#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 -0.18 0.13 1.61 0.15 -1.26 -5.06 113.70 109.10 1wic s SER 2 Ca 0.00 0.20 -0.32 0.00 0.70 0.00 0.00 55.95 56.53 1wic s SER 2 Cb 0.00 1.18 -0.09 0.00 -1.71 0.00 0.00 66.02 65.40 1wic s SER 2 CO 0.00 -0.03 1.56 0.77 1.20 0.00 0.00 173.24 176.73 1wic h SER 3 N 7.41 -1.68 -4.61 5.45 4.64 -2.07 -3.48 113.55 119.20 1wic h SER 3 Ca -0.13 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1wic h SER 3 Cb 1.14 0.68 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1wic h SER 3 CO -0.02 -0.44 0.00 0.61 -0.87 0.00 0.00 176.83 176.12 1wic n GLY 4 N -1.41 0.31 3.84 -0.77 0.00 -1.26 -5.01 105.19 100.88 1wic n GLY 4 Ca -0.04 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1wic n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wic s SER 5 N -1.34 6.14 -0.41 1.61 0.15 -1.26 -4.88 113.70 113.70 1wic s SER 5 Ca 0.00 1.60 -0.39 0.00 0.70 0.00 0.00 55.95 57.86 1wic s SER 5 Cb 0.00 -2.50 -0.15 0.00 -1.71 0.00 0.00 66.02 61.66 1wic s SER 5 CO 0.00 -0.92 2.16 -1.20 1.20 0.00 0.00 173.24 174.48 1wic n SER 6 N -2.21 1.53 -3.15 5.45 7.64 -1.26 -4.82 113.62 116.81 1wic n SER 6 Ca 0.07 0.53 0.06 0.00 1.01 0.00 0.00 58.87 60.55 1wic n SER 6 Cb 0.54 -1.10 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 1wic n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wic s GLY 7 N 6.70 -0.42 0.00 0.23 0.00 -1.26 -5.18 107.32 107.40 1wic s GLY 7 Ca 1.14 2.84 0.00 0.00 0.00 0.00 0.00 44.72 48.70 1wic s GLY 7 CO 0.57 4.12 0.00 1.17 0.00 0.00 0.00 173.10 178.96 1wic n LYS 8 N 5.26 0.00 -2.09 2.90 4.81 -1.26 -5.14 118.16 122.63 1wic n LYS 8 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1wic n LYS 8 Cb 0.57 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.62 1wic n LYS 8 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wic s LYS 9 N 0.65 3.57 -0.68 1.64 -0.14 -1.26 -4.96 119.74 118.58 1wic s LYS 9 Ca 0.00 0.99 -0.27 0.00 -1.36 0.00 0.00 55.97 55.33 1wic s LYS 9 Cb 0.00 -2.08 0.01 0.00 -1.68 0.00 0.00 37.83 34.08 1wic s LYS 9 CO 0.00 -0.59 1.56 -1.25 -0.76 0.00 0.00 175.35 174.32 1wic s PRO 10 N -4.39 2.92 0.90 -1.68 0.04 -1.26 -4.98 135.00 126.54 1wic s PRO 10 Ca 0.59 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 1wic s PRO 10 Cb -0.12 -4.28 0.08 0.00 0.04 0.00 0.00 34.50 30.22 1wic s PRO 10 CO 0.40 -2.43 0.82 -0.11 0.04 0.00 0.00 177.00 175.72 1wic n LEU 11 N 11.02 1.93 -3.97 -3.56 -0.00 -1.26 -5.03 117.00 116.14 1wic n LEU 11 Ca 0.12 0.43 -0.14 0.00 -0.00 0.00 0.00 56.01 56.41 1wic n LEU 11 Cb 0.50 -1.36 -0.14 0.00 -0.00 0.00 0.00 43.42 42.43 1wic n LEU 11 CO 0.71 -2.73 -0.39 -0.44 -0.00 0.00 0.00 177.39 174.53 1wic s SER 12 N -2.22 0.55 -0.10 1.96 0.01 -1.26 -5.08 113.70 107.57 1wic s SER 12 Ca 0.64 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.72 1wic s SER 12 Cb -0.24 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 65.98 1wic s SER 12 CO 0.60 -0.02 -0.12 -0.69 0.41 0.00 0.00 173.24 173.42 1wic s VAL 13 N -0.42 1.26 -0.80 3.43 1.01 -1.26 -0.78 120.40 122.84 1wic s VAL 13 Ca -0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1wic s VAL 13 Cb -0.04 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1wic s VAL 13 CO -0.00 0.39 1.69 0.12 0.00 0.00 0.00 175.10 177.31 1wic s PHE 14 N 1.06 1.99 -1.11 5.22 5.36 -0.78 -4.79 117.98 124.93 1wic s PHE 14 Ca -0.06 0.27 -0.25 0.00 -0.96 0.00 0.00 56.93 55.93 1wic s PHE 14 Cb -0.15 -4.30 -0.16 0.00 -0.34 0.00 0.00 43.02 38.07 1wic s PHE 14 CO -0.02 -2.03 2.00 1.63 -1.46 0.00 0.00 175.22 175.35 1wic n LYS 15 N 9.08 0.93 -0.73 10.12 4.01 -1.26 -2.29 118.16 138.01 1wic n LYS 15 Ca 0.25 -2.10 -0.31 0.00 -0.51 0.00 0.00 58.31 55.64 1wic n LYS 15 Cb 0.50 -3.78 0.17 0.00 -0.51 0.00 0.00 35.03 31.41 1wic n LYS 15 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1wic s GLY 16 N 7.33 1.67 0.41 0.72 0.00 -1.25 -4.91 107.32 111.28 1wic s GLY 16 Ca 0.74 0.45 0.27 0.00 0.00 0.00 0.00 44.72 46.18 1wic s GLY 16 CO 0.16 0.90 1.78 -0.56 0.00 0.00 0.00 173.10 175.39 1wic h PRO 17 N -1.91 0.00 0.00 2.90 0.13 -1.92 -3.41 132.00 127.79 1wic h PRO 17 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wic h PRO 17 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wic h PRO 17 CO 0.44 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 1wic n LEU 18 N -2.81 0.05 -4.48 1.56 4.77 -1.26 -4.92 117.00 109.92 1wic n LEU 18 Ca 0.03 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 1wic n LEU 18 Cb 0.39 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 1wic n LEU 18 CO 0.29 -0.53 -0.31 -0.22 -1.33 0.00 0.00 177.39 175.29 1wic s LEU 19 N -5.19 3.37 -0.17 2.23 1.98 -1.26 -0.09 118.68 119.54 1wic s LEU 19 Ca 0.00 -0.15 -0.24 0.00 -2.89 0.00 0.00 54.13 50.85 1wic s LEU 19 Cb 0.00 -1.86 -0.02 0.00 0.66 0.00 0.00 46.19 44.98 1wic s LEU 19 CO 0.00 0.08 0.77 -1.00 -1.89 0.00 0.00 176.35 174.31 1wic s HIS 20 N 0.92 3.41 0.33 5.38 3.76 -0.93 -3.92 115.29 124.24 1wic s HIS 20 Ca 0.02 1.17 0.02 0.00 -0.15 0.00 0.00 55.06 56.11 1wic s HIS 20 Cb -0.14 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.57 1wic s HIS 20 CO 0.02 -0.21 0.51 0.42 -0.85 0.00 0.00 174.74 174.63 1wic s ILE 21 N 2.02 5.03 -0.25 0.60 1.01 -0.97 -0.45 121.20 128.18 1wic s ILE 21 Ca 0.36 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1wic s ILE 21 Cb -0.16 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.57 1wic s ILE 21 CO 0.12 -0.47 0.61 -0.55 0.00 0.00 0.00 174.94 174.65 1wic s SER 22 N -4.04 -0.84 0.40 3.58 0.15 -0.08 -1.87 113.70 111.01 1wic s SER 22 Ca 0.39 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1wic s SER 22 Cb -0.09 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1wic s SER 22 CO 0.34 -0.23 0.00 -0.81 1.20 0.00 0.00 173.24 173.75 1wic n PRO 23 N 4.44 0.39 0.00 5.44 -0.04 -1.26 -0.76 135.00 143.21 1wic n PRO 23 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1wic n PRO 23 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -3.15 0.55 0.00 0.04 -4.37 120.51 110.58 1wic n ALA 24 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1wic n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1wic n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 25 N 0.00 1.68 -3.15 0.00 1.02 -1.26 -4.71 120.64 114.21 1wic n GLU 25 Ca 0.00 -3.87 0.04 0.00 -0.02 0.00 0.00 57.16 53.31 1wic n GLU 25 Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wic s GLU 26 N -2.48 0.50 -0.28 3.49 4.04 -1.17 -4.14 118.70 118.66 1wic s GLU 26 Ca 0.41 0.61 -0.12 0.00 0.04 0.00 0.00 54.97 55.92 1wic s GLU 26 Cb 0.28 0.30 -0.05 0.00 0.02 0.00 0.00 34.13 34.69 1wic s GLU 26 CO -0.09 -0.83 0.22 -1.17 -1.84 0.00 0.00 175.26 171.54 1wic s LEU 27 N 2.86 4.06 -0.48 1.83 2.96 0.53 -4.71 118.68 125.73 1wic s LEU 27 Ca 0.14 -0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1wic s LEU 27 Cb -0.10 -2.16 0.12 0.00 0.50 0.00 0.00 46.19 44.55 1wic s LEU 27 CO -0.24 -0.08 0.33 -0.31 -1.32 0.00 0.00 176.35 174.72 1wic s TYR 28 N 1.80 3.49 -0.92 5.38 2.02 -1.26 0.31 117.35 128.16 1wic s TYR 28 Ca 0.08 -2.12 -0.21 0.00 -0.37 0.00 0.00 57.07 54.44 1wic s TYR 28 Cb -0.16 -3.40 0.09 0.00 -0.40 0.00 0.00 41.96 38.08 1wic s TYR 28 CO 0.11 -0.97 1.25 -0.06 -1.57 0.00 0.00 175.55 174.30 1wic s PHE 29 N 1.12 2.78 0.00 2.71 0.40 -1.26 -4.70 117.98 119.04 1wic s PHE 29 Ca 0.08 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 1wic s PHE 29 Cb -0.24 -4.47 0.00 0.00 0.51 0.00 0.00 43.02 38.82 1wic s PHE 29 CO -0.02 -1.73 0.00 0.41 0.70 0.00 0.00 175.22 174.58 1wic n GLY 30 N 6.03 0.03 3.75 4.36 0.00 -1.26 -4.79 105.19 113.31 1wic n GLY 30 Ca 0.23 0.74 -0.24 0.00 0.00 0.00 0.00 46.02 46.76 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 5.16 0.49 1.61 0.01 -1.26 -4.95 113.70 114.76 1wic s SER 31 Ca 0.00 -0.35 0.22 0.00 1.31 0.00 0.00 55.95 57.13 1wic s SER 31 Cb 0.00 -1.21 1.27 0.00 0.21 0.00 0.00 66.02 66.29 1wic s SER 31 CO 0.00 0.01 2.04 -0.29 0.41 0.00 0.00 173.24 175.41 1wic h ILE 32 N 1.84 0.81 -4.22 1.44 2.10 -2.00 -3.43 117.51 114.04 1wic h ILE 32 Ca -0.47 -0.58 -0.51 0.00 1.08 0.00 0.00 64.86 64.38 1wic h ILE 32 Cb 1.23 1.34 0.11 0.00 -1.09 0.00 0.00 36.82 38.41 1wic h ILE 32 CO 0.61 0.15 0.36 -1.61 -1.08 0.00 0.00 178.15 176.58 1wic s GLU 33 N -4.38 2.71 -0.30 2.19 2.02 -1.26 -4.93 118.70 114.75 1wic s GLU 33 Ca -0.03 1.34 0.06 0.00 0.02 0.00 0.00 54.97 56.35 1wic s GLU 33 Cb 0.14 -1.94 0.57 0.00 0.10 0.00 0.00 34.13 33.00 1wic s GLU 33 CO 0.63 -1.31 1.64 0.45 0.02 0.00 0.00 175.26 176.69 1wic n SER 34 N -2.62 3.98 0.00 -0.19 2.88 -1.26 -4.61 113.62 111.80 1wic n SER 34 Ca 0.10 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1wic n SER 34 Cb 0.52 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.36 1.28 3.16 0.46 0.00 -1.26 -5.06 105.19 103.41 1wic n GLY 35 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 0.43 -1.07 1.61 2.02 -1.26 -5.09 118.70 115.35 1wic s GLU 36 Ca 0.00 0.05 -0.21 0.00 0.02 0.00 0.00 54.97 54.83 1wic s GLU 36 Cb 0.00 0.19 0.06 0.00 0.10 0.00 0.00 34.13 34.49 1wic s GLU 36 CO 0.00 -0.09 1.47 0.15 0.02 0.00 0.00 175.26 176.81 1wic s LYS 37 N -0.56 3.67 0.12 1.61 1.02 -1.26 -4.55 119.74 119.79 1wic s LYS 37 Ca -0.07 -1.37 0.09 0.00 0.02 0.00 0.00 55.97 54.64 1wic s LYS 37 Cb -0.04 -5.34 -0.04 0.00 -0.52 0.00 0.00 37.83 31.89 1wic s LYS 37 CO 0.02 -2.17 -0.22 0.21 -0.92 0.00 0.00 175.35 172.27 1wic s LYS 38 N 4.54 1.22 0.27 1.68 2.36 -1.26 -4.48 119.74 124.06 1wic s LYS 38 Ca 0.46 -1.25 0.11 0.00 -2.55 0.00 0.00 55.97 52.73 1wic s LYS 38 Cb 0.00 -1.49 -0.05 0.00 -1.05 0.00 0.00 37.83 35.25 1wic s LYS 38 CO -0.07 0.34 -0.10 -0.08 1.55 0.00 0.00 175.35 176.99 1wic s THR 39 N -1.33 2.98 -0.11 3.43 -1.32 -0.86 -4.55 115.64 113.88 1wic s THR 39 Ca 0.10 -2.15 -0.01 0.00 -1.21 0.00 0.00 61.69 58.42 1wic s THR 39 Cb -0.09 -2.58 0.03 0.00 -1.51 0.00 0.00 72.50 68.35 1wic s THR 39 CO 0.05 -0.38 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.84 1wic s LEU 40 N -3.59 0.94 0.14 9.08 2.96 -1.26 0.12 118.68 127.07 1wic s LEU 40 Ca 0.31 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 1wic s LEU 40 Cb -0.06 -0.62 -0.07 0.00 0.50 0.00 0.00 46.19 45.94 1wic s LEU 40 CO 0.17 -0.19 0.57 -0.63 -1.32 0.00 0.00 176.35 174.95 1wic s ILE 41 N 1.85 4.81 -0.05 6.68 1.01 0.11 -4.78 121.20 130.83 1wic s ILE 41 Ca 0.04 0.94 0.03 0.00 0.00 0.00 0.00 60.65 61.66 1wic s ILE 41 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1wic s ILE 41 CO -0.07 0.30 -0.13 -0.69 0.00 0.00 0.00 174.94 174.35 1wic s VAL 42 N -1.41 3.15 -0.28 2.92 1.01 0.06 0.85 120.40 126.69 1wic s VAL 42 Ca 0.37 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1wic s VAL 42 Cb -0.16 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1wic s VAL 42 CO 0.19 0.59 0.00 -0.76 0.00 0.00 0.00 175.10 175.13 1wic s LEU 43 N -0.74 3.20 -0.67 3.92 1.43 -0.97 -0.90 118.68 123.94 1wic s LEU 43 Ca 0.12 -1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 51.44 1wic s LEU 43 Cb -0.11 -1.27 0.09 0.00 0.03 0.00 0.00 46.19 44.93 1wic s LEU 43 CO 0.01 -0.31 0.90 -0.89 0.23 0.00 0.00 176.35 176.29 1wic s THR 44 N 1.28 4.53 -0.79 5.49 2.01 0.40 -1.39 115.64 127.17 1wic s THR 44 Ca 0.02 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1wic s THR 44 Cb -0.19 -4.63 -0.17 0.00 0.01 0.00 0.00 72.50 67.52 1wic s THR 44 CO -0.10 -1.36 2.55 -3.20 -0.69 0.00 0.00 174.62 171.81 1wic n ASN 45 N 7.13 0.96 -3.79 3.53 2.85 0.11 -2.19 115.26 123.84 1wic n ASN 45 Ca -0.02 0.07 -0.40 0.00 -0.11 0.00 0.00 54.58 54.12 1wic n ASN 45 Cb 0.45 -1.11 -0.00 0.00 1.24 0.00 0.00 39.78 40.36 1wic n ASN 45 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1wic n VAL 46 N 7.52 5.05 -3.88 3.44 0.31 0.87 -3.44 118.33 128.20 1wic n VAL 46 Ca 0.56 -5.85 -0.09 0.00 -0.01 0.00 0.00 64.34 58.95 1wic n VAL 46 Cb 0.16 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1wic n VAL 46 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wic s THR 47 N -3.21 0.00 -0.23 2.52 -4.23 -1.22 -4.16 115.64 105.12 1wic s THR 47 Ca 0.35 -1.11 0.15 0.00 -1.18 0.00 0.00 61.69 59.89 1wic s THR 47 Cb 0.11 -2.48 0.69 0.00 1.34 0.00 0.00 72.50 72.16 1wic s THR 47 CO 0.03 0.00 1.62 0.29 -0.54 0.00 0.00 174.62 176.02 1wic n LYS 48 N -0.49 3.90 -3.50 3.99 4.76 -1.26 -4.45 118.16 121.11 1wic n LYS 48 Ca -0.05 -3.03 -0.12 0.00 -2.87 0.00 0.00 58.31 52.23 1wic n LYS 48 Cb 0.60 -2.08 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1wic s ASN 49 N -1.34 -0.51 0.45 4.39 0.01 -1.26 -4.98 114.94 111.70 1wic s ASN 49 Ca 0.49 0.27 -0.21 0.00 -0.71 0.00 0.00 52.86 52.71 1wic s ASN 49 Cb 0.39 0.47 -0.14 0.00 0.41 0.00 0.00 41.25 42.39 1wic s ASN 49 CO 0.12 -0.67 0.25 -0.38 -1.51 0.00 0.00 177.10 174.91 1wic n ILE 50 N 0.21 1.09 -3.82 0.60 5.41 -1.26 -4.42 119.36 117.17 1wic n ILE 50 Ca -0.14 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 62.87 1wic n ILE 50 Cb 0.61 -0.25 -0.17 0.00 -0.71 0.00 0.00 39.64 39.11 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 -1.68 0.51 -0.20 1.39 1.01 -0.09 0.14 120.40 121.49 1wic s VAL 51 Ca 0.61 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1wic s VAL 51 Cb -0.58 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1wic s VAL 51 CO 0.61 0.28 0.67 0.00 0.00 0.00 0.00 175.10 176.66 1wic s ALA 52 N 1.85 3.55 0.33 5.51 0.00 0.05 -0.59 121.76 132.47 1wic s ALA 52 Ca 0.04 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.86 1wic s ALA 52 Cb -0.12 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1wic s ALA 52 CO -0.05 -0.61 -0.02 -0.59 0.00 0.00 0.00 175.76 174.49 1wic s PHE 53 N 2.03 2.51 -0.06 0.00 -0.71 0.63 -0.69 117.98 121.69 1wic s PHE 53 Ca 0.30 -0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 55.58 1wic s PHE 53 Cb -0.16 -1.43 0.04 0.00 -1.21 0.00 0.00 43.02 40.26 1wic s PHE 53 CO 0.10 0.52 0.41 0.15 -1.34 0.00 0.00 175.22 175.06 1wic s LYS 54 N -3.68 0.68 -0.19 1.99 1.02 -0.68 -2.50 119.74 116.38 1wic s LYS 54 Ca 0.34 0.11 -0.02 0.00 0.02 0.00 0.00 55.97 56.42 1wic s LYS 54 Cb -0.00 0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1wic s LYS 54 CO 0.18 -0.17 -0.10 0.08 -0.92 0.00 0.00 175.35 174.42 1wic s VAL 55 N -0.85 2.98 0.42 3.17 1.01 0.13 0.12 120.40 127.38 1wic s VAL 55 Ca -0.09 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1wic s VAL 55 Cb -0.04 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1wic s VAL 55 CO 0.04 0.47 0.03 -0.13 0.00 0.00 0.00 175.10 175.52 1wic s ARG 56 N 1.19 1.97 -0.10 2.72 0.52 0.43 -4.86 118.95 120.83 1wic s ARG 56 Ca 0.02 -2.17 -0.32 0.00 -0.52 0.00 0.00 55.73 52.73 1wic s ARG 56 Cb -0.14 -1.31 0.12 0.00 0.52 0.00 0.00 34.95 34.14 1wic s ARG 56 CO -0.04 -0.24 1.11 -0.08 0.02 0.00 0.00 175.30 176.07 1wic s THR 57 N -2.95 0.00 -2.00 0.02 -1.32 -1.26 0.54 115.64 108.67 1wic s THR 57 Ca 0.24 -0.06 0.24 0.00 -1.21 0.00 0.00 61.69 60.91 1wic s THR 57 Cb 0.06 -1.15 0.68 0.00 -1.51 0.00 0.00 72.50 70.58 1wic s THR 57 CO 0.12 0.00 1.86 0.35 -2.21 0.00 0.00 174.62 174.74 1wic n THR 58 N -0.20 0.00 -2.90 5.08 -2.24 -0.66 -3.98 114.28 109.39 1wic n THR 58 Ca -0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1wic n THR 58 Cb 0.60 -0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.92 -0.46 1.20 6.98 0.00 -1.26 -4.96 120.51 121.09 1wic n ALA 59 Ca 0.18 -1.78 0.11 0.00 0.00 0.00 0.00 53.44 51.95 1wic n ALA 59 Cb 0.08 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 18.91 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 2.21 0.45 -0.67 0.00 -0.04 -1.26 -2.31 135.00 133.39 1wic n PRO 60 Ca 0.17 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1wic n PRO 60 Cb 0.57 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.20 3.91 0.00 0.54 0.28 -1.26 -4.44 120.64 118.47 1wic n GLU 61 Ca 0.13 -2.99 0.00 0.00 -0.16 0.00 0.00 57.16 54.14 1wic n GLU 61 Cb 0.15 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 30.98 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 0.11 0.00 -3.74 3.44 5.02 -0.98 -4.98 118.16 117.04 1wic n LYS 62 Ca 0.25 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 1wic n LYS 62 Cb 1.04 -0.45 -0.10 0.00 -0.02 0.00 0.00 35.03 35.50 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 -1.71 3.27 -0.76 2.13 2.02 -1.08 0.55 117.35 121.77 1wic s TYR 63 Ca 0.00 0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.60 1wic s TYR 63 Cb 0.00 -2.23 0.09 0.00 -0.40 0.00 0.00 41.96 39.41 1wic s TYR 63 CO 0.00 0.03 1.05 0.50 -1.57 0.00 0.00 175.55 175.56 1wic s ARG 64 N 1.02 3.28 -0.32 -0.62 6.06 0.59 -4.76 118.95 124.20 1wic s ARG 64 Ca 0.06 -1.11 -0.15 0.00 -2.50 0.00 0.00 55.73 52.04 1wic s ARG 64 Cb -0.14 -4.50 -0.02 0.00 0.06 0.00 0.00 34.95 30.36 1wic s ARG 64 CO 0.04 -1.84 0.36 0.14 -2.50 0.00 0.00 175.30 171.50 1wic s VAL 65 N 3.77 5.17 -0.14 7.11 -7.23 -1.26 -2.34 120.40 125.48 1wic s VAL 65 Ca 0.27 0.19 -0.06 0.00 -1.81 0.00 0.00 61.98 60.57 1wic s VAL 65 Cb -0.12 -3.78 0.06 0.00 0.56 0.00 0.00 36.38 33.09 1wic s VAL 65 CO 0.03 -0.02 0.30 -0.75 -0.31 0.00 0.00 175.10 174.35 1wic s LYS 66 N 2.04 0.23 0.68 4.82 2.36 -0.92 -3.34 119.74 125.61 1wic s LYS 66 Ca 0.13 0.71 -0.11 0.00 -2.55 0.00 0.00 55.97 54.15 1wic s LYS 66 Cb -0.16 -0.02 0.00 0.00 -1.05 0.00 0.00 37.83 36.60 1wic s LYS 66 CO 0.11 -0.21 1.06 -1.25 1.55 0.00 0.00 175.35 176.61 1wic s PRO 67 N 1.84 3.01 -0.06 4.03 0.04 -1.25 -1.26 135.00 141.35 1wic s PRO 67 Ca -0.05 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.03 1wic s PRO 67 Cb -0.11 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1wic s PRO 67 CO -0.10 -1.05 0.01 -1.13 0.04 0.00 0.00 177.00 174.78 1wic n SER 68 N -2.96 3.48 -3.70 6.66 3.41 -1.21 -4.74 113.62 114.55 1wic n SER 68 Ca 0.08 -0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.39 1wic n SER 68 Cb 0.53 0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 64.93 1wic n SER 68 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1wic s ASN 69 N -3.83 3.88 0.27 4.04 0.01 -1.26 0.18 114.94 118.23 1wic s ASN 69 Ca -0.04 -1.53 -0.14 0.00 -0.71 0.00 0.00 52.86 50.44 1wic s ASN 69 Cb 0.02 -0.76 0.05 0.00 0.41 0.00 0.00 41.25 40.97 1wic s ASN 69 CO 0.25 -0.41 0.73 -1.20 -1.51 0.00 0.00 177.10 174.95 1wic n SER 70 N 4.93 -1.76 -4.07 -1.22 7.64 -1.04 -5.00 113.62 113.09 1wic n SER 70 Ca -0.03 -2.13 -0.11 0.00 1.01 0.00 0.00 58.87 57.61 1wic n SER 70 Cb 0.42 2.91 -0.11 0.00 -1.01 0.00 0.00 64.21 66.42 1wic n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wic s SER 71 N -2.83 0.76 0.02 6.43 1.04 -1.26 -0.27 113.70 117.60 1wic s SER 71 Ca 0.15 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.99 1wic s SER 71 Cb -0.04 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1wic s SER 71 CO 0.08 -0.31 -0.24 0.00 0.98 0.00 0.00 173.24 173.75 1wic s ASP 73 N -1.10 4.11 -0.06 0.00 1.01 -1.26 -0.91 116.67 118.47 1wic s ASP 73 Ca 0.12 0.95 -0.30 0.00 0.71 0.00 0.00 52.55 54.04 1wic s ASP 73 Cb -0.10 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.26 1wic s ASP 73 CO 0.02 -2.17 1.23 -2.16 0.21 0.00 0.00 175.17 172.29 1wic s PRO 74 N -5.37 4.33 0.00 8.23 0.04 -1.26 -3.24 135.00 137.72 1wic s PRO 74 Ca 0.62 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wic s PRO 74 Cb -0.13 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1wic s PRO 74 CO 0.52 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1wic n GLY 75 N 3.41 0.94 3.31 0.56 0.00 -1.22 -5.00 105.19 107.19 1wic n GLY 75 Ca 0.11 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.61 0.72 -0.02 4.61 0.00 -1.20 -5.02 121.76 118.24 1wic s ALA 76 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1wic s ALA 76 Cb 0.00 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.38 1wic s ALA 76 CO 0.00 -0.66 -0.05 -1.54 0.00 0.00 0.00 175.76 173.51 1wic s SER 77 N -3.11 0.79 0.44 0.00 1.04 -1.26 -0.72 113.70 110.89 1wic s SER 77 Ca 0.33 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.72 1wic s SER 77 Cb 0.05 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 1wic s SER 77 CO 0.10 0.01 0.44 -0.51 0.98 0.00 0.00 173.24 174.26 1wic s ILE 78 N 0.41 2.58 -0.09 -1.02 2.07 -0.49 -4.90 121.20 119.76 1wic s ILE 78 Ca -0.05 -1.28 -0.00 0.00 -1.41 0.00 0.00 60.65 57.91 1wic s ILE 78 Cb -0.09 -2.86 0.02 0.00 0.13 0.00 0.00 42.46 39.67 1wic s ILE 78 CO -0.00 0.00 -0.05 1.51 -1.91 0.00 0.00 174.94 174.49 1wic s ASP 79 N -4.21 1.79 -0.46 4.50 -4.77 -1.26 -2.29 116.67 109.97 1wic s ASP 79 Ca 0.49 -0.21 -0.01 0.00 -3.30 0.00 0.00 52.55 49.53 1wic s ASP 79 Cb -0.04 -0.65 0.12 0.00 -1.09 0.00 0.00 42.92 41.26 1wic s ASP 79 CO 0.29 -0.12 0.23 -0.63 0.70 0.00 0.00 175.17 175.63 1wic s ILE 80 N 1.62 3.08 -0.10 2.11 -1.09 0.25 -3.87 121.20 123.20 1wic s ILE 80 Ca 0.01 -2.48 -0.30 0.00 -2.23 0.00 0.00 60.65 55.66 1wic s ILE 80 Cb -0.13 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1wic s ILE 80 CO -0.05 -0.73 1.30 -0.63 -1.23 0.00 0.00 174.94 173.60 1wic s ILE 81 N 0.64 4.12 -0.41 2.92 1.09 -0.39 0.09 121.20 129.26 1wic s ILE 81 Ca 0.12 1.41 -0.03 0.00 -1.10 0.00 0.00 60.65 61.05 1wic s ILE 81 Cb -0.22 -3.91 0.11 0.00 -1.06 0.00 0.00 42.46 37.38 1wic s ILE 81 CO -0.04 -0.07 0.21 -0.69 -0.10 0.00 0.00 174.94 174.25 1wic s VAL 82 N 2.98 3.28 -0.08 2.92 1.01 0.32 -2.17 120.40 128.66 1wic s VAL 82 Ca 0.58 -2.08 0.04 0.00 0.00 0.00 0.00 61.98 60.52 1wic s VAL 82 Cb -0.25 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wic s VAL 82 CO 0.20 -0.70 -0.20 -0.94 0.00 0.00 0.00 175.10 173.46 1wic s SER 83 N 1.79 3.45 1.05 3.32 1.04 -0.99 -2.03 113.70 121.34 1wic s SER 83 Ca 0.08 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 1wic s SER 83 Cb -0.23 -1.17 0.22 0.00 0.10 0.00 0.00 66.02 64.94 1wic s SER 83 CO -0.04 0.22 1.20 -2.16 0.98 0.00 0.00 173.24 173.44 1wic s PRO 84 N 0.00 -0.00 1.08 4.02 0.04 -1.26 0.22 135.00 139.10 1wic s PRO 84 Ca -0.07 -0.14 -0.15 0.00 0.04 0.00 0.00 61.00 60.69 1wic s PRO 84 Cb -0.15 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.80 1wic s PRO 84 CO 0.05 -2.89 0.55 1.58 0.04 0.00 0.00 177.00 176.33 1wic n HIS 85 N -4.16 -1.08 -1.25 0.56 -0.00 0.19 -4.66 115.22 104.82 1wic n HIS 85 Ca 0.13 0.10 -0.30 0.00 0.46 0.00 0.00 57.72 58.10 1wic n HIS 85 Cb 0.59 -1.71 0.06 0.00 -0.12 0.00 0.00 29.99 28.82 1wic n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wic n GLY 86 N 1.38 5.36 0.62 1.57 0.00 -1.26 -4.23 105.19 108.61 1wic n GLY 86 Ca 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1wic n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wic n GLY 87 N -0.52 -0.01 0.76 -0.02 0.00 -1.26 -5.14 105.19 98.99 1wic n GLY 87 Ca 0.53 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.80 0.00 -4.31 0.99 -0.00 -1.26 -5.13 117.00 105.49 1wic n LEU 88 Ca 0.00 -0.39 -0.16 0.00 -0.00 0.00 0.00 56.01 55.45 1wic n LEU 88 Cb 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 43.42 43.18 1wic n LEU 88 CO 0.00 -0.61 -0.25 0.28 -0.00 0.00 0.00 177.39 176.82 1wic s THR 89 N -0.58 0.48 -0.08 1.47 -1.32 -1.26 -4.67 115.64 109.69 1wic s THR 89 Ca 0.13 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.43 1wic s THR 89 Cb -0.01 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.33 1wic s THR 89 CO 0.09 0.00 0.50 0.54 -2.21 0.00 0.00 174.62 173.54 1wic s VAL 90 N -3.76 5.10 0.39 5.08 0.11 -1.26 -4.97 120.40 121.09 1wic s VAL 90 Ca 0.38 1.02 0.03 0.00 -2.93 0.00 0.00 61.98 60.48 1wic s VAL 90 Cb 0.07 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1wic s VAL 90 CO 0.14 0.37 0.10 -0.55 -3.33 0.00 0.00 175.10 171.83 1wic s SER 91 N 0.24 2.75 -0.35 3.54 0.15 -1.26 -4.92 113.70 113.86 1wic s SER 91 Ca 0.27 -1.58 -0.01 0.00 0.70 0.00 0.00 55.95 55.33 1wic s SER 91 Cb -0.16 0.32 0.25 0.00 -1.71 0.00 0.00 66.02 64.72 1wic s SER 91 CO 0.12 -0.82 1.98 0.00 1.20 0.00 0.00 173.24 175.72 1wic n ALA 92 N -0.87 5.17 -0.03 5.45 0.00 -1.26 -3.75 120.51 125.23 1wic n ALA 92 Ca -0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 53.44 51.53 1wic n ALA 92 Cb 0.66 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 0.15 2.00 -2.87 0.00 1.13 -1.26 -5.03 117.38 111.50 1wic n GLN 93 Ca 0.34 -0.03 -0.19 0.00 -1.94 0.00 0.00 57.00 55.18 1wic n GLN 93 Cb 0.63 -1.19 0.04 0.00 0.11 0.00 0.00 30.24 29.83 1wic n GLN 93 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wic s ASP 94 N -3.60 5.31 -0.09 1.08 -4.77 -1.25 -5.08 116.67 108.27 1wic s ASP 94 Ca -0.03 -0.39 -0.13 0.00 -3.30 0.00 0.00 52.55 48.69 1wic s ASP 94 Cb 0.03 -0.46 0.03 0.00 -1.09 0.00 0.00 42.92 41.43 1wic s ASP 94 CO 0.31 -1.10 0.34 -0.60 0.70 0.00 0.00 175.17 174.83 1wic s ARG 95 N -4.61 0.50 0.16 2.11 6.06 -1.26 -4.79 118.95 117.12 1wic s ARG 95 Ca 0.58 0.26 0.05 0.00 -2.50 0.00 0.00 55.73 54.12 1wic s ARG 95 Cb -0.09 0.23 -0.04 0.00 0.06 0.00 0.00 34.95 35.12 1wic s ARG 95 CO 0.37 -0.10 0.14 -0.06 -2.50 0.00 0.00 175.30 173.15 1wic s PHE 96 N -0.34 3.16 -0.00 5.12 0.08 -0.75 -1.65 117.98 123.60 1wic s PHE 96 Ca -0.05 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1wic s PHE 96 Cb -0.03 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1wic s PHE 96 CO 0.02 0.52 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.46 1wic s LEU 97 N -3.04 2.00 -0.05 -0.37 1.98 0.19 -0.07 118.68 119.31 1wic s LEU 97 Ca 0.31 -0.05 0.03 0.00 -2.89 0.00 0.00 54.13 51.52 1wic s LEU 97 Cb -0.10 -0.16 0.01 0.00 0.66 0.00 0.00 46.19 46.60 1wic s LEU 97 CO 0.23 0.04 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.96 1wic s ILE 98 N -0.07 1.22 0.19 6.68 1.01 0.23 0.16 121.20 130.62 1wic s ILE 98 Ca 0.01 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1wic s ILE 98 Cb -0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1wic s ILE 98 CO -0.00 0.37 0.02 -0.04 0.00 0.00 0.00 174.94 175.29 1wic s MET 99 N 0.38 2.45 -0.30 2.79 -1.94 0.32 -0.43 119.30 122.58 1wic s MET 99 Ca -0.10 -1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 52.66 1wic s MET 99 Cb -0.13 -2.36 0.15 0.00 2.01 0.00 0.00 34.83 34.50 1wic s MET 99 CO 0.03 0.44 0.73 0.00 -0.01 0.00 0.00 175.02 176.21 1wic s ALA 100 N -1.84 -2.29 -0.04 3.03 0.00 -0.39 -1.69 121.76 118.54 1wic s ALA 100 Ca 0.29 2.14 0.03 0.00 0.00 0.00 0.00 51.96 54.41 1wic s ALA 100 Cb -0.09 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1wic s ALA 100 CO 0.19 -1.05 -0.12 0.00 0.00 0.00 0.00 175.76 174.79 1wic s ALA 101 N 2.81 1.14 0.08 0.00 0.00 0.13 0.20 121.76 126.12 1wic s ALA 101 Ca 0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 1wic s ALA 101 Cb -0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.49 1wic s ALA 101 CO -0.19 0.16 1.36 -2.00 0.00 0.00 0.00 175.76 175.09 1wic s GLU 102 N 0.33 4.33 0.51 0.00 2.12 -1.26 -0.77 118.70 123.96 1wic s GLU 102 Ca -0.07 2.00 0.05 0.00 0.36 0.00 0.00 54.97 57.31 1wic s GLU 102 Cb -0.12 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1wic s GLU 102 CO 0.02 -0.43 0.70 -1.64 -0.54 0.00 0.00 175.26 173.37 1wic s MET 103 N 1.37 2.57 0.10 4.30 -1.94 0.37 -4.92 119.30 121.15 1wic s MET 103 Ca 0.63 -1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 53.47 1wic s MET 103 Cb -0.34 -2.62 0.02 0.00 2.01 0.00 0.00 34.83 33.90 1wic s MET 103 CO 0.29 -0.60 0.11 0.39 -0.01 0.00 0.00 175.02 175.20 1wic n GLU 104 N -2.15 -0.65 0.00 2.03 -0.58 -1.26 -4.37 120.64 113.65 1wic n GLU 104 Ca 0.10 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1wic n GLU 104 Cb 0.60 -0.13 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 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 -1.52 0.00 -3.09 3.49 6.02 -1.26 -4.22 117.38 116.79 1wic n GLN 105 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1wic n GLN 105 Cb 0.05 -0.23 -0.06 0.00 1.02 0.00 0.00 30.24 31.02 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wic s SER 106 N -2.55 6.28 -0.09 1.08 0.01 -1.26 -4.55 113.70 112.62 1wic s SER 106 Ca 0.00 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1wic s SER 106 Cb 0.00 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.92 1wic s SER 106 CO 0.00 -0.90 -0.12 -0.44 0.41 0.00 0.00 173.24 172.19 1wic s SER 107 N 2.44 2.07 0.20 2.44 0.01 -1.26 -5.11 113.70 114.49 1wic s SER 107 Ca 0.20 -0.34 -0.32 0.00 1.31 0.00 0.00 55.95 56.81 1wic s SER 107 Cb -0.16 -0.90 -0.12 0.00 0.21 0.00 0.00 66.02 65.05 1wic s SER 107 CO 0.16 -0.02 1.70 -0.83 0.41 0.00 0.00 173.24 174.66 1wic s GLY 108 N 1.05 1.27 -0.95 3.44 0.00 -1.26 -4.90 107.32 105.96 1wic s GLY 108 Ca -0.07 1.55 -0.02 0.00 0.00 0.00 0.00 44.72 46.19 1wic s GLY 108 CO -0.01 2.84 2.02 -1.30 0.00 0.00 0.00 173.10 176.64 1wic n THR 109 N 3.98 4.98 -3.75 0.90 -2.24 -1.26 -4.23 114.28 112.67 1wic n THR 109 Ca 0.16 -5.05 -0.15 0.00 -2.27 0.00 0.00 64.05 56.74 1wic n THR 109 Cb 0.36 -1.49 -0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.00 2.92 0.14 3.38 0.00 -1.26 -4.86 105.19 105.51 1wic n GLY 110 Ca 0.51 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.94 -2.89 132.00 128.91 1wic h PRO 111 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1wic h PRO 111 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wic h PRO 111 CO 0.31 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.08 1wic n ALA 112 N -1.84 0.00 -0.30 -0.56 0.00 -1.26 -3.21 120.51 113.34 1wic n ALA 112 Ca 0.04 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1wic n ALA 112 Cb 0.35 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.24 -0.07 0.19 0.00 -0.58 -1.26 -0.30 120.64 116.38 1wic n GLU 113 Ca 0.00 1.28 -0.08 0.00 -0.42 0.00 0.00 57.16 57.94 1wic n GLU 113 Cb 0.00 -2.02 -0.04 0.00 -0.57 0.00 0.00 31.44 28.81 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 -0.42 -1.00 -4.62 3.38 -1.68 0.61 115.31 111.59 1wic h LEU 114 Ca 0.51 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.88 1wic h LEU 114 Cb 1.02 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1wic h LEU 114 CO -0.81 -0.28 0.57 -0.24 0.09 0.00 0.00 178.44 177.77 1wic n SER 115 N -3.44 0.29 0.01 -0.43 2.88 0.59 0.18 113.62 113.69 1wic n SER 115 Ca -0.06 1.44 -0.11 0.00 -1.33 0.00 0.00 58.87 58.81 1wic n SER 115 Cb 0.20 -0.71 -0.09 0.00 -0.75 0.00 0.00 64.21 62.86 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 -0.11 -0.10 -1.46 1.08 -0.39 -2.35 115.11 111.79 1wic h GLN 116 Ca 0.78 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 58.01 1wic h GLN 116 Cb 2.18 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.63 1wic h GLN 116 CO -0.63 0.43 0.09 0.35 -0.95 0.00 0.00 178.83 178.12 1wic h PHE 117 N -0.85 0.00 0.00 2.96 3.57 0.64 0.80 116.94 124.05 1wic h PHE 117 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wic h PHE 117 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1wic h PHE 117 CO 0.13 0.00 -0.21 0.91 -2.23 0.00 0.00 178.31 176.91 1wic n TRP 118 N -4.11 0.74 0.05 0.41 7.02 0.46 -0.26 117.44 121.74 1wic n TRP 118 Ca -0.01 0.22 0.11 0.00 -1.02 0.00 0.00 57.50 56.79 1wic n TRP 118 Cb 0.20 -0.81 -0.08 0.00 -2.42 0.00 0.00 31.31 28.19 1wic n TRP 118 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1wic n LYS 119 N -2.15 0.63 -0.10 -0.99 0.00 0.24 -4.35 118.16 111.45 1wic n LYS 119 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 58.31 58.12 1wic n LYS 119 Cb 0.43 -1.68 -0.12 0.00 0.00 0.00 0.00 35.03 33.65 1wic n LYS 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wic n GLU 120 N -2.50 0.65 -2.17 1.64 1.02 0.68 -4.88 120.64 115.08 1wic n GLU 120 Ca -0.03 0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 1wic n GLU 120 Cb 0.58 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.51 3.84 1.10 2.62 0.11 0.64 -5.00 120.40 121.21 1wic s VAL 121 Ca -0.32 1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.57 1wic s VAL 121 Cb 0.10 -3.66 0.26 0.00 -1.53 0.00 0.00 36.38 31.54 1wic s VAL 121 CO 0.61 -0.09 1.23 -2.16 -3.33 0.00 0.00 175.10 171.36 1wic s PRO 122 N 3.78 -0.45 0.00 1.54 0.04 -1.26 -4.79 135.00 133.87 1wic s PRO 122 Ca 0.66 -0.31 0.28 0.00 0.04 0.00 0.00 61.00 61.67 1wic s PRO 122 Cb -0.29 -1.71 1.36 0.00 0.04 0.00 0.00 34.50 33.90 1wic s PRO 122 CO 0.24 -3.15 1.91 2.89 0.04 0.00 0.00 177.00 178.92 1wic n ARG 123 N -4.31 1.34 -0.00 4.56 0.00 -1.26 -2.28 116.66 114.71 1wic n ARG 123 Ca 0.15 -0.50 0.10 0.00 -0.00 0.00 0.00 57.85 57.60 1wic n ARG 123 Cb 0.59 -1.46 -0.14 0.00 -0.00 0.00 0.00 32.46 31.46 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 -0.37 0.62 -0.07 2.89 5.15 -1.26 -4.29 115.26 117.93 1wic n ASN 124 Ca 0.20 -0.49 -0.04 0.00 -0.60 0.00 0.00 54.58 53.65 1wic n ASN 124 Cb 0.23 1.47 -0.14 0.00 -0.53 0.00 0.00 39.78 40.80 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wic n LYS 125 N -1.84 1.00 -3.52 1.20 4.76 -1.17 -4.93 118.16 113.66 1wic n LYS 125 Ca 0.00 -0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.02 1wic n LYS 125 Cb 0.42 -1.45 -0.06 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 -2.63 5.13 0.45 -0.18 0.11 -0.96 -4.51 120.40 117.80 1wic s VAL 126 Ca -0.08 0.75 -0.19 0.00 -2.93 0.00 0.00 61.98 59.53 1wic s VAL 126 Cb 0.07 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 31.14 1wic s VAL 126 CO 0.74 0.53 0.94 -0.32 -3.33 0.00 0.00 175.10 173.65 1wic s MET 127 N -0.67 4.11 -0.03 1.54 1.75 0.53 -4.79 119.30 121.73 1wic s MET 127 Ca 0.22 1.01 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 1wic s MET 127 Cb -0.16 -2.19 0.03 0.00 2.84 0.00 0.00 34.83 35.35 1wic s MET 127 CO 0.11 -0.09 0.01 -1.21 -0.65 0.00 0.00 175.02 173.19 1wic s GLU 128 N -3.47 0.24 -0.05 4.11 2.02 -1.26 -1.26 118.70 119.03 1wic s GLU 128 Ca 0.60 0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.71 1wic s GLU 128 Cb -0.09 -0.48 0.03 0.00 0.10 0.00 0.00 34.13 33.68 1wic s GLU 128 CO 0.20 -0.17 -0.01 -1.58 0.02 0.00 0.00 175.26 173.72 1wic s HIS 129 N 1.19 0.54 -0.24 1.61 2.46 0.42 -4.96 115.29 116.31 1wic s HIS 129 Ca -0.08 -0.10 -0.13 0.00 0.47 0.00 0.00 55.06 55.23 1wic s HIS 129 Cb -0.13 -0.62 -0.04 0.00 -0.13 0.00 0.00 32.58 31.66 1wic s HIS 129 CO -0.02 -0.22 0.28 1.03 -2.47 0.00 0.00 174.74 173.34 1wic s ARG 130 N 1.39 4.07 0.15 2.88 3.00 -1.26 0.74 118.95 129.93 1wic s ARG 130 Ca -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 55.73 55.57 1wic s ARG 130 Cb -0.13 -3.58 -0.06 0.00 0.00 0.00 0.00 34.95 31.18 1wic s ARG 130 CO -0.02 -0.07 0.39 -0.51 0.00 0.00 0.00 175.30 175.08 1wic s LEU 131 N 1.44 4.26 0.06 2.53 1.43 0.89 -4.79 118.68 124.50 1wic s LEU 131 Ca 0.12 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.89 1wic s LEU 131 Cb -0.15 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1wic s LEU 131 CO 0.07 0.04 -0.21 0.00 0.23 0.00 0.00 176.35 176.49 1wic s ARG 132 N -2.71 1.29 0.19 1.70 1.70 -1.26 -1.81 118.95 118.04 1wic s ARG 132 Ca 0.41 -1.01 -0.20 0.00 -0.47 0.00 0.00 55.73 54.46 1wic s ARG 132 Cb -0.12 -1.45 -0.08 0.00 -0.57 0.00 0.00 34.95 32.73 1wic s ARG 132 CO 0.25 0.36 0.69 0.00 -1.08 0.00 0.00 175.30 175.52 1wic n HIS 134 N 0.99 3.22 -1.12 0.00 8.25 0.15 -4.72 115.22 121.99 1wic n HIS 134 Ca -0.04 -3.23 -0.36 0.00 -0.26 0.00 0.00 57.72 53.83 1wic n HIS 134 Cb 0.51 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.74 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wic n THR 135 N 0.20 0.00 -0.38 1.59 -2.24 -1.26 -4.84 114.28 107.35 1wic n THR 135 Ca 0.36 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 1wic n THR 135 Cb 0.33 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.81 1wic n THR 135 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wic n VAL 136 N -1.59 0.00 -4.39 2.28 0.24 -1.26 -5.04 118.33 108.57 1wic n VAL 136 Ca 0.06 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.93 1wic n VAL 136 Cb 0.46 -0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 1wic n VAL 136 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wic s GLU 137 N -4.46 2.09 0.11 7.34 0.41 -1.26 -5.05 118.70 117.88 1wic s GLU 137 Ca 0.61 -1.99 -0.26 0.00 -0.41 0.00 0.00 54.97 52.93 1wic s GLU 137 Cb -0.14 -1.80 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 1wic s GLU 137 CO 0.55 -0.08 1.43 1.03 -0.49 0.00 0.00 175.26 177.70 1wic h SER 138 N 1.60 -1.50 -1.64 -0.19 0.87 -2.05 -3.39 113.55 107.25 1wic h SER 138 Ca -0.43 0.20 -0.71 0.00 -1.23 0.00 0.00 61.79 59.62 1wic h SER 138 Cb 1.25 0.62 0.03 0.00 -0.44 0.00 0.00 62.40 63.86 1wic h SER 138 CO 0.76 -0.30 0.77 -0.24 -0.53 0.00 0.00 176.83 177.29 1wic n SER 139 N -4.79 2.24 -4.69 6.23 2.88 -1.26 -4.95 113.62 109.28 1wic n SER 139 Ca -0.02 1.08 -0.27 0.00 -1.33 0.00 0.00 58.87 58.33 1wic n SER 139 Cb 0.26 -1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 62.46 1wic n SER 139 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wic s LYS 140 N 2.52 2.51 0.96 -1.46 1.02 -1.26 -5.12 119.74 118.91 1wic s LYS 140 Ca 0.93 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 1wic s LYS 140 Cb -1.00 -2.42 0.17 0.00 -0.52 0.00 0.00 37.83 34.06 1wic s LYS 140 CO 0.58 0.47 1.16 -1.25 -0.92 0.00 0.00 175.35 175.39 1wic s PRO 141 N -2.92 0.75 -0.30 -1.68 0.04 -1.26 -5.09 135.00 124.54 1wic s PRO 141 Ca 0.28 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.40 1wic s PRO 141 Cb -0.10 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1wic s PRO 141 CO 0.19 -2.44 0.62 1.21 0.04 0.00 0.00 177.00 176.63 1wic s ASN 142 N -4.13 -1.19 -0.28 6.66 3.84 -1.26 -5.13 114.94 113.45 1wic s ASN 142 Ca 0.66 1.27 0.00 0.00 0.21 0.00 0.00 52.86 55.00 1wic s ASN 142 Cb -0.12 2.21 0.17 0.00 -0.55 0.00 0.00 41.25 42.95 1wic s ASN 142 CO 0.54 -0.24 0.52 -0.55 -2.79 0.00 0.00 177.10 174.58 1wic s SER 143 N 2.87 -0.83 0.46 -4.21 0.15 -1.26 -5.16 113.70 105.72 1wic s SER 143 Ca 0.05 0.46 0.08 0.00 0.70 0.00 0.00 55.95 57.24 1wic s SER 143 Cb -0.13 1.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.96 1wic s SER 143 CO -0.20 -0.29 0.49 -0.22 1.20 0.00 0.00 173.24 174.23 1wic s LEU 144 N 2.74 3.31 0.01 3.45 2.96 -1.26 -5.02 118.68 124.87 1wic s LEU 144 Ca 0.16 -0.76 -0.25 0.00 -0.22 0.00 0.00 54.13 53.06 1wic s LEU 144 Cb -0.14 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.61 1wic s LEU 144 CO -0.22 -0.85 0.56 -0.32 -1.32 0.00 0.00 176.35 174.20 1wic s MET 145 N -4.29 1.02 0.09 1.98 1.75 -1.26 -4.99 119.30 113.60 1wic s MET 145 Ca 0.50 -0.06 -0.16 0.00 -1.25 0.00 0.00 55.69 54.72 1wic s MET 145 Cb -0.05 0.47 -0.07 0.00 2.84 0.00 0.00 34.83 38.02 1wic s MET 145 CO 0.30 -0.35 0.52 -1.17 -0.65 0.00 0.00 175.02 173.67 1wic s LEU 146 N -1.66 4.42 0.02 4.11 0.20 -1.26 -5.08 118.68 119.43 1wic s LEU 146 Ca -0.08 1.09 0.00 0.00 0.69 0.00 0.00 54.13 55.83 1wic s LEU 146 Cb -0.01 -3.01 -0.02 0.00 -0.43 0.00 0.00 46.19 42.72 1wic s LEU 146 CO 0.03 0.20 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.31 1wic s SER 147 N -1.42 0.33 1.03 3.68 1.04 -1.26 -5.17 113.70 111.93 1wic s SER 147 Ca 0.32 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1wic s SER 147 Cb -0.17 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.11 1wic s SER 147 CO 0.18 -0.26 0.37 0.61 0.98 0.00 0.00 173.24 175.12 1wic n GLY 148 N 1.69 -1.78 3.80 7.32 0.00 -1.26 -5.05 105.19 109.91 1wic n GLY 148 Ca -0.23 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.81 1.73 0.02 1.61 0.04 -1.26 -5.08 135.00 128.25 1wic s PRO 149 Ca 0.22 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.80 1wic s PRO 149 Cb -0.01 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1wic s PRO 149 CO 0.16 -1.84 -0.11 0.45 0.04 0.00 0.00 177.00 175.70 1wic s SER 150 N -3.96 1.34 -0.79 6.66 0.15 -1.26 -5.08 113.70 110.76 1wic s SER 150 Ca 0.62 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.64 1wic s SER 150 Cb -0.14 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1wic s SER 150 CO 0.54 0.02 1.52 -0.44 1.20 0.00 0.00 173.24 176.08 1wic s SER 151 N -0.90 5.92 0.00 5.45 0.01 -1.26 -5.35 113.70 117.57 1wic s SER 151 Ca 0.00 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1wic s SER 151 Cb -0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1wic s SER 151 CO 0.01 -1.99 0.00 0.61 0.41 0.00 0.00 173.24 172.28