wic n SER 91 N 2.70 0.24 -0.01 4.85 7.64 -1.26 -4.91 113.62 122.88 1wic n SER 91 Ca -0.03 -0.90 0.13 0.00 1.01 0.00 0.00 58.87 59.08 1wic n SER 91 Cb 0.50 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.12 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wic n ALA 92 N -3.00 3.01 0.01 -0.43 0.00 -1.26 -3.40 120.51 115.44 1wic n ALA 92 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.19 1wic n ALA 92 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 1wic n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wic n GLN 93 N -1.46 0.63 -1.72 0.00 10.64 -1.26 -4.90 117.38 119.32 1wic n GLN 93 Ca 0.07 0.15 -0.42 0.00 -1.83 0.00 0.00 57.00 54.96 1wic n GLN 93 Cb 0.33 -1.74 -0.03 0.00 -0.86 0.00 0.00 30.24 27.95 1wic n GLN 93 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1wic s ASP 94 N -5.61 6.39 0.01 2.61 2.15 -1.22 -4.99 116.67 116.02 1wic s ASP 94 Ca -0.04 2.84 0.03 0.00 0.43 0.00 0.00 52.55 55.81 1wic s ASP 94 Cb 0.09 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1wic s ASP 94 CO 0.82 -0.99 -0.10 -0.60 -0.17 0.00 0.00 175.17 174.14 1wic s ARG 95 N 1.72 0.71 0.18 4.34 6.06 -1.26 -4.58 118.95 126.12 1wic s ARG 95 Ca 0.77 -0.47 0.09 0.00 -2.50 0.00 0.00 55.73 53.63 1wic s ARG 95 Cb -0.49 -0.66 -0.04 0.00 0.06 0.00 0.00 34.95 33.82 1wic s ARG 95 CO 0.34 0.17 -0.12 -0.06 -2.50 0.00 0.00 175.30 173.12 1wic s PHE 96 N -0.52 2.57 0.02 5.12 0.08 -0.87 -2.74 117.98 121.64 1wic s PHE 96 Ca 0.01 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.82 1wic s PHE 96 Cb -0.05 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1wic s PHE 96 CO 0.00 0.51 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.41 1wic s LEU 97 N -2.79 2.16 -0.06 -0.37 2.96 0.56 0.11 118.68 121.25 1wic s LEU 97 Ca 0.24 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1wic s LEU 97 Cb -0.09 -0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.55 1wic s LEU 97 CO 0.14 -0.14 0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 1wic s ILE 98 N -0.93 0.25 0.29 6.68 1.01 0.36 0.63 121.20 129.48 1wic s ILE 98 Ca -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1wic s ILE 98 Cb -0.07 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1wic s ILE 98 CO -0.00 0.23 0.52 -0.04 0.00 0.00 0.00 174.94 175.65 1wic s MET 99 N 1.93 3.56 -0.30 2.79 -1.94 0.54 0.20 119.30 126.08 1wic s MET 99 Ca 0.04 -0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 53.74 1wic s MET 99 Cb -0.12 -2.69 0.13 0.00 2.01 0.00 0.00 34.83 34.16 1wic s MET 99 CO -0.04 0.23 0.70 0.00 -0.01 0.00 0.00 175.02 175.90 1wic s ALA 100 N -2.11 -2.12 -0.05 3.03 0.00 0.30 -1.73 121.76 119.08 1wic s ALA 100 Ca 0.42 2.32 0.01 0.00 0.00 0.00 0.00 51.96 54.71 1wic s ALA 100 Cb -0.10 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.25 1wic s ALA 100 CO 0.32 -0.88 -0.06 0.00 0.00 0.00 0.00 175.76 175.14 1wic s ALA 101 N 2.71 0.77 -0.09 0.00 0.00 0.24 0.20 121.76 125.59 1wic s ALA 101 Ca -0.06 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1wic s ALA 101 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1wic s ALA 101 CO -0.19 0.03 1.49 -2.00 0.00 0.00 0.00 175.76 175.09 1wic s GLU 102 N 0.80 4.21 0.73 0.00 2.12 -1.26 -1.09 118.70 124.21 1wic s GLU 102 Ca -0.12 1.97 -0.07 0.00 0.36 0.00 0.00 54.97 57.12 1wic s GLU 102 Cb -0.14 -3.87 0.08 0.00 0.26 0.00 0.00 34.13 30.46 1wic s GLU 102 CO 0.01 -0.77 1.04 -1.64 -0.54 0.00 0.00 175.26 173.36 1wic s MET 103 N 3.71 1.97 0.00 4.30 -1.94 0.11 -4.95 119.30 122.50 1wic s MET 103 Ca 0.66 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1wic s MET 103 Cb -0.29 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.40 1wic s MET 103 CO 0.24 -1.39 0.00 0.39 -0.01 0.00 0.00 175.02 174.25 1wic n GLU 104 N -3.00 0.01 0.00 2.03 -0.58 -1.26 -4.55 120.64 113.29 1wic n GLU 104 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1wic n GLU 104 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1wic n GLN 105 N -0.99 0.00 -2.43 3.49 1.13 -1.26 -4.45 117.38 112.87 1wic n GLN 105 Ca 0.00 0.11 -0.43 0.00 -1.94 0.00 0.00 57.00 54.74 1wic n GLN 105 Cb 0.00 -0.78 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wic s SER 106 N -2.38 6.98 -0.09 1.08 0.01 -1.26 -4.76 113.70 113.28 1wic s SER 106 Ca 0.00 1.74 0.04 0.00 1.31 0.00 0.00 55.95 59.03 1wic s SER 106 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wic s SER 106 CO 0.00 -0.70 -0.20 -0.44 0.41 0.00 0.00 173.24 172.31 1wic s SER 107 N 1.80 2.66 0.13 2.44 0.01 -1.26 -5.01 113.70 114.47 1wic s SER 107 Ca 0.55 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 57.41 1wic s SER 107 Cb -0.23 -1.20 -0.19 0.00 0.21 0.00 0.00 66.02 64.61 1wic s SER 107 CO 0.17 0.12 1.29 1.23 0.41 0.00 0.00 173.24 176.47 1wic h GLY 108 N 6.76 0.00 -6.28 3.44 0.00 -1.96 -3.48 103.07 101.55 1wic h GLY 108 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.78 1wic h GLY 108 CO 0.47 0.00 -0.74 -1.30 0.00 0.00 0.00 176.54 174.97 1wic n THR 109 N -3.35 -5.69 -2.85 4.70 -2.24 -1.26 -4.99 114.28 98.61 1wic n THR 109 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wic n THR 109 Cb 0.93 -4.32 0.00 0.00 -2.10 0.00 0.00 70.33 64.84 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 -1.61 5.15 0.07 3.38 0.00 -1.26 -4.98 105.19 105.94 1wic n GLY 110 Ca -0.20 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.02 0.20 1.61 0.13 -1.98 -2.98 132.00 128.95 1wic h PRO 111 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1wic h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wic h PRO 111 CO 0.00 0.70 -0.09 0.00 -0.23 0.00 0.00 178.00 178.38 1wic h ALA 112 N 0.18 -0.40 -0.72 -0.56 0.00 -1.97 -2.47 119.26 113.32 1wic h ALA 112 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1wic h ALA 112 Cb 0.72 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1wic h ALA 112 CO 0.00 -0.38 -0.29 0.39 0.00 0.00 0.00 179.25 178.97 1wic n GLU 113 N -3.82 -0.18 0.20 0.00 4.71 -1.26 0.18 120.64 120.47 1wic n GLU 113 Ca -0.03 1.11 -0.10 0.00 -0.01 0.00 0.00 57.16 58.13 1wic n GLU 113 Cb 0.10 -1.65 -0.05 0.00 -1.01 0.00 0.00 31.44 28.84 1wic n GLU 113 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wic h LEU 114 N 0.00 -0.69 -1.84 -4.62 3.38 -1.62 1.19 115.31 111.10 1wic h LEU 114 Ca 0.24 0.05 0.34 0.00 0.09 0.00 0.00 57.88 58.60 1wic h LEU 114 Cb 0.42 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1wic h LEU 114 CO -0.71 -0.38 0.84 -1.28 0.09 0.00 0.00 178.44 176.99 1wic h SER 115 N -0.59 0.10 0.88 -0.43 0.87 0.05 1.91 113.55 116.33 1wic h SER 115 Ca -0.05 0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.32 1wic h SER 115 Cb 0.49 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1wic h SER 115 CO 0.02 0.01 -1.02 1.56 -0.53 0.00 0.00 176.83 176.86 1wic h GLN 116 N 0.08 0.07 0.00 2.24 4.20 0.29 -0.97 115.11 121.03 1wic h GLN 116 Ca 0.60 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 59.15 1wic h GLN 116 Cb 2.18 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.99 1wic h GLN 116 CO -0.09 1.02 -0.69 0.35 -0.67 0.00 0.00 178.83 178.76 1wic h PHE 117 N 0.02 0.00 0.00 2.96 3.57 1.13 -1.77 116.94 122.86 1wic h PHE 117 Ca -0.04 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1wic h PHE 117 Cb 1.76 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 1wic h PHE 117 CO 0.02 0.18 -1.17 -1.49 -2.23 0.00 0.00 178.31 173.61 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.22 -1.52 115.95 119.12 1wic h TRP 118 Ca -0.03 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.71 1wic h TRP 118 Cb 1.16 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 1wic h TRP 118 CO 0.00 0.34 -1.33 1.57 -3.56 0.00 0.00 178.44 175.46 1wic h LYS 119 N 0.00 0.00 0.18 0.49 5.09 -1.20 -3.35 116.57 117.77 1wic h LYS 119 Ca -0.09 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.30 1wic h LYS 119 Cb 1.34 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.67 1wic h LYS 119 CO 0.03 0.52 -1.79 0.93 -2.09 0.00 0.00 179.45 177.05 1wic h GLU 120 N 0.00 0.38 -6.47 0.07 5.08 -1.41 -3.45 114.58 108.78 1wic h GLU 120 Ca -0.16 -0.64 -0.54 0.00 -1.00 0.00 0.00 59.36 57.02 1wic h GLU 120 Cb 1.75 0.24 0.01 0.00 0.50 0.00 0.00 28.75 31.25 1wic h GLU 120 CO 0.08 1.30 0.81 0.54 -1.00 0.00 0.00 179.01 180.74 1wic s VAL 121 N -2.58 3.42 0.97 3.13 0.11 -0.57 -5.00 120.40 119.87 1wic s VAL 121 Ca -0.17 0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 59.67 1wic s VAL 121 Cb 0.06 -3.60 0.17 0.00 -1.53 0.00 0.00 36.38 31.48 1wic s VAL 121 CO 0.84 0.03 1.16 -2.16 -3.33 0.00 0.00 175.10 171.65 1wic s PRO 122 N 1.83 0.68 0.49 1.54 0.04 -1.26 -4.82 135.00 133.50 1wic s PRO 122 Ca 0.66 0.11 0.29 0.00 0.04 0.00 0.00 61.00 62.09 1wic s PRO 122 Cb -0.35 -1.80 0.95 0.00 0.04 0.00 0.00 34.50 33.34 1wic s PRO 122 CO 0.29 -2.47 1.83 0.07 0.04 0.00 0.00 177.00 176.76 1wic h ARG 123 N -1.69 0.00 0.00 4.56 -0.00 -1.94 -0.12 114.38 115.19 1wic h ARG 123 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1wic h ARG 123 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.28 1wic h ARG 123 CO 0.53 0.05 -0.01 -0.97 -0.00 0.00 0.00 179.97 179.58 1wic h ASN 124 N 0.00 0.00 0.00 0.08 -0.73 -2.02 -2.99 115.58 109.92 1wic h ASN 124 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1wic h ASN 124 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1wic h ASN 124 CO 0.01 0.01 -1.45 0.29 -0.37 0.00 0.00 177.43 175.91 1wic n LYS 125 N -3.10 0.83 -2.50 6.67 4.76 -0.93 -4.86 118.16 119.03 1wic n LYS 125 Ca 0.03 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 1wic n LYS 125 Cb 0.45 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 1wic n LYS 125 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wic s VAL 126 N -3.00 3.88 -0.74 -0.18 1.01 -0.10 -4.48 120.40 116.79 1wic s VAL 126 Ca -0.02 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 1wic s VAL 126 Cb 0.12 -4.63 0.03 0.00 0.00 0.00 0.00 36.38 31.90 1wic s VAL 126 CO 0.72 -1.34 1.25 -0.32 0.00 0.00 0.00 175.10 175.41 1wic s MET 127 N 5.31 3.19 -0.12 2.72 1.75 0.52 -4.82 119.30 127.84 1wic s MET 127 Ca 0.46 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.48 1wic s MET 127 Cb -0.09 -4.20 -0.05 0.00 2.84 0.00 0.00 34.83 33.33 1wic s MET 127 CO 0.24 -2.12 0.22 -1.21 -0.65 0.00 0.00 175.02 171.50 1wic s GLU 128 N 5.56 3.86 -0.17 4.11 2.02 -1.25 0.11 118.70 132.93 1wic s GLU 128 Ca 0.34 -0.00 -0.00 0.00 0.02 0.00 0.00 54.97 55.32 1wic s GLU 128 Cb -0.09 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.89 1wic s GLU 128 CO 0.14 0.55 -0.06 -1.58 0.02 0.00 0.00 175.26 174.33 1wic s HIS 129 N -0.42 1.79 -0.23 1.61 2.46 0.52 -4.90 115.29 116.12 1wic s HIS 129 Ca 0.15 -1.16 -0.20 0.00 0.47 0.00 0.00 55.06 54.33 1wic s HIS 129 Cb -0.13 -1.36 -0.02 0.00 -0.13 0.00 0.00 32.58 30.94 1wic s HIS 129 CO 0.04 -0.63 0.60 1.03 -2.47 0.00 0.00 174.74 173.31 1wic s ARG 130 N 1.60 4.15 0.17 2.88 0.52 -1.26 0.13 118.95 127.15 1wic s ARG 130 Ca 0.00 0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 55.67 1wic s ARG 130 Cb -0.15 -3.61 -0.06 0.00 0.52 0.00 0.00 34.95 31.64 1wic s ARG 130 CO -0.08 -0.31 0.44 -1.17 0.02 0.00 0.00 175.30 174.20 1wic s LEU 131 N 2.15 4.24 0.07 2.53 1.98 0.29 -4.72 118.68 125.23 1wic s LEU 131 Ca 0.26 0.73 0.06 0.00 -2.89 0.00 0.00 54.13 52.29 1wic s LEU 131 Cb -0.16 -3.41 -0.03 0.00 0.66 0.00 0.00 46.19 43.26 1wic s LEU 131 CO 0.09 0.02 -0.16 0.00 -1.89 0.00 0.00 176.35 174.42 1wic s ARG 132 N -2.63 0.91 0.40 1.98 1.70 -1.26 -2.05 118.95 118.00 1wic s ARG 132 Ca 0.42 -0.96 -0.07 0.00 -0.47 0.00 0.00 55.73 54.65 1wic s ARG 132 Cb -0.12 -0.97 -0.05 0.00 -0.57 0.00 0.00 34.95 33.24 1wic s ARG 132 CO 0.23 0.22 0.72 0.00 -1.08 0.00 0.00 175.30 175.39 1wic n HIS 134 N -1.50 2.30 -0.18 0.00 -0.00 -0.88 -4.65 115.22 110.31 1wic n HIS 134 Ca 0.01 -2.56 -0.13 0.00 0.46 0.00 0.00 57.72 55.50 1wic n HIS 134 Cb 0.54 -1.24 0.12 0.00 -0.12 0.00 0.00 29.99 29.29 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wic n THR 135 N 1.08 0.00 -4.18 3.57 -2.24 -1.26 -3.83 114.28 107.42 1wic n THR 135 Ca 0.29 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.75 1wic n THR 135 Cb 0.32 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1wic n THR 135 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wic n VAL 136 N -4.07 -1.91 -2.68 2.28 3.14 -1.26 -4.86 118.33 108.96 1wic n VAL 136 Ca 0.06 -0.53 -0.04 0.00 -2.96 0.00 0.00 64.34 60.86 1wic n VAL 136 Cb 0.25 -1.70 0.04 0.00 -1.06 0.00 0.00 33.84 31.37 1wic n VAL 136 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1wic n GLU 137 N -4.61 0.18 -1.18 1.45 0.00 -1.25 -4.70 120.64 110.53 1wic n GLU 137 Ca -0.28 -0.95 0.08 0.00 0.00 0.00 0.00 57.16 56.01 1wic n GLU 137 Cb 0.67 -0.19 -0.04 0.00 0.00 0.00 0.00 31.44 31.88 1wic n GLU 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1wic n SER 138 N 2.37 -6.40 0.00 4.31 7.64 -1.26 -4.69 113.62 115.59 1wic n SER 138 Ca 0.10 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1wic n SER 138 Cb 0.65 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.97 1wic n SER 138 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wic n SER 139 N -3.22 0.00 -4.59 6.43 2.88 -1.26 -4.91 113.62 108.95 1wic n SER 139 Ca -0.04 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.98 1wic n SER 139 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.88 1wic n SER 139 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wic n LYS 140 N 0.00 1.17 -1.56 -1.46 3.00 -1.26 -4.92 118.16 113.12 1wic n LYS 140 Ca 0.00 0.42 -0.30 0.00 -0.00 0.00 0.00 58.31 58.43 1wic n LYS 140 Cb 0.00 -2.05 0.08 0.00 0.00 0.00 0.00 35.03 33.06 1wic n LYS 140 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wic s PRO 141 N 0.38 2.30 -0.40 1.64 0.04 -1.26 -4.94 135.00 132.76 1wic s PRO 141 Ca 0.83 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.32 1wic s PRO 141 Cb -0.94 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1wic s PRO 141 CO 0.47 -1.49 0.94 -0.80 0.04 0.00 0.00 177.00 176.17 1wic s ASN 142 N -3.88 6.64 0.12 6.66 0.01 -1.26 -4.45 114.94 118.77 1wic s ASN 142 Ca 0.60 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 53.22 1wic s ASN 142 Cb -0.14 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1wic s ASN 142 CO 0.54 -0.93 0.00 -0.24 -1.51 0.00 0.00 177.10 174.96 1wic n SER 143 N 6.95 -1.04 -3.83 -1.22 2.88 -1.26 -5.12 113.62 110.98 1wic n SER 143 Ca 0.07 0.44 -0.22 0.00 -1.33 0.00 0.00 58.87 57.83 1wic n SER 143 Cb 0.48 1.23 -0.17 0.00 -0.75 0.00 0.00 64.21 65.01 1wic n SER 143 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wic s LEU 144 N -5.67 0.94 0.09 2.46 2.96 -1.26 -5.14 118.68 113.05 1wic s LEU 144 Ca 0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1wic s LEU 144 Cb 0.00 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 1wic s LEU 144 CO 0.00 -0.13 -0.09 0.00 -1.32 0.00 0.00 176.35 174.81 1wic s MET 145 N 1.51 0.78 -0.44 1.98 0.23 -1.26 -4.95 119.30 117.15 1wic s MET 145 Ca -0.02 -1.11 0.08 0.00 -1.03 0.00 0.00 55.69 53.61 1wic s MET 145 Cb -0.13 -0.44 0.29 0.00 -1.53 0.00 0.00 34.83 33.02 1wic s MET 145 CO -0.03 0.06 0.86 1.47 -2.03 0.00 0.00 175.02 175.35 1wic n LEU 146 N 0.64 -1.39 -4.36 0.18 -0.00 -1.26 -5.13 117.00 105.67 1wic n LEU 146 Ca -0.17 -4.04 -0.41 0.00 -0.00 0.00 0.00 56.01 51.39 1wic n LEU 146 Cb 0.58 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.81 1wic n LEU 146 CO 0.26 2.10 -0.23 -1.20 -0.00 0.00 0.00 177.39 178.32 1wic n SER 147 N 0.90 -2.06 0.00 1.45 7.64 -1.26 -4.96 113.62 115.34 1wic n SER 147 Ca 0.14 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1wic n SER 147 Cb 0.64 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1wic n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 148 N 2.10 3.82 3.82 0.23 0.00 -1.26 -5.17 105.19 108.73 1wic n GLY 148 Ca 0.11 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1wic n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wic s PRO 149 N 1.45 2.73 0.07 1.61 0.04 -1.26 -4.76 135.00 134.89 1wic s PRO 149 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1wic s PRO 149 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wic s PRO 149 CO 0.00 -1.22 0.00 0.43 0.04 0.00 0.00 177.00 176.25 1wic n SER 150 N -3.20 -8.55 -1.28 6.66 7.64 -1.26 -4.91 113.62 108.71 1wic n SER 150 Ca 0.07 1.51 0.15 0.00 1.01 0.00 0.00 58.87 61.62 1wic n SER 150 Cb 0.54 -4.70 -0.06 0.00 -1.01 0.00 0.00 64.21 58.99 1wic n SER 150 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wic n SER 151 N 1.64 -7.20 0.00 6.43 3.41 -1.26 -5.14 113.62 111.51 1wic n SER 151 Ca 0.00 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1wic n SER 151 Cb 0.00 -4.12 0.00 0.00 -0.26 0.00 0.00 64.21 59.83 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49