#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 0.57 -0.00 1.61 1.04 -1.26 -5.15 113.70 110.51 1wic s SER 2 Ca 0.00 0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1wic s SER 2 Cb 0.00 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 1wic s SER 2 CO 0.00 -0.28 -0.17 -0.55 0.98 0.00 0.00 173.24 173.22 1wic s SER 3 N 2.45 3.85 -0.39 7.02 0.15 -1.26 -5.08 113.70 120.43 1wic s SER 3 Ca 0.06 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1wic s SER 3 Cb -0.14 -0.70 0.16 0.00 -1.71 0.00 0.00 66.02 63.63 1wic s SER 3 CO -0.12 0.30 0.32 -0.83 1.20 0.00 0.00 173.24 174.11 1wic s GLY 4 N -1.08 0.76 -0.02 9.45 0.00 -1.26 -5.01 107.32 110.16 1wic s GLY 4 Ca 0.13 -1.92 -0.06 0.00 0.00 0.00 0.00 44.72 42.87 1wic s GLY 4 CO 0.03 2.29 0.40 0.23 0.00 0.00 0.00 173.10 176.05 1wic h SER 5 N 6.29 -0.18 -5.51 1.64 0.87 -2.09 -3.49 113.55 111.08 1wic h SER 5 Ca 0.15 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1wic h SER 5 Cb 0.96 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1wic h SER 5 CO 0.29 0.04 -0.82 -0.24 -0.53 0.00 0.00 176.83 175.56 1wic n SER 6 N -3.52 -7.53 0.00 6.23 2.88 -1.26 -4.99 113.62 105.42 1wic n SER 6 Ca -0.03 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1wic n SER 6 Cb 0.08 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.05 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 7 N 0.24 4.22 3.01 0.46 0.00 -1.26 -5.14 105.19 106.72 1wic n GLY 7 Ca 0.04 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.91 0.56 0.87 1.61 -2.85 -1.26 -5.13 119.74 109.63 1wic s LYS 8 Ca 0.00 -0.35 -0.15 0.00 -1.00 0.00 0.00 55.97 54.46 1wic s LYS 8 Cb 0.00 -0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 35.21 1wic s LYS 8 CO 0.00 0.13 0.06 0.36 0.10 0.00 0.00 175.35 176.00 1wic n LYS 9 N 2.62 -0.03 -0.67 1.78 0.00 -1.26 -4.97 118.16 115.63 1wic n LYS 9 Ca -0.15 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.05 1wic n LYS 9 Cb 0.57 -1.54 0.10 0.00 -0.00 0.00 0.00 35.03 34.16 1wic n LYS 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wic n PRO 10 N -0.01 -1.27 -3.72 -1.58 -0.04 -1.26 -5.11 135.00 122.01 1wic n PRO 10 Ca 0.05 -0.86 -0.11 0.00 -0.04 0.00 0.00 63.50 62.54 1wic n PRO 10 Cb 0.53 -0.68 -0.06 0.00 -0.04 0.00 0.00 33.50 33.25 1wic n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wic s LEU 11 N 0.00 0.74 -0.04 1.53 0.20 -1.26 -5.16 118.68 114.69 1wic s LEU 11 Ca 0.33 -0.28 0.02 0.00 0.69 0.00 0.00 54.13 54.89 1wic s LEU 11 Cb -0.02 1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 47.23 1wic s LEU 11 CO 0.24 -0.72 -0.08 -0.94 -0.29 0.00 0.00 176.35 174.57 1wic s SER 12 N -2.44 4.58 -0.06 3.68 1.04 -1.26 -5.07 113.70 114.17 1wic s SER 12 Ca -0.01 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 1wic s SER 12 Cb 0.01 -1.10 0.03 0.00 0.10 0.00 0.00 66.02 65.06 1wic s SER 12 CO -0.07 0.33 0.02 -0.69 0.98 0.00 0.00 173.24 173.80 1wic s VAL 13 N -0.88 0.23 -0.80 5.02 1.01 -1.26 -1.99 120.40 121.73 1wic s VAL 13 Ca 0.14 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1wic s VAL 13 Cb -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1wic s VAL 13 CO 0.04 0.23 1.71 0.12 0.00 0.00 0.00 175.10 177.20 1wic s PHE 14 N 1.99 1.97 -0.34 5.22 5.36 -0.14 -4.85 117.98 127.20 1wic s PHE 14 Ca 0.04 0.31 -0.27 0.00 -0.96 0.00 0.00 56.93 56.05 1wic s PHE 14 Cb -0.12 -4.28 -0.05 0.00 -0.34 0.00 0.00 43.02 38.23 1wic s PHE 14 CO -0.04 -2.03 2.16 0.15 -1.46 0.00 0.00 175.22 174.00 1wic s LYS 15 N 6.44 2.87 0.37 10.12 -0.14 -1.26 -1.94 119.74 136.19 1wic s LYS 15 Ca 0.59 1.66 -0.01 0.00 -1.36 0.00 0.00 55.97 56.85 1wic s LYS 15 Cb -0.08 -4.40 -0.03 0.00 -1.68 0.00 0.00 37.83 31.64 1wic s LYS 15 CO 0.08 -2.40 0.59 0.20 -0.76 0.00 0.00 175.35 173.05 1wic s GLY 16 N 8.86 1.40 0.28 -3.33 0.00 -1.26 -4.98 107.32 108.30 1wic s GLY 16 Ca 0.94 -0.81 0.26 0.00 0.00 0.00 0.00 44.72 45.10 1wic s GLY 16 CO 0.32 -0.73 1.76 -0.56 0.00 0.00 0.00 173.10 173.88 1wic h PRO 17 N 0.73 0.00 0.00 2.90 0.13 -2.00 -3.41 132.00 130.34 1wic h PRO 17 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.62 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.67 1wic n LEU 18 N -2.39 0.00 -4.49 1.56 4.77 -1.26 -4.76 117.00 110.43 1wic n LEU 18 Ca 0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.34 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1wic n LEU 18 CO 0.26 -0.32 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.45 1wic s LEU 19 N -3.92 3.31 -0.06 2.23 1.98 -1.26 -2.48 118.68 118.47 1wic s LEU 19 Ca 0.00 -0.14 -0.30 0.00 -2.89 0.00 0.00 54.13 50.80 1wic s LEU 19 Cb 0.00 -1.82 -0.02 0.00 0.66 0.00 0.00 46.19 45.01 1wic s LEU 19 CO 0.00 0.12 1.00 -1.00 -1.89 0.00 0.00 176.35 174.58 1wic s HIS 20 N 0.67 3.57 0.03 5.38 3.76 0.15 -4.04 115.29 124.81 1wic s HIS 20 Ca -0.01 1.64 -0.09 0.00 -0.15 0.00 0.00 55.06 56.45 1wic s HIS 20 Cb -0.14 -3.16 -0.05 0.00 1.11 0.00 0.00 32.58 30.33 1wic s HIS 20 CO 0.02 -0.15 0.34 0.42 -0.85 0.00 0.00 174.74 174.53 1wic s ILE 21 N 1.58 5.18 -0.18 0.60 -1.09 -0.82 -0.51 121.20 125.97 1wic s ILE 21 Ca 0.50 0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 59.22 1wic s ILE 21 Cb -0.20 -3.61 0.06 0.00 -1.58 0.00 0.00 42.46 37.13 1wic s ILE 21 CO 0.22 0.38 0.43 -0.55 -1.23 0.00 0.00 174.94 174.19 1wic s SER 22 N -1.58 -0.54 0.11 3.58 0.15 0.07 -0.96 113.70 114.53 1wic s SER 22 Ca 0.28 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wic s SER 22 Cb -0.14 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wic s SER 22 CO 0.16 -0.19 0.00 -0.81 1.20 0.00 0.00 173.24 173.60 1wic n PRO 23 N 4.13 0.83 0.00 5.44 -0.04 -1.26 0.50 135.00 144.60 1wic n PRO 23 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1wic n PRO 23 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -2.92 0.55 0.00 -0.84 -4.37 120.51 109.92 1wic n ALA 24 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1wic n ALA 24 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 4.43 -3.59 0.00 0.28 -1.26 -4.69 120.64 115.80 1wic n GLU 25 Ca 0.00 -4.65 -0.14 0.00 -0.16 0.00 0.00 57.16 52.21 1wic n GLU 25 Cb 0.00 -2.43 -0.06 0.00 1.43 0.00 0.00 31.44 30.38 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 -3.40 0.80 -0.14 3.44 -1.05 -1.16 -4.50 118.70 112.70 1wic s GLU 26 Ca 0.37 0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 55.70 1wic s GLU 26 Cb 0.14 0.38 0.06 0.00 -0.44 0.00 0.00 34.13 34.28 1wic s GLU 26 CO -0.02 -0.17 0.29 -1.17 0.95 0.00 0.00 175.26 175.14 1wic s LEU 27 N -0.36 -0.22 -0.12 1.83 2.96 0.23 -4.59 118.68 118.41 1wic s LEU 27 Ca -0.03 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1wic s LEU 27 Cb -0.03 0.84 0.01 0.00 0.50 0.00 0.00 46.19 47.51 1wic s LEU 27 CO 0.02 -0.22 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.32 1wic s TYR 28 N 2.19 2.39 -0.48 5.38 2.02 -1.26 -2.10 117.35 125.49 1wic s TYR 28 Ca -0.02 -1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 55.50 1wic s TYR 28 Cb -0.12 -1.65 0.13 0.00 -0.40 0.00 0.00 41.96 39.92 1wic s TYR 28 CO -0.09 -0.52 0.31 -0.06 -1.57 0.00 0.00 175.55 173.61 1wic s PHE 29 N 0.76 3.51 0.33 2.71 0.40 -1.26 -4.06 117.98 120.37 1wic s PHE 29 Ca -0.10 -2.31 0.03 0.00 -0.60 0.00 0.00 56.93 53.95 1wic s PHE 29 Cb -0.16 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 1wic s PHE 29 CO 0.01 -0.95 0.13 0.20 0.70 0.00 0.00 175.22 175.31 1wic s GLY 30 N 1.85 2.18 0.33 4.36 0.00 -1.25 -4.40 107.32 110.39 1wic s GLY 30 Ca 0.10 -1.68 -0.28 0.00 0.00 0.00 0.00 44.72 42.85 1wic s GLY 30 CO -0.03 -1.68 1.21 -0.56 0.00 0.00 0.00 173.10 172.03 1wic s SER 31 N -3.45 6.90 0.04 1.64 0.01 -1.26 -2.68 113.70 114.91 1wic s SER 31 Ca 0.33 2.48 0.00 0.00 1.31 0.00 0.00 55.95 60.07 1wic s SER 31 Cb 0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wic s SER 31 CO 0.16 -0.42 0.00 -0.38 0.41 0.00 0.00 173.24 173.01 1wic n ILE 32 N 0.80 0.20 0.12 1.44 5.41 -1.18 -4.92 119.36 121.24 1wic n ILE 32 Ca 0.00 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1wic n ILE 32 Cb 0.44 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 1wic n ILE 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wic n GLU 33 N -2.74 0.00 -0.52 0.38 -0.58 -1.26 -4.94 120.64 110.98 1wic n GLU 33 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1wic n GLU 33 Cb 0.00 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.10 1wic n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wic n SER 34 N -3.09 3.39 -3.76 1.62 2.88 -1.26 -4.95 113.62 108.45 1wic n SER 34 Ca 0.00 -3.24 -0.14 0.00 -1.33 0.00 0.00 58.87 54.17 1wic n SER 34 Cb 0.00 -0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 62.75 1wic n SER 34 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wic s GLY 35 N -2.16 -0.02 -0.59 0.46 0.00 -1.26 -5.11 107.32 98.64 1wic s GLY 35 Ca 0.42 0.59 -0.19 0.00 0.00 0.00 0.00 44.72 45.55 1wic s GLY 35 CO 0.06 0.87 0.69 1.85 0.00 0.00 0.00 173.10 176.58 1wic s GLU 36 N 1.03 3.04 -0.33 2.90 2.12 -1.26 -3.08 118.70 123.12 1wic s GLU 36 Ca -0.08 -1.32 -0.17 0.00 0.36 0.00 0.00 54.97 53.75 1wic s GLU 36 Cb -0.10 -4.26 0.02 0.00 0.26 0.00 0.00 34.13 30.05 1wic s GLU 36 CO -0.05 -1.52 0.39 1.63 -0.54 0.00 0.00 175.26 175.17 1wic n LYS 37 N 6.27 -2.05 -3.85 4.30 5.02 -1.09 -4.86 118.16 121.89 1wic n LYS 37 Ca -0.10 1.78 -0.09 0.00 -2.02 0.00 0.00 58.31 57.88 1wic n LYS 37 Cb 0.42 -3.58 -0.06 0.00 -0.02 0.00 0.00 35.03 31.79 1wic n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wic s LYS 38 N -2.06 1.06 0.29 1.97 -2.85 -1.12 -4.50 119.74 112.53 1wic s LYS 38 Ca 0.20 -1.00 0.11 0.00 -1.00 0.00 0.00 55.97 54.28 1wic s LYS 38 Cb -0.03 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1wic s LYS 38 CO 0.66 -0.39 -0.13 -0.08 0.10 0.00 0.00 175.35 175.51 1wic s THR 39 N -3.90 2.61 -0.13 3.79 -1.32 -0.18 -3.78 115.64 112.74 1wic s THR 39 Ca 0.10 -2.25 -0.01 0.00 -1.21 0.00 0.00 61.69 58.32 1wic s THR 39 Cb 0.03 -2.49 0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1wic s THR 39 CO -0.06 -0.34 -0.03 -0.22 -2.21 0.00 0.00 174.62 171.77 1wic s LEU 40 N -3.57 1.10 -0.02 9.08 2.96 -1.26 0.95 118.68 127.92 1wic s LEU 40 Ca 0.31 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 1wic s LEU 40 Cb -0.03 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 1wic s LEU 40 CO 0.16 -0.19 0.51 -0.63 -1.32 0.00 0.00 176.35 174.89 1wic s ILE 41 N 1.80 4.97 -0.09 6.68 1.01 0.47 -4.64 121.20 131.41 1wic s ILE 41 Ca 0.03 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.76 1wic s ILE 41 Cb -0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1wic s ILE 41 CO -0.07 0.46 -0.11 -0.69 0.00 0.00 0.00 174.94 174.53 1wic s VAL 42 N -0.40 3.29 -0.28 2.92 1.01 0.18 0.10 120.40 127.22 1wic s VAL 42 Ca 0.28 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1wic s VAL 42 Cb -0.17 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1wic s VAL 42 CO 0.15 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 175.00 1wic s LEU 43 N -0.36 3.86 -0.44 3.92 1.43 -1.05 -0.75 118.68 125.29 1wic s LEU 43 Ca 0.04 -1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 51.33 1wic s LEU 43 Cb -0.12 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1wic s LEU 43 CO 0.02 -0.25 0.48 -0.89 0.23 0.00 0.00 176.35 175.94 1wic s THR 44 N 1.04 5.04 -0.36 5.49 2.01 0.34 -1.82 115.64 127.39 1wic s THR 44 Ca -0.03 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 1wic s THR 44 Cb -0.20 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1wic s THR 44 CO -0.06 -0.51 1.29 0.21 -0.69 0.00 0.00 174.62 174.87 1wic s ASN 45 N 2.01 6.59 -0.14 3.53 3.84 -0.70 0.33 114.94 130.40 1wic s ASN 45 Ca 0.13 0.99 -0.06 0.00 0.21 0.00 0.00 52.86 54.13 1wic s ASN 45 Cb -0.18 -2.54 -0.25 0.00 -0.55 0.00 0.00 41.25 37.74 1wic s ASN 45 CO 0.13 -1.19 0.27 1.33 -2.79 0.00 0.00 177.10 174.86 1wic n VAL 46 N 6.51 1.73 -1.04 -5.21 0.24 -1.04 -1.28 118.33 118.26 1wic n VAL 46 Ca 0.15 -0.62 -0.34 0.00 -2.04 0.00 0.00 64.34 61.48 1wic n VAL 46 Cb 0.47 -1.70 0.10 0.00 -1.47 0.00 0.00 33.84 31.24 1wic n VAL 46 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wic n THR 47 N -3.49 0.99 -0.53 3.34 -2.24 -1.19 -4.67 114.28 106.50 1wic n THR 47 Ca -0.34 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 1wic n THR 47 Cb 1.03 -0.72 0.14 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.34 2.03 -3.73 -0.78 3.00 -1.26 -4.18 118.16 111.89 1wic n LYS 48 Ca 0.09 -2.10 -0.12 0.00 -0.00 0.00 0.00 58.31 56.17 1wic n LYS 48 Cb 0.52 -1.84 -0.10 0.00 0.00 0.00 0.00 35.03 33.60 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 -0.59 -0.44 0.39 3.14 0.01 -1.26 -4.95 114.94 111.24 1wic s ASN 49 Ca 0.39 0.82 -0.20 0.00 -0.71 0.00 0.00 52.86 53.17 1wic s ASN 49 Cb 0.33 0.80 -0.15 0.00 0.41 0.00 0.00 41.25 42.64 1wic s ASN 49 CO 0.08 -0.15 0.06 -0.38 -1.51 0.00 0.00 177.10 175.20 1wic n ILE 50 N 3.22 0.55 -3.79 0.60 5.41 -1.26 -4.50 119.36 119.58 1wic n ILE 50 Ca -0.16 -0.47 -0.18 0.00 1.00 0.00 0.00 62.75 62.93 1wic n ILE 50 Cb 0.57 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.33 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 -1.62 0.07 0.14 1.39 1.01 -1.13 0.10 120.40 120.36 1wic s VAL 51 Ca 0.56 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 1wic s VAL 51 Cb -0.59 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1wic s VAL 51 CO 0.60 0.16 0.87 0.00 0.00 0.00 0.00 175.10 176.73 1wic s ALA 52 N 1.53 3.34 0.24 5.51 0.00 0.16 -0.33 121.76 132.22 1wic s ALA 52 Ca -0.03 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.46 1wic s ALA 52 Cb -0.13 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1wic s ALA 52 CO -0.03 0.13 -0.10 -0.59 0.00 0.00 0.00 175.76 175.17 1wic s PHE 53 N -0.55 1.80 0.07 0.00 -0.12 0.17 -0.80 117.98 118.54 1wic s PHE 53 Ca 0.41 -0.66 -0.20 0.00 -0.05 0.00 0.00 56.93 56.43 1wic s PHE 53 Cb -0.23 -0.94 0.05 0.00 -0.63 0.00 0.00 43.02 41.27 1wic s PHE 53 CO 0.28 0.29 0.47 0.15 -0.05 0.00 0.00 175.22 176.36 1wic s LYS 54 N -3.70 1.02 -0.05 1.99 1.02 -0.66 -2.81 119.74 116.55 1wic s LYS 54 Ca 0.26 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 1wic s LYS 54 Cb 0.02 0.46 0.03 0.00 -0.52 0.00 0.00 37.83 37.82 1wic s LYS 54 CO 0.09 -0.38 0.02 0.08 -0.92 0.00 0.00 175.35 174.24 1wic s VAL 55 N -2.81 0.18 0.28 3.17 1.01 -1.26 0.24 120.40 121.21 1wic s VAL 55 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1wic s VAL 55 Cb -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1wic s VAL 55 CO -0.05 0.22 0.15 0.00 0.00 0.00 0.00 175.10 175.41 1wic s ARG 56 N 1.90 1.50 0.27 2.72 1.04 0.31 -4.85 118.95 121.83 1wic s ARG 56 Ca 0.03 -1.84 -0.20 0.00 -1.04 0.00 0.00 55.73 52.68 1wic s ARG 56 Cb -0.12 -0.06 0.02 0.00 -2.04 0.00 0.00 34.95 32.75 1wic s ARG 56 CO -0.04 -0.41 0.68 -0.08 -0.04 0.00 0.00 175.30 175.40 1wic s THR 57 N -3.72 0.00 -1.73 4.99 -1.32 -1.26 0.21 115.64 112.81 1wic s THR 57 Ca 0.37 -1.04 0.20 0.00 -1.21 0.00 0.00 61.69 60.01 1wic s THR 57 Cb 0.06 -2.01 0.47 0.00 -1.51 0.00 0.00 72.50 69.51 1wic s THR 57 CO 0.16 -0.00 1.61 0.35 -2.21 0.00 0.00 174.62 174.53 1wic n THR 58 N -0.44 0.19 -3.06 5.08 -2.24 -1.14 -3.78 114.28 108.89 1wic n THR 58 Ca -0.04 0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1wic n THR 58 Cb 0.60 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.13 0.71 0.50 6.98 0.00 -1.26 -4.95 120.51 121.36 1wic n ALA 59 Ca 0.13 -2.31 0.13 0.00 0.00 0.00 0.00 53.44 51.38 1wic n ALA 59 Cb 0.11 -1.07 0.45 0.00 0.00 0.00 0.00 19.45 18.94 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 2.30 0.24 -0.44 0.00 -0.04 -1.25 -2.33 135.00 133.48 1wic n PRO 60 Ca 0.21 0.33 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 1wic n PRO 60 Cb 0.54 -1.86 0.24 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.29 2.95 0.00 0.54 0.28 -1.26 -4.11 120.64 116.75 1wic n GLU 61 Ca 0.04 -1.93 0.00 0.00 -0.16 0.00 0.00 57.16 55.10 1wic n GLU 61 Cb 0.34 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.47 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 0.63 0.00 -3.60 3.44 5.02 -1.01 -4.92 118.16 117.72 1wic n LYS 62 Ca 0.17 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.07 1wic n LYS 62 Cb 0.68 -0.50 -0.11 0.00 -0.02 0.00 0.00 35.03 35.08 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 -1.84 3.20 -0.74 2.13 2.02 -0.99 0.19 117.35 121.32 1wic s TYR 63 Ca 0.00 -0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 56.09 1wic s TYR 63 Cb 0.00 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.19 1wic s TYR 63 CO 0.00 -0.38 1.25 0.50 -1.57 0.00 0.00 175.55 175.35 1wic s ARG 64 N 1.67 3.20 -0.16 -0.62 6.06 0.54 -4.72 118.95 124.92 1wic s ARG 64 Ca 0.06 -0.35 -0.12 0.00 -2.50 0.00 0.00 55.73 52.82 1wic s ARG 64 Cb -0.17 -4.23 -0.05 0.00 0.06 0.00 0.00 34.95 30.56 1wic s ARG 64 CO 0.08 -2.11 0.22 0.08 -2.50 0.00 0.00 175.30 171.07 1wic s VAL 65 N 5.50 5.36 -0.28 7.11 1.01 -1.26 -2.86 120.40 134.97 1wic s VAL 65 Ca 0.34 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 1wic s VAL 65 Cb -0.09 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.85 1wic s VAL 65 CO 0.13 0.45 0.83 -0.75 0.00 0.00 0.00 175.10 175.76 1wic s LYS 66 N 0.17 0.62 0.29 2.72 2.20 -0.79 -3.72 119.74 121.22 1wic s LYS 66 Ca 0.13 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.38 1wic s LYS 66 Cb -0.12 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 1wic s LYS 66 CO 0.02 -0.10 1.08 -1.25 -0.36 0.00 0.00 175.35 174.73 1wic s PRO 67 N 1.01 4.61 -0.46 4.03 0.04 -1.25 -0.42 135.00 142.56 1wic s PRO 67 Ca -0.05 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1wic s PRO 67 Cb -0.05 -3.13 0.45 0.00 0.04 0.00 0.00 34.50 31.81 1wic s PRO 67 CO -0.11 0.21 1.53 -1.13 0.04 0.00 0.00 177.00 177.53 1wic n SER 68 N 1.09 6.04 0.00 6.66 3.41 -1.24 -4.72 113.62 124.85 1wic n SER 68 Ca -0.01 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1wic n SER 68 Cb 0.45 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1wic n SER 68 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wic n ASN 69 N -0.77 0.00 0.00 4.04 6.94 -1.26 -4.52 115.26 119.69 1wic n ASN 69 Ca 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1wic n ASN 69 Cb 0.81 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1wic n SER 70 N 0.00 0.00 -4.07 0.53 2.88 -1.12 -4.93 113.62 106.90 1wic n SER 70 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1wic n SER 70 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -4.00 0.73 -0.23 -3.46 0.01 -1.26 0.45 113.70 105.94 1wic s SER 71 Ca 0.00 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 1wic s SER 71 Cb 0.00 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1wic s SER 71 CO 0.00 -0.35 -0.07 0.00 0.41 0.00 0.00 173.24 173.23 1wic n ASP 73 N 4.71 -2.11 -4.73 0.00 9.92 -1.26 -2.84 116.55 120.24 1wic n ASP 73 Ca -0.18 0.08 -0.41 0.00 -0.53 0.00 0.00 54.79 53.76 1wic n ASP 73 Cb 0.49 -1.10 -0.04 0.00 -0.64 0.00 0.00 41.12 39.83 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wic s PRO 74 N -3.63 4.55 -0.54 -0.24 0.04 -1.26 -3.14 135.00 130.78 1wic s PRO 74 Ca 0.58 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wic s PRO 74 Cb -0.17 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1wic s PRO 74 CO 0.66 -0.01 0.03 0.41 0.04 0.00 0.00 177.00 178.13 1wic n GLY 75 N 2.27 0.13 3.37 0.56 0.00 -0.40 -5.00 105.19 106.13 1wic n GLY 75 Ca 0.04 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.46 0.65 -3.51 4.61 0.00 -1.19 -4.99 120.51 114.63 1wic n ALA 76 Ca -0.07 -2.07 -0.13 0.00 0.00 0.00 0.00 53.44 51.17 1wic n ALA 76 Cb 0.56 1.51 -0.13 0.00 0.00 0.00 0.00 19.45 21.38 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 -3.49 -0.19 0.41 0.00 1.04 -1.26 -1.72 113.70 108.49 1wic s SER 77 Ca 0.29 0.40 0.08 0.00 0.48 0.00 0.00 55.95 57.19 1wic s SER 77 Cb 0.01 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1wic s SER 77 CO 0.21 -0.13 0.41 -0.51 0.98 0.00 0.00 173.24 174.20 1wic s ILE 78 N 0.84 2.83 -0.09 -1.02 2.07 -0.75 -4.91 121.20 120.17 1wic s ILE 78 Ca -0.06 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.91 1wic s ILE 78 Cb -0.08 -3.03 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1wic s ILE 78 CO -0.05 -0.02 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.08 1wic s ASP 79 N -4.16 1.91 -0.27 4.50 1.01 -1.26 -2.53 116.67 115.87 1wic s ASP 79 Ca 0.49 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1wic s ASP 79 Cb -0.05 -0.76 0.07 0.00 1.01 0.00 0.00 42.92 43.19 1wic s ASP 79 CO 0.29 -0.09 -0.08 -0.63 0.21 0.00 0.00 175.17 174.88 1wic s ILE 80 N 1.42 2.11 0.38 0.77 -1.09 0.28 -3.94 121.20 121.14 1wic s ILE 80 Ca -0.01 -1.71 -0.24 0.00 -2.23 0.00 0.00 60.65 56.47 1wic s ILE 80 Cb -0.13 -2.29 -0.10 0.00 -1.58 0.00 0.00 42.46 38.36 1wic s ILE 80 CO -0.04 -0.13 0.98 -0.63 -1.23 0.00 0.00 174.94 173.88 1wic s ILE 81 N 1.10 4.11 -0.27 2.92 1.09 0.44 0.18 121.20 130.78 1wic s ILE 81 Ca -0.05 1.56 -0.04 0.00 -1.10 0.00 0.00 60.65 61.02 1wic s ILE 81 Cb -0.20 -3.77 0.10 0.00 -1.06 0.00 0.00 42.46 37.52 1wic s ILE 81 CO -0.06 -0.05 0.14 -0.69 -0.10 0.00 0.00 174.94 174.18 1wic s VAL 82 N -1.81 -0.10 0.06 2.92 1.01 0.27 -1.89 120.40 120.85 1wic s VAL 82 Ca 0.57 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1wic s VAL 82 Cb -0.17 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1wic s VAL 82 CO 0.21 -0.62 -0.18 -0.55 0.00 0.00 0.00 175.10 173.96 1wic s SER 83 N 2.13 2.21 1.06 3.32 0.15 -1.14 -1.01 113.70 120.43 1wic s SER 83 Ca 0.08 -0.56 -0.17 0.00 0.70 0.00 0.00 55.95 56.00 1wic s SER 83 Cb -0.16 -0.15 0.23 0.00 -1.71 0.00 0.00 66.02 64.24 1wic s SER 83 CO -0.31 0.08 1.21 -2.16 1.20 0.00 0.00 173.24 173.26 1wic s PRO 84 N -1.41 -0.14 0.61 5.44 0.04 -1.26 0.20 135.00 138.49 1wic s PRO 84 Ca 0.05 -0.19 0.33 0.00 0.04 0.00 0.00 61.00 61.23 1wic s PRO 84 Cb -0.09 -1.73 1.93 0.00 0.04 0.00 0.00 34.50 34.64 1wic s PRO 84 CO 0.02 -2.97 2.26 0.45 0.04 0.00 0.00 177.00 176.80 1wic h HIS 85 N -2.05 0.00 0.00 0.56 3.86 0.17 -3.42 115.15 114.28 1wic h HIS 85 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1wic h HIS 85 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1wic h HIS 85 CO -1.45 0.00 0.00 0.41 0.86 0.00 0.00 177.93 177.75 1wic n GLY 86 N -1.28 2.93 1.95 2.45 0.00 -1.26 -4.85 105.19 105.13 1wic n GLY 86 Ca -0.03 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 4.15 3.83 -0.02 0.00 -1.26 -4.89 105.19 107.00 1wic n GLY 87 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1wic n GLY 87 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wic s LEU 88 N -2.47 -0.02 0.34 0.99 0.05 -1.26 -5.18 118.68 111.13 1wic s LEU 88 Ca 0.42 -0.90 0.07 0.00 0.05 0.00 0.00 54.13 53.77 1wic s LEU 88 Cb 0.35 2.53 -0.02 0.00 -2.05 0.00 0.00 46.19 47.00 1wic s LEU 88 CO 0.05 -1.38 0.31 0.28 -0.55 0.00 0.00 176.35 175.06 1wic s THR 89 N -2.42 3.53 -0.78 5.48 -1.32 -1.26 -4.86 115.64 114.00 1wic s THR 89 Ca 0.17 -1.34 0.25 0.00 -1.21 0.00 0.00 61.69 59.57 1wic s THR 89 Cb -0.04 -3.19 0.25 0.00 -1.51 0.00 0.00 72.50 68.00 1wic s THR 89 CO 0.08 -0.16 1.76 0.52 -2.21 0.00 0.00 174.62 174.62 1wic n VAL 90 N -1.41 0.54 -0.95 5.08 0.31 -1.26 -5.00 118.33 115.64 1wic n VAL 90 Ca -0.01 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.40 1wic n VAL 90 Cb 0.60 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 1wic n VAL 90 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1wic n SER 91 N -1.97 -5.31 -0.24 4.52 7.64 -1.26 -4.10 113.62 112.91 1wic n SER 91 Ca 0.05 0.44 0.06 0.00 1.01 0.00 0.00 58.87 60.42 1wic n SER 91 Cb 0.33 -3.07 -0.01 0.00 -1.01 0.00 0.00 64.21 60.46 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 -1.96 2.96 -0.03 -0.43 0.00 -1.26 -4.45 120.51 115.35 1wic n ALA 92 Ca -0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 1wic n ALA 92 Cb 0.61 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.31 0.68 -1.47 0.00 6.02 -1.26 -4.91 117.38 116.13 1wic n GLN 93 Ca 0.05 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 1wic n GLN 93 Cb 0.23 -1.72 0.01 0.00 1.02 0.00 0.00 30.24 29.78 1wic n GLN 93 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1wic n ASP 94 N -3.18 -0.66 -3.75 1.08 5.75 -1.26 -4.99 116.55 109.54 1wic n ASP 94 Ca -0.25 0.94 -0.12 0.00 -0.01 0.00 0.00 54.79 55.34 1wic n ASP 94 Cb 1.06 -1.13 -0.12 0.00 -1.03 0.00 0.00 41.12 39.89 1wic n ASP 94 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wic s ARG 95 N -1.59 0.24 0.17 0.11 1.81 -1.26 -4.64 118.95 113.80 1wic s ARG 95 Ca 0.63 0.45 0.05 0.00 -1.72 0.00 0.00 55.73 55.14 1wic s ARG 95 Cb -0.61 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 33.85 1wic s ARG 95 CO 0.58 -0.10 0.16 -0.06 -0.68 0.00 0.00 175.30 175.19 1wic s PHE 96 N 0.75 3.18 -0.01 -0.53 0.08 -1.01 -2.89 117.98 117.56 1wic s PHE 96 Ca -0.05 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1wic s PHE 96 Cb -0.06 -1.52 -0.00 0.00 -0.57 0.00 0.00 43.02 40.86 1wic s PHE 96 CO -0.05 0.52 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.38 1wic s LEU 97 N -3.16 1.91 0.01 -0.37 1.98 0.57 -0.07 118.68 119.54 1wic s LEU 97 Ca 0.31 -0.09 0.05 0.00 -2.89 0.00 0.00 54.13 51.52 1wic s LEU 97 Cb -0.10 -0.27 -0.02 0.00 0.66 0.00 0.00 46.19 46.46 1wic s LEU 97 CO 0.24 0.04 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.95 1wic s ILE 98 N 0.02 1.27 0.20 6.68 1.01 0.24 0.11 121.20 130.74 1wic s ILE 98 Ca 0.00 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 59.95 1wic s ILE 98 Cb -0.04 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1wic s ILE 98 CO -0.00 0.26 -0.18 -0.04 0.00 0.00 0.00 174.94 174.98 1wic s MET 99 N -0.63 1.76 -0.26 2.79 -1.94 0.14 1.00 119.30 122.15 1wic s MET 99 Ca 0.05 -1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 52.46 1wic s MET 99 Cb -0.07 -1.96 0.10 0.00 2.01 0.00 0.00 34.83 34.91 1wic s MET 99 CO 0.00 0.40 0.61 0.00 -0.01 0.00 0.00 175.02 176.02 1wic s ALA 100 N -1.80 -1.74 -0.02 3.03 0.00 -1.03 -1.65 121.76 118.56 1wic s ALA 100 Ca 0.24 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.37 1wic s ALA 100 Cb -0.08 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1wic s ALA 100 CO 0.13 -0.60 -0.00 0.00 0.00 0.00 0.00 175.76 175.29 1wic s ALA 101 N 2.15 0.26 -0.17 0.00 0.00 0.02 -0.60 121.76 123.42 1wic s ALA 101 Ca -0.08 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 1wic s ALA 101 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1wic s ALA 101 CO -0.18 -0.04 1.63 -2.00 0.00 0.00 0.00 175.76 175.18 1wic s GLU 102 N 0.72 3.91 0.69 0.00 2.12 -1.26 -0.66 118.70 124.22 1wic s GLU 102 Ca -0.07 1.84 -0.04 0.00 0.36 0.00 0.00 54.97 57.06 1wic s GLU 102 Cb -0.10 -4.02 0.08 0.00 0.26 0.00 0.00 34.13 30.35 1wic s GLU 102 CO -0.01 -1.16 0.97 -1.64 -0.54 0.00 0.00 175.26 172.88 1wic s MET 103 N 4.49 2.03 0.00 4.30 -1.94 0.28 -4.92 119.30 123.54 1wic s MET 103 Ca 0.72 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1wic s MET 103 Cb -0.28 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.30 1wic s MET 103 CO 0.29 -1.25 0.00 0.39 -0.01 0.00 0.00 175.02 174.44 1wic n GLU 104 N -2.81 0.66 0.00 2.03 -0.58 -1.26 -4.30 120.64 114.37 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 -0.93 0.00 -1.71 3.49 1.13 -1.26 -4.40 117.38 113.71 1wic n GLN 105 Ca 0.00 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 1wic n GLN 105 Cb 0.00 -0.92 -0.03 0.00 0.11 0.00 0.00 30.24 29.40 1wic n GLN 105 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1wic n SER 106 N -0.55 3.99 -3.15 1.08 7.64 -1.26 -4.85 113.62 116.53 1wic n SER 106 Ca 0.00 1.03 0.05 0.00 1.01 0.00 0.00 58.87 60.96 1wic n SER 106 Cb 0.00 -1.56 -0.01 0.00 -1.01 0.00 0.00 64.21 61.63 1wic n SER 106 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 107 N 1.77 -0.90 0.00 6.43 0.01 -1.26 -5.01 113.70 114.75 1wic s SER 107 Ca 0.78 0.53 0.30 0.00 1.31 0.00 0.00 55.95 58.86 1wic s SER 107 Cb -0.50 1.74 1.39 0.00 0.21 0.00 0.00 66.02 68.86 1wic s SER 107 CO 0.34 -0.17 1.98 0.61 0.41 0.00 0.00 173.24 176.42 1wic n GLY 108 N 5.44 -1.27 3.38 3.44 0.00 -1.26 -4.89 105.19 110.03 1wic n GLY 108 Ca -0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.29 -0.66 -1.22 2.61 -2.24 -1.26 -4.92 114.28 105.31 1wic n THR 109 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1wic n THR 109 Cb 0.27 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.03 -0.09 0.22 3.38 0.00 -1.26 -4.46 105.19 101.95 1wic n GLY 110 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.14 132.00 128.69 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 0.15 -0.29 0.00 -0.23 0.00 0.00 178.00 177.64 1wic n ALA 112 N -2.16 0.25 -0.20 -0.56 0.00 -1.26 -3.31 120.51 113.28 1wic n ALA 112 Ca 0.02 -0.33 0.19 0.00 0.00 0.00 0.00 53.44 53.32 1wic n ALA 112 Cb 0.48 0.01 0.35 0.00 0.00 0.00 0.00 19.45 20.29 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 -3.30 -0.04 0.02 0.00 -0.58 -1.26 0.18 120.64 115.66 1wic n GLU 113 Ca -0.04 0.85 -0.01 0.00 -0.42 0.00 0.00 57.16 57.55 1wic n GLU 113 Cb 0.15 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 -0.05 -1.81 -4.62 -0.00 -1.73 0.33 115.31 107.42 1wic h LEU 114 Ca 0.51 0.00 0.40 0.00 -0.00 0.00 0.00 57.88 58.79 1wic h LEU 114 Cb 1.35 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.94 1wic h LEU 114 CO -0.48 -0.00 0.95 0.28 -0.00 0.00 0.00 178.44 179.19 1wic h SER 115 N -0.11 0.10 0.86 -0.43 0.02 -0.28 2.35 113.55 116.06 1wic h SER 115 Ca -0.01 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 1wic h SER 115 Cb 0.04 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1wic h SER 115 CO 0.01 -0.02 -1.11 1.56 -1.14 0.00 0.00 176.83 176.13 1wic h GLN 116 N 0.07 0.08 0.00 3.45 4.20 0.19 -1.61 115.11 121.50 1wic h GLN 116 Ca 0.69 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 59.21 1wic h GLN 116 Cb 2.53 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 30.36 1wic h GLN 116 CO -0.11 1.05 -0.54 0.35 -0.67 0.00 0.00 178.83 178.90 1wic h PHE 117 N 0.02 0.00 0.00 2.96 3.57 0.72 -2.27 116.94 121.94 1wic h PHE 117 Ca -0.06 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.21 1wic h PHE 117 Cb 1.84 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.55 1wic h PHE 117 CO 0.02 0.18 -1.38 -1.49 -2.23 0.00 0.00 178.31 173.41 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.22 0.46 115.95 121.10 1wic h TRP 118 Ca -0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1wic h TRP 118 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.30 1wic h TRP 118 CO 0.00 0.84 -0.40 1.57 -3.56 0.00 0.00 178.44 176.89 1wic h LYS 119 N 0.00 0.00 0.04 0.49 5.09 -1.32 -3.33 116.57 117.54 1wic h LYS 119 Ca -0.17 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.23 1wic h LYS 119 Cb 1.79 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 34.08 1wic h LYS 119 CO 0.08 0.26 -1.92 0.39 -2.09 0.00 0.00 179.45 176.16 1wic n GLU 120 N -3.12 0.65 -2.15 0.07 1.02 -0.86 -4.88 120.64 111.37 1wic n GLU 120 Ca 0.02 0.35 -0.42 0.00 -0.02 0.00 0.00 57.16 57.09 1wic n GLU 120 Cb 0.65 -1.66 -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 -2.48 3.55 0.58 2.62 0.11 0.15 -4.99 120.40 119.94 1wic s VAL 121 Ca -0.29 0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 1wic s VAL 121 Cb 0.08 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1wic s VAL 121 CO 0.64 -0.00 1.05 -2.16 -3.33 0.00 0.00 175.10 171.29 1wic s PRO 122 N 2.46 3.41 0.46 1.54 0.04 -1.26 -4.76 135.00 136.89 1wic s PRO 122 Ca 0.66 1.18 0.18 0.00 0.04 0.00 0.00 61.00 63.06 1wic s PRO 122 Cb -0.33 -2.05 1.15 0.00 0.04 0.00 0.00 34.50 33.30 1wic s PRO 122 CO 0.28 -0.73 1.97 0.07 0.04 0.00 0.00 177.00 178.63 1wic h ARG 123 N 0.54 0.28 0.00 4.56 -0.00 -1.92 0.57 114.38 118.41 1wic h ARG 123 Ca -0.47 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.47 1wic h ARG 123 Cb 1.22 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1wic h ARG 123 CO 0.58 0.18 -0.09 -0.91 -0.00 0.00 0.00 179.97 179.73 1wic h ASN 124 N 0.28 0.00 -0.54 0.08 4.21 -2.02 0.16 115.58 117.76 1wic h ASN 124 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1wic h ASN 124 Cb 0.74 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1wic h ASN 124 CO -0.07 0.09 0.00 0.29 -1.29 0.00 0.00 177.43 176.46 1wic n LYS 125 N -3.89 2.59 -4.20 0.81 4.76 0.19 -4.86 118.16 113.56 1wic n LYS 125 Ca -0.02 -2.43 -0.34 0.00 -2.87 0.00 0.00 58.31 52.65 1wic n LYS 125 Cb 0.19 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 31.72 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 -1.22 3.30 -0.60 -0.18 1.01 0.57 -4.47 120.40 118.80 1wic s VAL 126 Ca 0.42 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1wic s VAL 126 Cb 0.23 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1wic s VAL 126 CO 0.31 0.46 0.84 -0.32 0.00 0.00 0.00 175.10 176.39 1wic s MET 127 N 1.04 3.13 -0.16 2.72 1.75 0.23 -4.87 119.30 123.13 1wic s MET 127 Ca 0.00 -0.89 -0.24 0.00 -1.25 0.00 0.00 55.69 53.32 1wic s MET 127 Cb -0.15 -4.19 -0.02 0.00 2.84 0.00 0.00 34.83 33.31 1wic s MET 127 CO -0.01 -1.61 0.75 -1.21 -0.65 0.00 0.00 175.02 172.30 1wic s GLU 128 N 3.47 4.29 -0.23 4.11 2.02 -1.25 -2.46 118.70 128.65 1wic s GLU 128 Ca 0.19 0.88 0.02 0.00 0.02 0.00 0.00 54.97 56.08 1wic s GLU 128 Cb -0.19 -3.56 0.05 0.00 0.10 0.00 0.00 34.13 30.54 1wic s GLU 128 CO 0.11 -0.24 -0.11 -1.58 0.02 0.00 0.00 175.26 173.46 1wic s HIS 129 N 1.87 2.87 -0.20 1.61 2.46 0.28 -4.91 115.29 119.26 1wic s HIS 129 Ca 0.35 -1.99 -0.19 0.00 0.47 0.00 0.00 55.06 53.71 1wic s HIS 129 Cb -0.17 -1.80 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 1wic s HIS 129 CO 0.13 -0.82 0.53 1.03 -2.47 0.00 0.00 174.74 173.13 1wic s ARG 130 N 1.24 4.18 0.09 2.88 3.00 -1.26 0.80 118.95 129.89 1wic s ARG 130 Ca -0.05 0.43 -0.12 0.00 0.00 0.00 0.00 55.73 55.98 1wic s ARG 130 Cb -0.18 -3.57 -0.06 0.00 0.00 0.00 0.00 34.95 31.14 1wic s ARG 130 CO -0.07 -0.17 0.46 -0.51 0.00 0.00 0.00 175.30 175.01 1wic s LEU 131 N 1.71 4.37 0.01 2.53 2.01 0.89 -4.76 118.68 125.45 1wic s LEU 131 Ca 0.24 0.93 0.07 0.00 0.01 0.00 0.00 54.13 55.39 1wic s LEU 131 Cb -0.15 -3.01 -0.02 0.00 0.01 0.00 0.00 46.19 43.01 1wic s LEU 131 CO 0.10 0.18 -0.22 0.00 1.01 0.00 0.00 176.35 177.41 1wic s ARG 132 N -1.77 1.66 0.44 1.70 1.70 -1.26 -2.41 118.95 119.01 1wic s ARG 132 Ca 0.33 -0.87 -0.21 0.00 -0.47 0.00 0.00 55.73 54.50 1wic s ARG 132 Cb -0.15 -1.69 -0.10 0.00 -0.57 0.00 0.00 34.95 32.44 1wic s ARG 132 CO 0.18 0.45 0.98 0.00 -1.08 0.00 0.00 175.30 175.82 1wic s HIS 134 N -2.09 3.03 0.41 0.00 2.46 -0.89 -4.71 115.29 113.49 1wic s HIS 134 Ca 0.63 -1.52 0.03 0.00 0.47 0.00 0.00 55.06 54.67 1wic s HIS 134 Cb -0.12 -4.47 -0.01 0.00 -0.13 0.00 0.00 32.58 27.85 1wic s HIS 134 CO 0.16 -1.62 0.09 0.25 -2.47 0.00 0.00 174.74 171.15 1wic n THR 135 N 5.74 0.00 -3.69 0.89 -2.24 -1.26 -5.03 114.28 108.68 1wic n THR 135 Ca 0.34 -2.22 -0.10 0.00 -2.27 0.00 0.00 64.05 59.80 1wic n THR 135 Cb 0.47 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1wic n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wic s VAL 136 N -2.89 0.03 -0.32 2.28 0.11 -1.26 -5.11 120.40 113.24 1wic s VAL 136 Ca 0.13 -0.67 -0.41 0.00 -2.93 0.00 0.00 61.98 58.10 1wic s VAL 136 Cb 0.01 -1.47 -0.16 0.00 -1.53 0.00 0.00 36.38 33.22 1wic s VAL 136 CO 0.09 -0.13 1.71 -0.62 -3.33 0.00 0.00 175.10 172.83 1wic n GLU 137 N -0.33 0.93 -3.64 1.54 1.02 -1.26 -4.90 120.64 113.99 1wic n GLU 137 Ca -0.11 0.34 -0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1wic n GLU 137 Cb 0.63 -1.99 -0.07 0.00 -0.02 0.00 0.00 31.44 29.99 1wic n GLU 137 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wic s SER 138 N 3.40 -0.35 0.35 1.62 0.15 -1.26 -5.15 113.70 112.46 1wic s SER 138 Ca 0.99 0.61 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1wic s SER 138 Cb -1.15 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1wic s SER 138 CO 0.69 -0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.78 1wic n SER 139 N 2.76 -5.58 -3.50 5.45 2.88 -1.26 -4.98 113.62 109.39 1wic n SER 139 Ca -0.15 0.78 -0.05 0.00 -1.33 0.00 0.00 58.87 58.12 1wic n SER 139 Cb 0.57 -3.17 -0.06 0.00 -0.75 0.00 0.00 64.21 60.79 1wic n SER 139 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wic s LYS 140 N -3.18 0.43 0.92 -1.46 -2.85 -1.26 -5.16 119.74 107.17 1wic s LYS 140 Ca 0.00 1.01 -0.12 0.00 -1.00 0.00 0.00 55.97 55.85 1wic s LYS 140 Cb 0.00 0.30 0.14 0.00 -2.06 0.00 0.00 37.83 36.21 1wic s LYS 140 CO 0.00 -0.39 1.14 -1.25 0.10 0.00 0.00 175.35 174.95 1wic s PRO 141 N 2.70 1.10 0.30 1.78 0.04 -1.26 -4.90 135.00 134.76 1wic s PRO 141 Ca 0.05 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1wic s PRO 141 Cb -0.13 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wic s PRO 141 CO -0.16 -2.22 0.00 -1.71 0.04 0.00 0.00 177.00 172.95 1wic n ASN 142 N -3.78 -4.32 -4.17 6.66 4.05 -1.26 -4.84 115.26 107.61 1wic n ASN 142 Ca 0.07 0.95 -0.39 0.00 0.45 0.00 0.00 54.58 55.65 1wic n ASN 142 Cb 0.59 -2.09 -0.09 0.00 1.23 0.00 0.00 39.78 39.43 1wic n ASN 142 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1wic s SER 143 N -4.17 5.56 0.37 1.20 0.01 -1.26 -5.07 113.70 110.33 1wic s SER 143 Ca 0.00 -2.15 0.05 0.00 1.31 0.00 0.00 55.95 55.17 1wic s SER 143 Cb 0.00 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1wic s SER 143 CO 0.00 -0.59 0.53 -0.76 0.41 0.00 0.00 173.24 172.83 1wic s LEU 144 N 1.00 3.86 -0.27 2.44 2.01 -1.26 -5.00 118.68 121.46 1wic s LEU 144 Ca 0.09 -0.10 -0.30 0.00 0.01 0.00 0.00 54.13 53.83 1wic s LEU 144 Cb -0.23 -2.83 -0.07 0.00 0.01 0.00 0.00 46.19 43.06 1wic s LEU 144 CO -0.03 -0.53 2.22 0.80 1.01 0.00 0.00 176.35 179.83 1wic n MET 145 N -1.77 1.64 -4.44 1.70 1.56 -1.26 -4.93 117.12 109.62 1wic n MET 145 Ca 0.01 0.44 -0.22 0.00 -0.27 0.00 0.00 57.70 57.66 1wic n MET 145 Cb 0.58 -3.00 -0.10 0.00 2.15 0.00 0.00 33.22 32.85 1wic n MET 145 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wic s LEU 146 N 8.16 2.44 0.19 -0.89 1.43 -1.26 -5.04 118.68 123.70 1wic s LEU 146 Ca 1.04 -1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1wic s LEU 146 Cb -0.50 -0.59 0.12 0.00 0.03 0.00 0.00 46.19 45.25 1wic s LEU 146 CO 0.39 -0.41 1.58 -1.28 0.23 0.00 0.00 176.35 176.87 1wic h SER 147 N 2.22 -1.20 0.00 2.29 0.87 -2.07 -3.45 113.55 112.21 1wic h SER 147 Ca -0.40 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1wic h SER 147 Cb 1.24 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 1wic h SER 147 CO 0.68 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 1wic n GLY 148 N -1.43 0.94 3.78 5.77 0.00 -1.26 -4.67 105.19 108.31 1wic n GLY 148 Ca 0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.42 -0.50 1.61 0.04 -1.26 -4.86 135.00 130.45 1wic s PRO 149 Ca 0.00 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.76 1wic s PRO 149 Cb 0.00 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1wic s PRO 149 CO 0.00 -2.64 2.38 0.43 0.04 0.00 0.00 177.00 177.21 1wic n SER 150 N -4.02 2.07 -4.92 6.66 7.64 -1.26 -4.91 113.62 114.87 1wic n SER 150 Ca 0.10 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 1wic n SER 150 Cb 0.59 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1wic n SER 150 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wic s SER 151 N 9.80 5.70 0.00 6.43 1.04 -1.26 -5.27 113.70 130.14 1wic s SER 151 Ca 1.08 0.70 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1wic s SER 151 Cb -0.57 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1wic s SER 151 CO 0.37 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.24