#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 -1.22 0.10 1.61 1.04 -1.26 -5.06 113.70 108.91 1wic s SER 2 Ca 0.00 1.31 -0.27 0.00 0.48 0.00 0.00 55.95 57.47 1wic s SER 2 Cb 0.00 2.24 -0.10 0.00 0.10 0.00 0.00 66.02 68.27 1wic s SER 2 CO 0.00 -0.24 1.44 -1.28 0.98 0.00 0.00 173.24 174.15 1wic h SER 3 N 8.00 -1.46 0.00 7.02 0.87 -2.10 -3.45 113.55 122.43 1wic h SER 3 Ca -0.20 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wic h SER 3 Cb 1.12 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1wic h SER 3 CO 0.16 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 1wic n GLY 4 N -1.32 -0.40 3.38 5.77 0.00 -1.26 -5.17 105.19 106.19 1wic n GLY 4 Ca -0.04 0.46 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.65 -0.85 1.61 0.01 -1.26 -5.09 113.70 107.47 1wic s SER 5 Ca 0.00 1.15 -0.02 0.00 1.31 0.00 0.00 55.95 58.39 1wic s SER 5 Cb 0.00 1.77 0.21 0.00 0.21 0.00 0.00 66.02 68.21 1wic s SER 5 CO 0.00 -0.23 0.72 -0.44 0.41 0.00 0.00 173.24 173.70 1wic s SER 6 N 2.74 5.86 0.50 2.44 0.01 -1.26 -5.03 113.70 118.96 1wic s SER 6 Ca -0.00 -3.59 0.00 0.00 1.31 0.00 0.00 55.95 53.66 1wic s SER 6 Cb -0.12 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1wic s SER 6 CO -0.16 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1wic n GLY 7 N 2.50 -2.66 2.77 3.44 0.00 -1.26 -4.83 105.19 105.15 1wic n GLY 7 Ca 0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1wic n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wic n LYS 8 N -4.28 1.52 -4.17 1.61 2.85 -1.26 -5.10 118.16 109.32 1wic n LYS 8 Ca -0.04 -3.03 -0.11 0.00 -1.05 0.00 0.00 58.31 54.08 1wic n LYS 8 Cb 0.68 -1.15 -0.10 0.00 -0.65 0.00 0.00 35.03 33.81 1wic n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1wic s LYS 9 N -2.87 0.89 0.88 -1.58 -2.85 -1.26 -5.16 119.74 107.78 1wic s LYS 9 Ca 0.24 -1.39 -0.12 0.00 -1.00 0.00 0.00 55.97 53.70 1wic s LYS 9 Cb 0.37 -0.09 0.12 0.00 -2.06 0.00 0.00 37.83 36.18 1wic s LYS 9 CO -0.04 -0.10 1.13 -1.25 0.10 0.00 0.00 175.35 175.19 1wic s PRO 10 N -3.90 1.42 1.24 1.78 0.04 -1.26 -5.03 135.00 129.29 1wic s PRO 10 Ca 0.16 0.39 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 1wic s PRO 10 Cb 0.06 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 33.01 1wic s PRO 10 CO -0.02 -2.03 0.63 1.28 0.04 0.00 0.00 177.00 176.90 1wic n LEU 11 N -3.67 -1.37 -4.56 -3.56 4.32 -1.26 -5.02 117.00 101.88 1wic n LEU 11 Ca 0.07 -0.45 -0.28 0.00 -0.02 0.00 0.00 56.01 55.32 1wic n LEU 11 Cb 0.58 -1.01 -0.10 0.00 -1.62 0.00 0.00 43.42 41.28 1wic n LEU 11 CO 0.57 -3.71 -0.42 -0.94 -1.22 0.00 0.00 177.39 171.66 1wic s SER 12 N -2.42 4.26 -0.03 -1.43 1.04 -1.26 -5.07 113.70 108.79 1wic s SER 12 Ca 0.59 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 1wic s SER 12 Cb -0.15 -0.74 0.03 0.00 0.10 0.00 0.00 66.02 65.27 1wic s SER 12 CO 0.56 0.13 0.05 -0.69 0.98 0.00 0.00 173.24 174.28 1wic s VAL 13 N -1.49 -0.10 -0.80 5.02 1.01 -1.26 -2.40 120.40 120.38 1wic s VAL 13 Ca 0.23 0.36 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 1wic s VAL 13 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1wic s VAL 13 CO 0.14 0.15 1.71 0.12 0.00 0.00 0.00 175.10 177.22 1wic s PHE 14 N 1.82 1.98 -0.51 5.22 5.36 -0.62 -4.78 117.98 126.44 1wic s PHE 14 Ca 0.00 0.29 -0.26 0.00 -0.96 0.00 0.00 56.93 56.01 1wic s PHE 14 Cb -0.12 -4.29 -0.07 0.00 -0.34 0.00 0.00 43.02 38.20 1wic s PHE 14 CO -0.03 -2.03 2.40 0.15 -1.46 0.00 0.00 175.22 174.25 1wic s LYS 15 N 6.42 2.07 0.47 10.12 -0.14 -1.26 -2.85 119.74 134.57 1wic s LYS 15 Ca 0.58 1.34 -0.08 0.00 -1.36 0.00 0.00 55.97 56.45 1wic s LYS 15 Cb -0.08 -4.59 -0.05 0.00 -1.68 0.00 0.00 37.83 31.43 1wic s LYS 15 CO 0.07 -3.34 0.81 0.20 -0.76 0.00 0.00 175.35 172.33 1wic s GLY 16 N 12.08 1.72 0.36 -3.33 0.00 -1.26 -4.97 107.32 111.91 1wic s GLY 16 Ca 0.97 -0.31 0.27 0.00 0.00 0.00 0.00 44.72 45.64 1wic s GLY 16 CO 0.25 -0.12 1.77 -0.56 0.00 0.00 0.00 173.10 174.44 1wic h PRO 17 N 0.62 0.00 0.00 2.90 0.13 -2.00 -3.41 132.00 130.23 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wic h PRO 17 CO 0.63 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1wic n LEU 18 N -2.65 0.00 -4.46 1.56 4.77 -1.26 -4.83 117.00 110.14 1wic n LEU 18 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.37 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1wic n LEU 18 CO 0.28 -0.20 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.57 1wic s LEU 19 N -3.23 3.23 -0.24 2.23 1.98 -1.26 -2.76 118.68 118.63 1wic s LEU 19 Ca 0.00 -0.19 -0.29 0.00 -2.89 0.00 0.00 54.13 50.76 1wic s LEU 19 Cb 0.00 -1.80 0.01 0.00 0.66 0.00 0.00 46.19 45.05 1wic s LEU 19 CO 0.00 0.10 1.12 -1.00 -1.89 0.00 0.00 176.35 174.68 1wic s HIS 20 N 0.77 3.14 0.15 5.38 3.76 0.36 -4.19 115.29 124.67 1wic s HIS 20 Ca -0.01 1.27 -0.04 0.00 -0.15 0.00 0.00 55.06 56.14 1wic s HIS 20 Cb -0.14 -3.45 -0.05 0.00 1.11 0.00 0.00 32.58 30.05 1wic s HIS 20 CO 0.02 -0.91 0.37 0.42 -0.85 0.00 0.00 174.74 173.79 1wic s ILE 21 N 3.44 5.19 -0.09 0.60 1.01 -1.13 0.22 121.20 130.43 1wic s ILE 21 Ca 0.48 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 1wic s ILE 21 Cb -0.16 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1wic s ILE 21 CO 0.11 0.01 0.28 -0.44 0.00 0.00 0.00 174.94 174.90 1wic s SER 22 N -2.56 -0.27 0.20 3.58 0.01 0.12 -1.59 113.70 113.18 1wic s SER 22 Ca 0.40 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1wic s SER 22 Cb -0.12 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wic s SER 22 CO 0.26 -0.16 0.00 -0.81 0.41 0.00 0.00 173.24 172.94 1wic n PRO 23 N 2.65 0.71 0.00 12.44 -0.04 -1.26 -0.72 135.00 148.77 1wic n PRO 23 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1wic n PRO 23 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.01 -4.24 120.51 109.97 1wic n ALA 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1wic n ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.02 2.28 -3.15 0.00 0.28 -1.26 -4.60 120.64 114.16 1wic n GLU 25 Ca 0.00 -4.07 0.04 0.00 -0.16 0.00 0.00 57.16 52.97 1wic n GLU 25 Cb 0.00 -1.90 -0.01 0.00 1.43 0.00 0.00 31.44 30.96 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 -3.15 0.47 -0.20 3.44 -1.05 -1.15 -4.51 118.70 112.56 1wic s GLU 26 Ca 0.42 0.62 -0.08 0.00 -0.15 0.00 0.00 54.97 55.78 1wic s GLU 26 Cb 0.36 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 34.33 1wic s GLU 26 CO -0.10 -0.71 0.08 -0.51 0.95 0.00 0.00 175.26 174.97 1wic s LEU 27 N 2.87 3.85 -0.21 1.83 1.43 0.54 -4.69 118.68 124.30 1wic s LEU 27 Ca 0.15 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1wic s LEU 27 Cb -0.11 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1wic s LEU 27 CO -0.22 0.14 -0.08 -0.31 0.23 0.00 0.00 176.35 176.11 1wic s TYR 28 N 0.56 2.35 -0.94 0.29 2.02 -1.26 -1.62 117.35 118.74 1wic s TYR 28 Ca 0.04 -1.62 -0.18 0.00 -0.37 0.00 0.00 57.07 54.95 1wic s TYR 28 Cb -0.13 -1.58 0.14 0.00 -0.40 0.00 0.00 41.96 39.99 1wic s TYR 28 CO 0.01 -0.74 1.12 -0.06 -1.57 0.00 0.00 175.55 174.30 1wic s PHE 29 N 1.42 3.21 0.00 2.71 0.40 -1.26 -4.38 117.98 120.08 1wic s PHE 29 Ca -0.03 -1.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.79 1wic s PHE 29 Cb -0.17 -4.24 0.00 0.00 0.51 0.00 0.00 43.02 39.12 1wic s PHE 29 CO -0.07 -1.44 0.00 0.41 0.70 0.00 0.00 175.22 174.82 1wic n GLY 30 N 5.25 1.51 3.57 4.36 0.00 -1.24 -4.18 105.19 114.47 1wic n GLY 30 Ca 0.24 0.36 -0.25 0.00 0.00 0.00 0.00 46.02 46.37 1wic n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wic s SER 31 N 0.00 3.95 0.01 1.61 0.15 -0.95 -4.89 113.70 113.58 1wic s SER 31 Ca 0.00 -1.04 -0.04 0.00 0.70 0.00 0.00 55.95 55.58 1wic s SER 31 Cb 0.00 -0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1wic s SER 31 CO 0.00 -0.16 0.22 -0.63 1.20 0.00 0.00 173.24 173.87 1wic s ILE 32 N -2.53 5.39 0.00 6.45 1.09 -1.26 -3.00 121.20 127.34 1wic s ILE 32 Ca 0.33 -0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 1wic s ILE 32 Cb -0.01 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1wic s ILE 32 CO 0.18 0.31 0.00 -0.62 -0.10 0.00 0.00 174.94 174.70 1wic n GLU 33 N 0.89 0.00 0.19 2.79 1.02 -1.26 -3.84 120.64 120.44 1wic n GLU 33 Ca -0.10 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1wic n GLU 33 Cb 0.52 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 32.33 1wic n GLU 33 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wic h SER 34 N 0.00 0.00 0.00 1.62 0.87 -2.03 -3.48 113.55 110.53 1wic h SER 34 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wic h SER 34 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wic h SER 34 CO 0.00 0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.27 1wic n GLY 35 N -0.10 0.76 0.90 5.77 0.00 -1.16 -4.99 105.19 106.36 1wic n GLY 35 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1wic n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wic n GLU 36 N 1.59 -2.52 -2.50 1.61 2.13 -1.26 -3.39 120.64 116.30 1wic n GLU 36 Ca 0.00 1.82 -0.43 0.00 0.66 0.00 0.00 57.16 59.22 1wic n GLU 36 Cb 0.00 -2.01 0.01 0.00 0.27 0.00 0.00 31.44 29.71 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wic n LYS 37 N -0.09 3.85 -4.33 5.31 5.02 -1.26 -2.25 118.16 124.41 1wic n LYS 37 Ca 0.00 -3.79 -0.20 0.00 -2.02 0.00 0.00 58.31 52.30 1wic n LYS 37 Cb 0.00 -2.82 -0.13 0.00 -0.02 0.00 0.00 35.03 32.06 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 -0.45 0.90 0.22 1.97 2.36 -1.26 -4.58 119.74 118.90 1wic s LYS 38 Ca 0.37 -0.74 0.06 0.00 -2.55 0.00 0.00 55.97 53.12 1wic s LYS 38 Cb 0.09 -0.89 -0.04 0.00 -1.05 0.00 0.00 37.83 35.94 1wic s LYS 38 CO 0.03 0.22 0.20 -0.08 1.55 0.00 0.00 175.35 177.27 1wic s THR 39 N -0.85 4.59 -0.11 3.43 -1.32 -0.95 -3.59 115.64 116.84 1wic s THR 39 Ca 0.01 -1.23 -0.01 0.00 -1.21 0.00 0.00 61.69 59.25 1wic s THR 39 Cb -0.08 -3.43 0.03 0.00 -1.51 0.00 0.00 72.50 67.51 1wic s THR 39 CO 0.01 -0.26 -0.03 -0.22 -2.21 0.00 0.00 174.62 171.91 1wic s LEU 40 N -3.60 0.99 0.01 9.08 2.96 -1.26 -0.50 118.68 126.36 1wic s LEU 40 Ca 0.32 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1wic s LEU 40 Cb -0.09 -0.66 -0.06 0.00 0.50 0.00 0.00 46.19 45.89 1wic s LEU 40 CO 0.25 -0.18 0.52 -0.63 -1.32 0.00 0.00 176.35 174.99 1wic s ILE 41 N 1.82 4.92 -0.15 6.68 1.01 0.20 -4.60 121.20 131.09 1wic s ILE 41 Ca 0.04 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.76 1wic s ILE 41 Cb -0.13 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1wic s ILE 41 CO -0.07 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.55 1wic s VAL 42 N -0.64 2.98 -0.38 2.92 1.01 0.10 -0.29 120.40 126.09 1wic s VAL 42 Ca 0.27 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1wic s VAL 42 Cb -0.18 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.02 1wic s VAL 42 CO 0.16 0.51 0.17 -0.76 0.00 0.00 0.00 175.10 175.18 1wic s LEU 43 N 0.60 4.86 -0.51 3.92 1.43 -1.14 0.14 118.68 127.99 1wic s LEU 43 Ca -0.07 -1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 51.21 1wic s LEU 43 Cb -0.16 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1wic s LEU 43 CO 0.03 -0.47 0.65 -0.89 0.23 0.00 0.00 176.35 175.91 1wic s THR 44 N 1.28 4.83 -0.56 5.49 2.01 0.60 -1.90 115.64 127.40 1wic s THR 44 Ca 0.03 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1wic s THR 44 Cb -0.22 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1wic s THR 44 CO -0.01 -0.82 1.41 0.21 -0.69 0.00 0.00 174.62 174.72 1wic s ASN 45 N 2.67 6.14 -0.07 3.53 3.84 -0.73 0.14 114.94 130.46 1wic s ASN 45 Ca 0.17 0.30 -0.09 0.00 0.21 0.00 0.00 52.86 53.44 1wic s ASN 45 Cb -0.18 -2.55 -0.29 0.00 -0.55 0.00 0.00 41.25 37.68 1wic s ASN 45 CO 0.13 -1.70 0.59 -0.37 -2.79 0.00 0.00 177.10 172.96 1wic h VAL 46 N 6.38 0.85 -2.89 -5.21 -1.51 -1.84 -1.29 116.25 110.74 1wic h VAL 46 Ca -0.27 -2.47 -0.51 0.00 -1.23 0.00 0.00 66.70 62.22 1wic h VAL 46 Cb 1.09 2.69 0.22 0.00 -2.13 0.00 0.00 31.29 33.17 1wic h VAL 46 CO 1.17 0.87 -0.93 0.35 -1.23 0.00 0.00 177.57 177.81 1wic n THR 47 N -3.55 0.00 0.00 7.19 -2.24 -1.13 -4.70 114.28 109.85 1wic n THR 47 Ca -0.26 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 1wic n THR 47 Cb 1.07 -0.53 0.15 0.00 -2.10 0.00 0.00 70.33 68.92 1wic n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wic n LYS 48 N -1.18 2.31 -3.98 -0.78 4.01 -1.26 -4.26 118.16 113.02 1wic n LYS 48 Ca 0.04 -1.50 -0.09 0.00 -0.51 0.00 0.00 58.31 56.24 1wic n LYS 48 Cb 0.57 -1.74 -0.06 0.00 -0.51 0.00 0.00 35.03 33.29 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1wic s ASN 49 N -0.26 -0.06 0.82 4.39 0.01 -1.26 -4.93 114.94 113.65 1wic s ASN 49 Ca 0.27 -0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 51.41 1wic s ASN 49 Cb 0.22 0.53 0.09 0.00 0.41 0.00 0.00 41.25 42.49 1wic s ASN 49 CO 0.07 -1.04 1.12 -0.63 -1.51 0.00 0.00 177.10 175.10 1wic s ILE 50 N -4.00 2.78 -0.24 0.60 1.01 -1.25 -3.85 121.20 116.24 1wic s ILE 50 Ca 0.21 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 1wic s ILE 50 Cb 0.01 -2.57 0.08 0.00 0.01 0.00 0.00 42.46 39.99 1wic s ILE 50 CO 0.06 -0.32 0.08 -0.69 0.00 0.00 0.00 174.94 174.07 1wic s VAL 51 N -2.73 0.43 -0.50 2.92 1.01 0.35 0.32 120.40 122.19 1wic s VAL 51 Ca 0.64 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1wic s VAL 51 Cb -0.20 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1wic s VAL 51 CO 0.56 -0.45 1.97 0.00 0.00 0.00 0.00 175.10 177.18 1wic s ALA 52 N 1.87 2.26 0.30 5.51 0.00 0.57 -1.04 121.76 131.23 1wic s ALA 52 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1wic s ALA 52 Cb -0.17 -4.23 -0.03 0.00 0.00 0.00 0.00 23.12 18.69 1wic s ALA 52 CO -0.19 -3.65 0.47 -0.59 0.00 0.00 0.00 175.76 171.80 1wic s PHE 53 N 9.13 3.48 -0.26 0.00 -0.12 -0.20 -1.95 117.98 128.06 1wic s PHE 53 Ca 0.78 0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 57.70 1wic s PHE 53 Cb -0.17 -1.77 0.07 0.00 -0.63 0.00 0.00 43.02 40.53 1wic s PHE 53 CO 0.25 0.25 0.65 0.15 -0.05 0.00 0.00 175.22 176.48 1wic s LYS 54 N -4.16 0.69 -0.26 1.99 1.02 -0.51 -3.22 119.74 115.29 1wic s LYS 54 Ca 0.38 1.12 -0.10 0.00 0.02 0.00 0.00 55.97 57.38 1wic s LYS 54 Cb -0.09 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1wic s LYS 54 CO 0.33 -0.14 0.17 0.08 -0.92 0.00 0.00 175.35 174.87 1wic s VAL 55 N 1.36 5.22 0.03 3.17 1.01 -1.26 0.21 120.40 130.13 1wic s VAL 55 Ca -0.08 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1wic s VAL 55 Cb -0.05 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1wic s VAL 55 CO -0.15 0.29 -0.18 -0.60 0.00 0.00 0.00 175.10 174.46 1wic s ARG 56 N 1.52 1.29 0.09 2.72 3.00 0.31 -4.93 118.95 122.94 1wic s ARG 56 Ca 0.07 -0.83 0.02 0.00 -1.00 0.00 0.00 55.73 53.99 1wic s ARG 56 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 34.95 33.42 1wic s ARG 56 CO 0.08 0.35 -0.07 -0.08 0.00 0.00 0.00 175.30 175.58 1wic s THR 57 N -0.73 0.68 -1.20 4.11 -1.32 -1.26 0.17 115.64 116.10 1wic s THR 57 Ca 0.06 -1.79 0.21 0.00 -1.21 0.00 0.00 61.69 58.96 1wic s THR 57 Cb -0.08 -1.50 0.26 0.00 -1.51 0.00 0.00 72.50 69.67 1wic s THR 57 CO 0.01 -0.78 1.66 0.35 -2.21 0.00 0.00 174.62 173.65 1wic n THR 58 N 0.22 0.49 -2.95 5.08 -2.24 -1.21 -3.91 114.28 109.75 1wic n THR 58 Ca -0.14 0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1wic n THR 58 Cb 0.60 -0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.40 0.00 1.50 6.98 0.00 -1.26 -4.96 120.51 121.37 1wic n ALA 59 Ca 0.07 -2.02 0.12 0.00 0.00 0.00 0.00 53.44 51.61 1wic n ALA 59 Cb 0.21 -1.17 0.69 0.00 0.00 0.00 0.00 19.45 19.18 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 2.11 0.75 -1.58 0.00 -0.04 -1.25 -3.68 135.00 131.31 1wic n PRO 60 Ca 0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.32 1wic n PRO 60 Cb 0.57 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.98 2.49 0.00 0.54 0.28 -1.26 -3.98 120.64 117.72 1wic n GLU 61 Ca 0.17 -2.73 0.00 0.00 -0.16 0.00 0.00 57.16 54.44 1wic n GLU 61 Cb 0.08 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 30.79 1wic n GLU 61 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wic n LYS 62 N 0.27 0.00 -3.55 3.44 2.85 -1.24 -5.00 118.16 114.93 1wic n LYS 62 Ca 0.50 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.36 1wic n LYS 62 Cb 0.45 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.73 1wic n LYS 62 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1wic s TYR 63 N -0.92 3.22 -0.86 5.58 2.02 -1.25 0.16 117.35 125.30 1wic s TYR 63 Ca 0.00 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 1wic s TYR 63 Cb 0.00 -2.46 0.07 0.00 -0.40 0.00 0.00 41.96 39.17 1wic s TYR 63 CO 0.00 -0.39 1.22 0.50 -1.57 0.00 0.00 175.55 175.31 1wic s ARG 64 N 1.70 3.40 -0.08 -0.62 3.00 0.14 -4.81 118.95 121.69 1wic s ARG 64 Ca 0.06 -1.05 -0.18 0.00 -1.00 0.00 0.00 55.73 53.56 1wic s ARG 64 Cb -0.17 -4.75 -0.05 0.00 0.00 0.00 0.00 34.95 29.98 1wic s ARG 64 CO 0.10 -2.00 0.50 0.08 0.00 0.00 0.00 175.30 173.98 1wic s VAL 65 N 4.33 5.12 -0.28 7.11 1.01 -1.26 -3.00 120.40 133.43 1wic s VAL 65 Ca 0.35 1.00 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 1wic s VAL 65 Cb -0.07 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.58 1wic s VAL 65 CO -0.00 0.37 0.81 -0.75 0.00 0.00 0.00 175.10 175.53 1wic s LYS 66 N 0.28 0.62 0.34 2.72 2.20 -0.67 -3.75 119.74 121.48 1wic s LYS 66 Ca 0.27 0.96 -0.27 0.00 -0.36 0.00 0.00 55.97 56.57 1wic s LYS 66 Cb -0.16 0.18 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 1wic s LYS 66 CO 0.12 -0.11 1.07 -1.25 -0.36 0.00 0.00 175.35 174.82 1wic s PRO 67 N 1.17 4.42 -0.28 4.03 0.04 -1.25 -0.19 135.00 142.94 1wic s PRO 67 Ca -0.06 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.72 1wic s PRO 67 Cb -0.05 -2.88 0.51 0.00 0.04 0.00 0.00 34.50 32.12 1wic s PRO 67 CO -0.13 0.06 1.46 -1.13 0.04 0.00 0.00 177.00 177.29 1wic n SER 68 N 0.60 2.65 -3.15 6.66 3.41 -1.25 -4.70 113.62 117.84 1wic n SER 68 Ca 0.02 -3.67 0.06 0.00 -0.26 0.00 0.00 58.87 55.02 1wic n SER 68 Cb 0.47 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.46 -0.01 0.00 4.04 2.20 -1.26 -4.41 114.94 113.03 1wic s ASN 69 Ca 0.44 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.37 1wic s ASN 69 Cb 0.40 1.01 0.00 0.00 -2.00 0.00 0.00 41.25 40.66 1wic s ASN 69 CO 0.01 -0.00 0.00 -0.24 -2.94 0.00 0.00 177.10 173.93 1wic n SER 70 N 5.34 0.00 -3.85 3.54 2.88 -1.20 -4.88 113.62 115.45 1wic n SER 70 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.36 1wic n SER 70 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1wic n SER 70 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 71 N -3.90 0.22 -0.13 -3.46 0.01 -1.26 -1.04 113.70 104.14 1wic s SER 71 Ca 0.00 -0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 1wic s SER 71 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 1wic s SER 71 CO 0.00 -0.04 0.52 0.00 0.41 0.00 0.00 173.24 174.13 1wic s ASP 73 N 0.76 4.36 0.34 0.00 1.11 -1.26 -0.49 116.67 121.49 1wic s ASP 73 Ca 0.27 1.81 -0.26 0.00 0.18 0.00 0.00 52.55 54.55 1wic s ASP 73 Cb -0.15 -2.49 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 1wic s ASP 73 CO 0.11 -2.12 1.07 -2.16 1.18 0.00 0.00 175.17 173.24 1wic s PRO 74 N -4.90 4.38 -1.00 8.23 0.04 -1.25 -3.20 135.00 137.30 1wic s PRO 74 Ca 0.61 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1wic s PRO 74 Cb -0.17 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1wic s PRO 74 CO 0.56 0.03 0.00 0.41 0.04 0.00 0.00 177.00 178.04 1wic n GLY 75 N 0.74 0.52 3.34 0.56 0.00 -0.49 -4.98 105.19 104.88 1wic n GLY 75 Ca 0.02 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.46 1.56 -0.01 4.61 0.00 -1.19 -5.02 121.76 119.24 1wic s ALA 76 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.03 1wic s ALA 76 Cb 0.00 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.51 1wic s ALA 76 CO 0.00 -0.70 0.02 -1.54 0.00 0.00 0.00 175.76 173.54 1wic s SER 77 N -3.33 -0.01 0.45 0.00 1.04 -1.26 -1.77 113.70 108.82 1wic s SER 77 Ca 0.38 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.91 1wic s SER 77 Cb 0.02 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1wic s SER 77 CO 0.26 -0.02 0.48 -0.51 0.98 0.00 0.00 173.24 174.43 1wic s ILE 78 N -0.05 2.57 -0.08 -1.02 2.07 -0.80 -4.91 121.20 118.98 1wic s ILE 78 Ca -0.01 -1.23 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 1wic s ILE 78 Cb -0.01 -2.79 0.02 0.00 0.13 0.00 0.00 42.46 39.81 1wic s ILE 78 CO 0.00 0.00 -0.06 1.51 -1.91 0.00 0.00 174.94 174.48 1wic s ASP 79 N -4.27 1.67 -0.26 4.50 1.47 -1.26 -2.90 116.67 115.62 1wic s ASP 79 Ca 0.50 -0.21 0.02 0.00 1.18 0.00 0.00 52.55 54.05 1wic s ASP 79 Cb -0.05 -0.64 0.06 0.00 -0.34 0.00 0.00 42.92 41.95 1wic s ASP 79 CO 0.30 -0.10 -0.09 -0.63 0.68 0.00 0.00 175.17 175.33 1wic s ILE 80 N 1.41 2.02 0.30 2.11 -1.09 0.60 -3.93 121.20 122.63 1wic s ILE 80 Ca -0.02 -1.55 -0.20 0.00 -2.23 0.00 0.00 60.65 56.65 1wic s ILE 80 Cb -0.13 -2.17 -0.09 0.00 -1.58 0.00 0.00 42.46 38.48 1wic s ILE 80 CO -0.04 -0.06 0.81 -0.63 -1.23 0.00 0.00 174.94 173.80 1wic s ILE 81 N 1.17 4.49 -0.30 2.92 1.09 0.74 0.63 121.20 131.93 1wic s ILE 81 Ca -0.08 1.35 -0.03 0.00 -1.10 0.00 0.00 60.65 60.79 1wic s ILE 81 Cb -0.20 -3.78 0.11 0.00 -1.06 0.00 0.00 42.46 37.53 1wic s ILE 81 CO -0.05 0.00 0.15 -0.69 -0.10 0.00 0.00 174.94 174.25 1wic s VAL 82 N -1.77 -0.01 -0.13 2.92 1.01 0.35 -1.66 120.40 121.10 1wic s VAL 82 Ca 0.51 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1wic s VAL 82 Cb -0.14 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1wic s VAL 82 CO 0.19 -0.79 -0.18 -0.55 0.00 0.00 0.00 175.10 173.77 1wic s SER 83 N 1.86 3.49 0.87 3.32 0.15 -1.16 -2.23 113.70 120.01 1wic s SER 83 Ca 0.11 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 1wic s SER 83 Cb -0.18 -1.51 0.12 0.00 -1.71 0.00 0.00 66.02 62.74 1wic s SER 83 CO -0.28 0.13 1.12 -2.16 1.20 0.00 0.00 173.24 173.25 1wic s PRO 84 N 0.53 1.44 0.50 5.44 0.04 -1.26 0.29 135.00 141.99 1wic s PRO 84 Ca -0.12 0.40 -0.22 0.00 0.04 0.00 0.00 61.00 61.11 1wic s PRO 84 Cb -0.16 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1wic s PRO 84 CO 0.04 -2.01 1.13 0.72 0.04 0.00 0.00 177.00 176.92 1wic n HIS 85 N -3.66 1.54 -1.82 0.56 8.25 0.42 -4.81 115.22 115.70 1wic n HIS 85 Ca 0.07 0.48 -0.39 0.00 -0.26 0.00 0.00 57.72 57.62 1wic n HIS 85 Cb 0.58 -2.27 -0.03 0.00 1.12 0.00 0.00 29.99 29.40 1wic n HIS 85 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1wic s GLY 86 N -0.88 0.06 0.00 -1.41 0.00 -1.26 -3.42 107.32 100.41 1wic s GLY 86 Ca 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1wic s GLY 86 CO 0.52 3.70 0.00 0.61 0.00 0.00 0.00 173.10 177.93 1wic n GLY 87 N 5.78 1.94 3.07 0.20 0.00 -1.26 -5.10 105.19 109.82 1wic n GLY 87 Ca 0.28 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.91 0.00 0.99 -0.00 -1.22 -5.02 117.00 109.84 1wic n LEU 88 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 1wic n LEU 88 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 1wic n LEU 88 CO 0.00 -3.02 0.00 0.35 -0.00 0.00 0.00 177.39 174.72 1wic n THR 89 N -4.21 0.00 0.41 1.47 -2.24 -1.26 -4.81 114.28 103.64 1wic n THR 89 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1wic n THR 89 Cb 0.46 -0.66 0.26 0.00 -2.10 0.00 0.00 70.33 68.29 1wic n THR 89 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wic n VAL 90 N -0.60 0.53 -1.23 2.28 0.24 -1.26 -4.85 118.33 113.44 1wic n VAL 90 Ca 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1wic n VAL 90 Cb 0.00 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1wic n VAL 90 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wic n SER 91 N 1.24 -1.06 0.00 -1.34 7.64 -1.26 -4.52 113.62 114.31 1wic n SER 91 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1wic n SER 91 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.70 2.50 0.32 -0.43 0.00 -1.26 -4.71 120.51 117.63 1wic n ALA 92 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1wic n ALA 92 Cb 0.00 0.30 0.50 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.45 0.16 -1.78 0.00 10.64 -1.26 -4.57 117.38 118.12 1wic n GLN 93 Ca 0.00 0.48 -0.38 0.00 -1.83 0.00 0.00 57.00 55.27 1wic n GLN 93 Cb 0.30 -1.87 -0.03 0.00 -0.86 0.00 0.00 30.24 27.78 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 -4.07 4.99 -0.05 2.61 2.15 -1.26 -4.94 116.67 116.10 1wic s ASP 94 Ca 0.02 0.92 -0.06 0.00 0.43 0.00 0.00 52.55 53.87 1wic s ASP 94 Cb 0.08 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1wic s ASP 94 CO 0.31 -2.48 0.19 -0.60 -0.17 0.00 0.00 175.17 172.42 1wic s ARG 95 N 7.35 3.48 0.14 4.34 6.06 -1.26 -4.64 118.95 134.43 1wic s ARG 95 Ca 0.85 -0.17 0.07 0.00 -2.50 0.00 0.00 55.73 53.98 1wic s ARG 95 Cb -0.18 -3.13 -0.04 0.00 0.06 0.00 0.00 34.95 31.66 1wic s ARG 95 CO 0.26 0.71 -0.03 -0.06 -2.50 0.00 0.00 175.30 173.68 1wic s PHE 96 N -1.19 2.84 0.02 5.12 0.08 -0.90 -3.33 117.98 120.61 1wic s PHE 96 Ca 0.22 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.17 1wic s PHE 96 Cb -0.13 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1wic s PHE 96 CO 0.12 0.49 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.49 1wic s LEU 97 N -2.65 2.11 -0.05 -0.37 1.98 0.46 -0.32 118.68 119.84 1wic s LEU 97 Ca 0.26 -0.29 -0.01 0.00 -2.89 0.00 0.00 54.13 51.20 1wic s LEU 97 Cb -0.10 -0.27 0.03 0.00 0.66 0.00 0.00 46.19 46.51 1wic s LEU 97 CO 0.17 -0.03 0.01 -0.63 -1.89 0.00 0.00 176.35 173.98 1wic s ILE 98 N -0.64 0.24 0.25 6.68 1.01 0.42 0.11 121.20 129.28 1wic s ILE 98 Ca -0.02 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1wic s ILE 98 Cb -0.05 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1wic s ILE 98 CO 0.00 0.21 0.43 -0.04 0.00 0.00 0.00 174.94 175.54 1wic s MET 99 N 1.66 3.49 -0.30 2.79 -1.94 0.55 0.08 119.30 125.63 1wic s MET 99 Ca -0.00 -0.46 -0.10 0.00 -1.71 0.00 0.00 55.69 53.42 1wic s MET 99 Cb -0.13 -2.80 0.15 0.00 2.01 0.00 0.00 34.83 34.06 1wic s MET 99 CO -0.03 0.34 0.72 0.00 -0.01 0.00 0.00 175.02 176.03 1wic s ALA 100 N -2.03 -2.25 -0.03 3.03 0.00 0.30 -1.42 121.76 119.36 1wic s ALA 100 Ca 0.38 2.19 0.03 0.00 0.00 0.00 0.00 51.96 54.56 1wic s ALA 100 Cb -0.10 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1wic s ALA 100 CO 0.31 -1.01 -0.12 0.00 0.00 0.00 0.00 175.76 174.93 1wic s ALA 101 N 2.81 1.14 -0.20 0.00 0.00 -0.82 0.24 121.76 124.93 1wic s ALA 101 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1wic s ALA 101 Cb -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1wic s ALA 101 CO -0.19 0.20 1.64 -2.00 0.00 0.00 0.00 175.76 175.42 1wic s GLU 102 N 0.09 3.83 0.64 0.00 2.12 -1.26 -0.32 118.70 123.79 1wic s GLU 102 Ca -0.03 1.75 -0.01 0.00 0.36 0.00 0.00 54.97 57.04 1wic s GLU 102 Cb -0.09 -4.04 0.07 0.00 0.26 0.00 0.00 34.13 30.32 1wic s GLU 102 CO 0.01 -1.26 0.90 -1.64 -0.54 0.00 0.00 175.26 172.73 1wic s MET 103 N 4.65 2.18 0.00 4.30 -1.94 0.15 -4.93 119.30 123.71 1wic s MET 103 Ca 0.73 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1wic s MET 103 Cb -0.26 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.21 1wic s MET 103 CO 0.29 -1.06 0.00 0.39 -0.01 0.00 0.00 175.02 174.63 1wic n GLU 104 N -2.63 2.81 -0.08 2.03 1.02 -1.26 -4.16 120.64 118.38 1wic n GLU 104 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1wic n GLU 104 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.89 -3.42 3.49 10.64 -1.26 -3.87 117.38 123.86 1wic n GLN 105 Ca 0.00 0.06 -0.43 0.00 -1.83 0.00 0.00 57.00 54.80 1wic n GLN 105 Cb 0.00 -1.33 -0.09 0.00 -0.86 0.00 0.00 30.24 27.96 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 -5.28 6.13 0.02 2.61 0.01 -1.26 -4.95 113.70 110.97 1wic s SER 106 Ca -0.17 -0.98 -0.18 0.00 1.31 0.00 0.00 55.95 55.93 1wic s SER 106 Cb 0.05 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.14 1wic s SER 106 CO 0.43 -0.53 0.39 -0.44 0.41 0.00 0.00 173.24 173.50 1wic s SER 107 N 1.95 -0.27 0.00 2.44 0.01 -1.26 -5.04 113.70 111.54 1wic s SER 107 Ca 0.06 0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.52 1wic s SER 107 Cb -0.20 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.43 1wic s SER 107 CO 0.10 -0.58 0.76 0.61 0.41 0.00 0.00 173.24 174.54 1wic n GLY 108 N 0.81 -0.11 3.31 3.44 0.00 -1.26 -4.97 105.19 106.41 1wic n GLY 108 Ca -0.20 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1wic n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wic n THR 109 N -0.05 -0.55 -1.36 2.61 -2.24 -1.26 -4.91 114.28 106.51 1wic n THR 109 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1wic n THR 109 Cb 0.28 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 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 -0.97 -0.42 0.18 3.38 0.00 -1.26 -4.42 105.19 101.68 1wic n GLY 110 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.91 -3.16 132.00 128.67 1wic h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wic h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wic h PRO 111 CO 0.00 0.40 -0.42 0.00 -0.23 0.00 0.00 178.00 177.74 1wic n ALA 112 N -2.26 0.37 -0.20 -0.56 0.00 -1.26 -3.37 120.51 113.23 1wic n ALA 112 Ca 0.01 -0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.24 1wic n ALA 112 Cb 0.58 0.01 0.34 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.89 -0.04 0.00 0.00 -0.58 -1.26 0.05 120.64 114.93 1wic n GLU 113 Ca -0.06 0.86 -0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1wic n GLU 113 Cb 0.22 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.29 -4.62 -0.00 -1.73 -0.84 115.31 106.83 1wic h LEU 114 Ca 0.50 0.00 0.41 0.00 -0.00 0.00 0.00 57.88 58.79 1wic h LEU 114 Cb 1.31 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.88 1wic h LEU 114 CO -0.49 -0.00 0.87 -0.24 -0.00 0.00 0.00 178.44 178.58 1wic n SER 115 N -2.08 0.10 0.08 -0.43 2.88 0.11 0.12 113.62 114.41 1wic n SER 115 Ca -0.00 0.98 -0.07 0.00 -1.33 0.00 0.00 58.87 58.45 1wic n SER 115 Cb 0.01 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 1wic n SER 115 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1wic h GLN 116 N 0.00 -0.29 -0.59 -1.46 1.08 -0.53 -2.64 115.11 110.68 1wic h GLN 116 Ca 0.72 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 58.06 1wic h GLN 116 Cb 2.55 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 30.02 1wic h GLN 116 CO -0.23 -0.09 0.40 0.35 -0.95 0.00 0.00 178.83 178.32 1wic h PHE 117 N -1.04 0.28 0.00 2.96 3.57 0.25 1.15 116.94 124.11 1wic h PHE 117 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wic h PHE 117 Cb 0.34 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1wic h PHE 117 CO 0.03 0.12 0.00 -1.49 -2.23 0.00 0.00 178.31 174.74 1wic h TRP 118 N 0.25 0.00 0.00 0.41 4.06 0.24 1.26 115.95 122.18 1wic h TRP 118 Ca 0.28 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.16 1wic h TRP 118 Cb 0.76 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 1wic h TRP 118 CO -0.00 0.00 -1.23 1.17 -3.56 0.00 0.00 178.44 174.82 1wic n LYS 119 N -2.51 0.61 -0.12 0.49 0.00 0.38 -4.31 118.16 112.70 1wic n LYS 119 Ca 0.03 0.15 -0.24 0.00 0.00 0.00 0.00 58.31 58.25 1wic n LYS 119 Cb 0.35 -1.80 -0.11 0.00 0.00 0.00 0.00 35.03 33.47 1wic n LYS 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wic n GLU 120 N -2.74 0.63 -2.28 1.64 0.28 -0.04 -4.89 120.64 113.23 1wic n GLU 120 Ca -0.04 0.24 -0.43 0.00 -0.16 0.00 0.00 57.16 56.77 1wic n GLU 120 Cb 0.67 -1.54 -0.02 0.00 1.43 0.00 0.00 31.44 31.98 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wic s VAL 121 N -2.51 4.02 0.88 3.84 0.11 0.43 -5.00 120.40 122.17 1wic s VAL 121 Ca -0.35 1.25 -0.12 0.00 -2.93 0.00 0.00 61.98 59.82 1wic s VAL 121 Cb 0.11 -3.80 0.12 0.00 -1.53 0.00 0.00 36.38 31.28 1wic s VAL 121 CO 0.57 -0.10 1.13 -2.16 -3.33 0.00 0.00 175.10 171.20 1wic s PRO 122 N 3.56 1.42 0.00 1.54 0.04 -1.26 -4.71 135.00 135.59 1wic s PRO 122 Ca 0.61 0.39 0.24 0.00 0.04 0.00 0.00 61.00 62.28 1wic s PRO 122 Cb -0.26 -1.86 1.45 0.00 0.04 0.00 0.00 34.50 33.87 1wic s PRO 122 CO 0.20 -2.03 1.89 2.89 0.04 0.00 0.00 177.00 179.99 1wic n ARG 123 N -3.67 0.92 -0.00 4.56 -4.01 -1.26 -2.11 116.66 111.09 1wic n ARG 123 Ca 0.07 0.00 0.09 0.00 -1.04 0.00 0.00 57.85 56.96 1wic n ARG 123 Cb 0.58 -1.41 -0.11 0.00 -3.04 0.00 0.00 32.46 28.48 1wic n ARG 123 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1wic n ASN 124 N -0.91 0.87 -0.05 2.89 2.85 -1.26 -4.29 115.26 115.36 1wic n ASN 124 Ca 0.18 -0.92 -0.02 0.00 -0.11 0.00 0.00 54.58 53.71 1wic n ASN 124 Cb 0.08 1.01 -0.11 0.00 1.24 0.00 0.00 39.78 42.01 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 -1.45 1.36 -3.40 1.20 4.76 -0.95 -4.95 118.16 114.72 1wic n LYS 125 Ca 0.03 -0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.05 1wic n LYS 125 Cb 0.29 -1.35 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.55 5.03 0.30 -0.18 0.11 -0.90 -4.58 120.40 117.64 1wic s VAL 126 Ca -0.06 0.93 -0.27 0.00 -2.93 0.00 0.00 61.98 59.65 1wic s VAL 126 Cb 0.06 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 31.04 1wic s VAL 126 CO 0.57 0.49 0.94 -0.32 -3.33 0.00 0.00 175.10 173.46 1wic s MET 127 N -0.53 4.66 -0.18 1.54 1.75 0.65 -4.82 119.30 122.37 1wic s MET 127 Ca 0.25 1.37 0.01 0.00 -1.25 0.00 0.00 55.69 56.07 1wic s MET 127 Cb -0.17 -2.93 0.03 0.00 2.84 0.00 0.00 34.83 34.61 1wic s MET 127 CO 0.13 0.35 -0.13 -1.21 -0.65 0.00 0.00 175.02 173.51 1wic s GLU 128 N -1.81 2.24 -0.04 4.11 2.02 -1.26 -0.54 118.70 123.42 1wic s GLU 128 Ca 0.48 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1wic s GLU 128 Cb -0.21 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1wic s GLU 128 CO 0.26 -0.35 -0.17 -1.58 0.02 0.00 0.00 175.26 173.45 1wic s HIS 129 N 1.40 2.63 -0.18 1.61 2.46 0.11 -4.94 115.29 118.38 1wic s HIS 129 Ca 0.01 -0.21 -0.00 0.00 0.47 0.00 0.00 55.06 55.32 1wic s HIS 129 Cb -0.15 -1.60 0.01 0.00 -0.13 0.00 0.00 32.58 30.71 1wic s HIS 129 CO -0.09 0.15 -0.15 1.03 -2.47 0.00 0.00 174.74 173.20 1wic s ARG 130 N -0.72 3.16 0.12 2.88 3.00 -1.26 0.16 118.95 126.29 1wic s ARG 130 Ca 0.11 -0.76 -0.10 0.00 0.00 0.00 0.00 55.73 54.99 1wic s ARG 130 Cb -0.10 -2.68 -0.06 0.00 0.00 0.00 0.00 34.95 32.10 1wic s ARG 130 CO 0.00 -0.11 0.44 -0.51 0.00 0.00 0.00 175.30 175.12 1wic s LEU 131 N 1.13 4.31 -0.02 2.53 2.01 0.56 -4.76 118.68 124.44 1wic s LEU 131 Ca 0.01 0.82 0.04 0.00 0.01 0.00 0.00 54.13 55.01 1wic s LEU 131 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 46.19 42.88 1wic s LEU 131 CO -0.05 0.11 -0.15 0.00 1.01 0.00 0.00 176.35 177.27 1wic s ARG 132 N -2.16 1.33 0.61 1.70 1.70 -1.26 -2.13 118.95 118.74 1wic s ARG 132 Ca 0.37 -0.51 -0.15 0.00 -0.47 0.00 0.00 55.73 54.96 1wic s ARG 132 Cb -0.13 -1.23 -0.03 0.00 -0.57 0.00 0.00 34.95 32.99 1wic s ARG 132 CO 0.20 0.26 1.06 0.00 -1.08 0.00 0.00 175.30 175.74 1wic n HIS 134 N -2.15 4.08 -3.54 0.00 -0.00 -0.64 -4.64 115.22 108.33 1wic n HIS 134 Ca 0.09 -3.88 0.00 0.00 0.46 0.00 0.00 57.72 54.39 1wic n HIS 134 Cb 0.53 -1.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.20 1wic n HIS 134 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1wic n THR 135 N 2.07 0.00 -1.57 3.57 5.66 -1.26 -4.99 114.28 117.76 1wic n THR 135 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1wic n THR 135 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1wic n THR 135 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1wic n VAL 136 N 0.00 -7.22 -3.21 1.08 0.31 -1.26 -5.08 118.33 102.94 1wic n VAL 136 Ca 0.00 2.32 0.04 0.00 -0.01 0.00 0.00 64.34 66.69 1wic n VAL 136 Cb 0.00 -3.65 -0.03 0.00 -0.91 0.00 0.00 33.84 29.24 1wic n VAL 136 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1wic s GLU 137 N -2.00 0.09 0.28 5.55 -1.05 -1.26 -5.04 118.70 115.27 1wic s GLU 137 Ca 0.00 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1wic s GLU 137 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1wic s GLU 137 CO 0.00 -0.05 0.00 0.43 0.95 0.00 0.00 175.26 176.59 1wic n SER 138 N 4.85 -5.93 -2.40 0.83 7.64 -1.26 -5.01 113.62 112.34 1wic n SER 138 Ca -0.07 0.55 -0.04 0.00 1.01 0.00 0.00 58.87 60.32 1wic n SER 138 Cb 0.55 -3.11 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 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 -3.49 -6.10 -4.90 6.43 2.88 -1.26 -5.06 113.62 102.12 1wic n SER 139 Ca -0.01 0.55 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1wic n SER 139 Cb 0.46 -4.01 -0.03 0.00 -0.75 0.00 0.00 64.21 59.88 1wic n SER 139 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wic s LYS 140 N -1.82 2.84 -0.06 -1.46 2.47 -1.26 -5.07 119.74 115.38 1wic s LYS 140 Ca 0.12 -1.22 -0.09 0.00 -1.56 0.00 0.00 55.97 53.22 1wic s LYS 140 Cb -0.03 -2.58 -0.05 0.00 -1.46 0.00 0.00 37.83 33.71 1wic s LYS 140 CO 0.53 0.07 0.39 -1.00 0.16 0.00 0.00 175.35 175.50 1wic h PRO 141 N 1.12 -0.32 -0.37 4.03 0.13 -1.97 -3.48 132.00 131.14 1wic h PRO 141 Ca -0.45 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 64.94 1wic h PRO 141 Cb 1.26 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1wic h PRO 141 CO 0.56 -0.21 0.53 1.21 -0.23 0.00 0.00 178.00 179.86 1wic s ASN 142 N -5.06 -0.14 -0.07 1.44 2.47 -1.26 -5.06 114.94 107.26 1wic s ASN 142 Ca -0.05 0.19 -0.06 0.00 0.42 0.00 0.00 52.86 53.37 1wic s ASN 142 Cb 0.00 1.14 0.01 0.00 -1.45 0.00 0.00 41.25 40.95 1wic s ASN 142 CO 0.14 -0.03 0.09 -1.20 -3.72 0.00 0.00 177.10 172.39 1wic n SER 143 N 4.40 -6.45 -3.71 -4.21 7.64 -1.26 -5.00 113.62 105.02 1wic n SER 143 Ca -0.08 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 1wic n SER 143 Cb 0.55 -1.68 -0.10 0.00 -1.01 0.00 0.00 64.21 61.97 1wic n SER 143 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wic s LEU 144 N -1.22 0.18 0.85 -3.43 2.96 -1.26 -5.17 118.68 111.59 1wic s LEU 144 Ca 0.05 0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 54.70 1wic s LEU 144 Cb -0.01 1.39 0.11 0.00 0.50 0.00 0.00 46.19 48.18 1wic s LEU 144 CO 0.14 -0.17 1.19 -0.32 -1.32 0.00 0.00 176.35 175.87 1wic s MET 145 N 0.77 1.62 0.00 1.98 1.75 -1.26 -5.05 119.30 119.11 1wic s MET 145 Ca -0.04 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1wic s MET 145 Cb -0.05 -1.91 0.00 0.00 2.84 0.00 0.00 34.83 35.70 1wic s MET 145 CO -0.06 -1.83 0.00 -0.11 -0.65 0.00 0.00 175.02 172.37 1wic n LEU 146 N -3.47 0.00 0.21 4.11 7.94 -1.26 -5.05 117.00 119.48 1wic n LEU 146 Ca 0.09 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.83 1wic n LEU 146 Cb 0.60 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.47 1wic n LEU 146 CO 0.55 0.00 0.59 -1.28 -1.11 0.00 0.00 177.39 176.14 1wic h SER 147 N 0.00 -1.17 -4.21 1.96 0.87 -2.03 -3.49 113.55 105.48 1wic h SER 147 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1wic h SER 147 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1wic h SER 147 CO 0.00 -0.54 0.00 0.61 -0.53 0.00 0.00 176.83 176.37 1wic n GLY 148 N -1.49 -1.65 3.76 5.77 0.00 -1.26 -4.94 105.19 105.37 1wic n GLY 148 Ca -0.10 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.25 4.66 -0.33 1.61 0.04 -1.26 -5.03 135.00 131.44 1wic s PRO 149 Ca 0.00 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1wic s PRO 149 Cb 0.00 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.43 1wic s PRO 149 CO 0.00 0.23 0.06 -1.12 0.04 0.00 0.00 177.00 176.21 1wic s SER 150 N -0.83 4.61 0.10 6.66 0.01 -1.26 -5.09 113.70 117.90 1wic s SER 150 Ca 0.45 -2.04 -0.31 0.00 1.31 0.00 0.00 55.95 55.35 1wic s SER 150 Cb -0.31 -1.46 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 1wic s SER 150 CO 0.39 -0.39 1.45 -0.55 0.41 0.00 0.00 173.24 174.56 1wic s SER 151 N 1.06 6.77 0.00 2.44 0.15 -1.26 -5.22 113.70 117.63 1wic s SER 151 Ca 0.11 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1wic s SER 151 Cb -0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1wic s SER 151 CO -0.12 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.22