#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3y n SER 4 N 0.00 0.00 0.17 4.38 3.41 -1.26 -2.52 113.62 117.80 1p3y n SER 4 Ca 0.00 0.05 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 1p3y n SER 4 Cb 0.00 -0.30 0.26 0.00 -0.26 0.00 0.00 64.21 63.92 1p3y n SER 4 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1p3y h ILE 5 N 0.00 1.10 0.00 -1.33 6.09 -2.02 -3.14 117.51 118.21 1p3y h ILE 5 Ca 0.00 -1.77 -0.12 0.00 -1.37 0.00 0.00 64.86 61.60 1p3y h ILE 5 Cb 0.18 2.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.47 1p3y h ILE 5 CO 0.00 0.46 -0.58 -0.07 -3.07 0.00 0.00 178.15 174.90 1p3y h LEU 6 N 0.00 0.00 -0.84 2.19 3.38 -1.71 -3.26 115.31 115.07 1p3y h LEU 6 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p3y h LEU 6 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1p3y h LEU 6 CO 0.06 0.58 0.70 0.07 0.09 0.00 0.00 178.44 179.94 1p3y h LYS 7 N 0.00 0.00 -0.01 1.13 2.10 -0.83 0.45 116.57 119.42 1p3y h LYS 7 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1p3y h LYS 7 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1p3y h LYS 7 CO 0.08 0.00 -0.51 -0.40 -2.00 0.00 0.00 179.45 176.61 1p3y n ASP 8 N -2.62 1.75 -4.38 7.07 5.68 -1.23 -2.16 116.55 120.65 1p3y n ASP 8 Ca -0.01 -3.88 -0.28 0.00 -0.50 0.00 0.00 54.79 50.12 1p3y n ASP 8 Cb 0.72 -0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 40.05 1p3y n ASP 8 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1p3y s LYS 9 N -3.19 1.38 -0.24 0.11 -0.14 0.16 -4.83 119.74 112.99 1p3y s LYS 9 Ca 0.38 -1.35 -0.16 0.00 -1.36 0.00 0.00 55.97 53.48 1p3y s LYS 9 Cb 0.37 -1.84 -0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1p3y s LYS 9 CO -0.07 0.43 0.43 0.15 -0.76 0.00 0.00 175.35 175.53 1p3y s LYS 10 N -2.10 4.10 -0.17 1.68 1.02 -1.26 -1.67 119.74 121.34 1p3y s LYS 10 Ca 0.14 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.29 1p3y s LYS 10 Cb -0.10 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1p3y s LYS 10 CO 0.06 -0.20 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.11 1p3y s LEU 11 N 1.81 3.30 -0.18 3.17 2.96 -0.02 -0.66 118.68 129.06 1p3y s LEU 11 Ca 0.19 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1p3y s LEU 11 Cb -0.15 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1p3y s LEU 11 CO 0.09 0.14 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.96 1p3y s LEU 12 N 0.54 2.82 -0.22 -0.68 2.96 -0.06 -0.91 118.68 123.13 1p3y s LEU 12 Ca -0.02 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1p3y s LEU 12 Cb -0.14 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1p3y s LEU 12 CO 0.02 0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.45 1p3y s ILE 13 N 0.97 3.48 -0.24 6.68 1.01 -0.08 -1.03 121.20 131.98 1p3y s ILE 13 Ca -0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1p3y s ILE 13 Cb -0.15 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1p3y s ILE 13 CO -0.00 0.42 0.36 -0.83 0.00 0.00 0.00 174.94 174.89 1p3y s GLY 14 N 1.39 1.96 -0.18 6.18 0.00 -0.33 -1.13 107.32 115.20 1p3y s GLY 14 Ca 0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 1p3y s GLY 14 CO -0.02 0.86 0.06 -0.42 0.00 0.00 0.00 173.10 173.58 1p3y s ILE 15 N 1.71 4.74 0.51 0.90 1.01 0.36 -1.47 121.20 128.95 1p3y s ILE 15 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1p3y s ILE 15 Cb -0.15 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1p3y s ILE 15 CO 0.09 0.46 0.36 0.00 0.00 0.00 0.00 174.94 175.84 1p3y s GLY 17 N -4.20 0.19 -0.08 0.00 0.00 -1.26 -4.42 107.32 97.56 1p3y s GLY 17 Ca 0.36 -0.69 -0.23 0.00 0.00 0.00 0.00 44.72 44.16 1p3y s GLY 17 CO 0.22 3.43 0.54 -0.45 0.00 0.00 0.00 173.10 176.83 1p3y s SER 18 N 8.12 -0.50 0.42 1.64 0.15 -1.26 -4.87 113.70 117.39 1p3y s SER 18 Ca 0.67 0.64 0.11 0.00 0.70 0.00 0.00 55.95 58.07 1p3y s SER 18 Cb -0.12 0.63 0.94 0.00 -1.71 0.00 0.00 66.02 65.76 1p3y s SER 18 CO 0.20 -0.45 2.00 0.40 1.20 0.00 0.00 173.24 176.59 1p3y h ILE 19 N 3.60 0.98 0.00 6.45 1.08 -1.98 -0.81 117.51 126.83 1p3y h ILE 19 Ca -0.28 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1p3y h ILE 19 Cb 1.16 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1p3y h ILE 19 CO 0.33 0.09 0.00 -1.54 -0.69 0.00 0.00 178.15 176.34 1p3y n SER 20 N -4.47 0.28 0.22 1.72 3.41 -1.26 -1.63 113.62 111.89 1p3y n SER 20 Ca 0.08 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1p3y n SER 20 Cb 0.26 -0.65 0.50 0.00 -0.26 0.00 0.00 64.21 64.06 1p3y n SER 20 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1p3y h SER 21 N 0.00 0.00 0.05 4.04 0.02 -1.45 -2.42 113.55 113.79 1p3y h SER 21 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1p3y h SER 21 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1p3y h SER 21 CO 0.00 0.25 -0.04 0.58 -1.14 0.00 0.00 176.83 176.48 1p3y h VAL 22 N 0.00 0.95 -0.46 2.27 2.07 -1.47 -0.70 116.25 118.91 1p3y h VAL 22 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1p3y h VAL 22 Cb 0.63 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1p3y h VAL 22 CO 0.03 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1p3y n GLY 23 N -1.38 1.26 0.35 2.17 0.00 -0.91 -4.55 105.19 102.13 1p3y n GLY 23 Ca -0.03 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1p3y n GLY 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1p3y h ILE 24 N 2.95 0.04 -0.14 -0.61 6.09 -1.18 -1.57 117.51 123.10 1p3y h ILE 24 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1p3y h ILE 24 Cb 0.67 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1p3y h ILE 24 CO 0.00 0.00 -0.04 0.77 -3.07 0.00 0.00 178.15 175.81 1p3y h SER 25 N 0.00 0.18 -0.67 2.19 4.64 -1.84 -0.85 113.55 117.20 1p3y h SER 25 Ca 0.04 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1p3y h SER 25 Cb 1.09 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1p3y h SER 25 CO -0.00 0.26 0.38 0.28 -0.87 0.00 0.00 176.83 176.88 1p3y h SER 26 N 0.20 0.58 -0.00 4.97 0.02 -1.67 0.41 113.55 118.06 1p3y h SER 26 Ca 0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1p3y h SER 26 Cb 0.20 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1p3y h SER 26 CO 0.01 0.38 -0.10 1.88 -1.14 0.00 0.00 176.83 177.85 1p3y h TYR 27 N 0.71 0.11 -0.54 3.45 -1.99 -1.63 -2.92 116.97 114.17 1p3y h TYR 27 Ca 0.30 -0.06 0.08 0.00 2.00 0.00 0.00 58.73 61.05 1p3y h TYR 27 Cb 0.16 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.81 1p3y h TYR 27 CO -0.07 0.83 0.17 -0.07 -0.00 0.00 0.00 178.16 179.01 1p3y h LEU 28 N -0.63 0.13 -0.61 3.88 4.07 -0.89 -0.28 115.31 120.99 1p3y h LEU 28 Ca -0.01 0.08 -0.15 0.00 0.08 0.00 0.00 57.88 57.87 1p3y h LEU 28 Cb 0.85 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1p3y h LEU 28 CO 0.02 0.09 -0.60 -0.07 -1.08 0.00 0.00 178.44 176.81 1p3y h LEU 29 N 0.33 0.36 -0.58 1.67 3.38 -0.30 -2.72 115.31 117.46 1p3y h LEU 29 Ca 0.27 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1p3y h LEU 29 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1p3y h LEU 29 CO -0.29 0.88 -0.38 0.22 0.09 0.00 0.00 178.44 178.95 1p3y h TYR 30 N 0.24 0.84 0.00 1.13 3.20 -1.21 -3.04 116.97 118.13 1p3y h TYR 30 Ca -0.00 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1p3y h TYR 30 Cb 1.11 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1p3y h TYR 30 CO 0.03 0.98 0.00 0.74 -1.64 0.00 0.00 178.16 178.27 1p3y h PHE 31 N 0.59 0.00 -0.86 -3.82 0.04 -1.01 -3.34 116.94 108.54 1p3y h PHE 31 Ca 0.05 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.96 1p3y h PHE 31 Cb 0.92 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.00 1p3y h PHE 31 CO 0.05 0.00 0.56 -0.22 -0.60 0.00 0.00 178.31 178.09 1p3y h LYS 32 N 0.00 0.63 0.00 1.51 3.64 -1.36 -2.21 116.57 118.78 1p3y h LYS 32 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p3y h LYS 32 Cb 0.73 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1p3y h LYS 32 CO 0.00 0.42 -0.28 -1.13 -2.27 0.00 0.00 179.45 176.18 1p3y n SER 33 N -4.54 0.43 0.00 4.20 3.41 -1.25 -4.06 113.62 111.81 1p3y n SER 33 Ca 0.16 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1p3y n SER 33 Cb 0.47 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 1p3y n SER 33 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1p3y n PHE 34 N -1.75 0.09 -4.39 7.33 3.01 -0.85 -4.94 117.46 115.96 1p3y n PHE 34 Ca 0.06 0.03 -0.25 0.00 1.01 0.00 0.00 57.45 58.30 1p3y n PHE 34 Cb 0.37 -0.47 -0.09 0.00 -0.01 0.00 0.00 39.48 39.28 1p3y n PHE 34 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1p3y s PHE 35 N -3.42 2.46 0.17 1.38 0.40 -1.11 -0.64 117.98 117.21 1p3y s PHE 35 Ca -0.05 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 1p3y s PHE 35 Cb 0.14 -1.11 0.07 0.00 0.51 0.00 0.00 43.02 42.62 1p3y s PHE 35 CO 0.89 0.63 1.70 -0.22 0.70 0.00 0.00 175.22 178.92 1p3y h LYS 36 N 2.39 0.91 -1.90 0.44 3.64 -0.80 -3.46 116.57 117.80 1p3y h LYS 36 Ca -0.43 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 1p3y h LYS 36 Cb 1.24 -0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.72 1p3y h LYS 36 CO 0.57 0.82 0.24 -2.00 -2.27 0.00 0.00 179.45 176.81 1p3y s GLU 37 N -5.41 0.83 -0.08 1.90 2.12 -1.22 -5.00 118.70 111.84 1p3y s GLU 37 Ca -0.13 0.65 0.02 0.00 0.36 0.00 0.00 54.97 55.87 1p3y s GLU 37 Cb 0.13 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.93 1p3y s GLU 37 CO 0.81 -0.17 -0.12 0.42 -0.54 0.00 0.00 175.26 175.65 1p3y s ILE 38 N -0.22 1.23 0.28 -3.70 1.01 -1.26 -0.84 121.20 117.70 1p3y s ILE 38 Ca -0.03 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1p3y s ILE 38 Cb -0.03 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 1p3y s ILE 38 CO 0.02 0.38 -0.07 -0.13 0.00 0.00 0.00 174.94 175.15 1p3y s ARG 39 N 0.90 1.56 0.08 2.79 0.52 -0.09 -1.02 118.95 123.69 1p3y s ARG 39 Ca -0.10 -1.79 0.07 0.00 -0.52 0.00 0.00 55.73 53.39 1p3y s ARG 39 Cb -0.15 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 1p3y s ARG 39 CO 0.01 0.06 -0.17 0.08 0.02 0.00 0.00 175.30 175.30 1p3y s VAL 40 N -2.96 1.39 -0.07 3.52 1.01 0.75 -0.90 120.40 123.14 1p3y s VAL 40 Ca 0.29 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1p3y s VAL 40 Cb 0.03 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1p3y s VAL 40 CO 0.12 -0.11 -0.08 0.54 0.00 0.00 0.00 175.10 175.57 1p3y s VAL 41 N -1.16 0.84 0.28 2.92 0.11 -0.28 0.15 120.40 123.25 1p3y s VAL 41 Ca 0.02 -0.27 0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1p3y s VAL 41 Cb -0.10 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1p3y s VAL 41 CO 0.03 0.30 -0.10 -0.04 -3.33 0.00 0.00 175.10 171.96 1p3y s MET 42 N 1.07 1.97 0.33 1.54 -1.94 -0.70 -0.49 119.30 121.07 1p3y s MET 42 Ca -0.08 -1.62 0.05 0.00 -1.71 0.00 0.00 55.69 52.33 1p3y s MET 42 Cb -0.14 -1.95 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 1p3y s MET 42 CO -0.01 0.33 0.48 0.95 -0.01 0.00 0.00 175.02 176.76 1p3y s THR 43 N -2.43 4.49 0.18 2.05 -4.23 -0.73 -3.88 115.64 111.09 1p3y s THR 43 Ca 0.31 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 1p3y s THR 43 Cb -0.05 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1p3y s THR 43 CO 0.17 -0.27 1.72 0.50 -0.54 0.00 0.00 174.62 176.20 1p3y h LYS 44 N 0.88 0.22 -0.82 3.99 3.11 -1.99 -1.78 116.57 120.18 1p3y h LYS 44 Ca -0.48 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.33 1p3y h LYS 44 Cb 1.25 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.39 1p3y h LYS 44 CO 0.56 0.14 0.43 1.15 -2.81 0.00 0.00 179.45 178.93 1p3y h THR 45 N 0.22 1.25 -0.56 1.00 2.02 -1.95 -1.82 112.91 113.07 1p3y h THR 45 Ca 0.24 -0.64 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1p3y h THR 45 Cb 0.32 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1p3y h THR 45 CO -0.32 0.28 0.34 0.00 0.37 0.00 0.00 175.52 176.20 1p3y h ALA 46 N 1.23 0.71 -0.36 6.16 0.00 -1.61 -2.49 119.26 122.91 1p3y h ALA 46 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1p3y h ALA 46 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1p3y h ALA 46 CO -0.04 0.07 0.04 0.93 0.00 0.00 0.00 179.25 180.25 1p3y h GLU 47 N 0.68 0.53 -0.00 0.00 5.08 -0.81 0.20 114.58 120.26 1p3y h GLU 47 Ca 0.22 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1p3y h GLU 47 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1p3y h GLU 47 CO -0.09 0.53 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.67 1p3y h ASP 48 N 0.52 0.01 0.05 1.42 3.32 -0.93 -2.92 116.42 117.89 1p3y h ASP 48 Ca 0.12 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1p3y h ASP 48 Cb 0.27 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1p3y h ASP 48 CO 0.00 0.35 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.48 1p3y h LEU 49 N 0.01 0.21 -7.12 1.55 3.38 -0.95 -3.44 115.31 108.94 1p3y h LEU 49 Ca -0.00 -0.93 -0.44 0.00 0.09 0.00 0.00 57.88 56.60 1p3y h LEU 49 Cb 0.61 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 40.89 1p3y h LEU 49 CO 0.04 1.12 -0.75 -0.51 0.09 0.00 0.00 178.44 178.44 1p3y s ILE 50 N -2.51 -0.08 0.30 1.22 2.07 -0.01 -4.96 121.20 117.23 1p3y s ILE 50 Ca -0.16 -0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 58.77 1p3y s ILE 50 Cb -0.01 -0.48 -0.14 0.00 0.13 0.00 0.00 42.46 41.96 1p3y s ILE 50 CO 0.75 -0.17 0.90 -2.65 -1.91 0.00 0.00 174.94 171.87 1p3y n PRO 51 N 5.28 1.10 -0.28 3.50 -0.02 -1.11 -4.11 135.00 139.36 1p3y n PRO 51 Ca -0.06 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1p3y n PRO 51 Cb 0.49 -1.71 0.31 0.00 -0.02 0.00 0.00 33.50 32.57 1p3y n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p3y h ALA 52 N 1.72 1.66 -0.07 3.55 0.00 -1.93 0.21 119.26 124.40 1p3y h ALA 52 Ca -0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1p3y h ALA 52 Cb 1.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1p3y h ALA 52 CO 0.59 0.15 -0.15 0.45 0.00 0.00 0.00 179.25 180.30 1p3y h HIS 53 N 0.86 0.11 0.16 0.00 3.86 -1.98 -0.75 115.15 117.41 1p3y h HIS 53 Ca 0.41 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1p3y h HIS 53 Cb 0.44 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1p3y h HIS 53 CO -0.00 0.25 -0.08 1.15 0.86 0.00 0.00 177.93 180.11 1p3y h THR 54 N 0.10 0.95 -0.03 2.45 2.02 -1.33 -2.86 112.91 114.22 1p3y h THR 54 Ca 0.02 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1p3y h THR 54 Cb 0.33 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1p3y h THR 54 CO 0.02 0.20 0.14 0.58 0.37 0.00 0.00 175.52 176.84 1p3y h VAL 55 N -0.71 0.09 0.00 3.16 2.07 -0.93 -0.61 116.25 119.31 1p3y h VAL 55 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1p3y h VAL 55 Cb 0.50 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1p3y h VAL 55 CO 0.04 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.09 1p3y n SER 56 N -3.15 0.55 0.00 0.57 3.41 -0.32 -2.05 113.62 112.63 1p3y n SER 56 Ca -0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1p3y n SER 56 Cb 0.21 -0.73 0.64 0.00 -0.26 0.00 0.00 64.21 64.07 1p3y n SER 56 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1p3y n TYR 57 N -2.07 0.00 -0.64 7.33 4.02 -0.24 -3.65 117.16 121.91 1p3y n TYR 57 Ca 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.99 1p3y n TYR 57 Cb 0.29 -0.41 0.09 0.00 -0.02 0.00 0.00 39.34 39.28 1p3y n TYR 57 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1p3y n PHE 58 N -1.41 0.01 -3.84 -0.72 3.01 -0.87 -5.06 117.46 108.59 1p3y n PHE 58 Ca 0.09 -0.80 -0.07 0.00 1.01 0.00 0.00 57.45 57.69 1p3y n PHE 58 Cb 0.28 -0.11 0.02 0.00 -0.01 0.00 0.00 39.48 39.66 1p3y n PHE 58 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p3y h ASP 60 N 2.00 0.00 -3.90 0.00 3.45 -1.37 -3.46 116.42 113.15 1p3y h ASP 60 Ca -0.30 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.23 1p3y h ASP 60 Cb 1.24 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.77 1p3y h ASP 60 CO 0.39 0.90 0.51 -2.28 -1.57 0.00 0.00 179.24 177.18 1p3y s HIS 61 N -2.76 -0.41 -0.17 4.55 5.04 -1.26 -5.03 115.29 115.26 1p3y s HIS 61 Ca 0.01 0.79 0.01 0.00 -1.54 0.00 0.00 55.06 54.33 1p3y s HIS 61 Cb 0.09 0.43 0.03 0.00 0.04 0.00 0.00 32.58 33.17 1p3y s HIS 61 CO 0.81 -0.32 -0.15 0.08 -2.34 0.00 0.00 174.74 172.81 1p3y s VAL 62 N -0.75 1.76 -0.26 0.89 1.01 -1.26 -0.18 120.40 121.61 1p3y s VAL 62 Ca -0.01 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1p3y s VAL 62 Cb -0.02 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1p3y s VAL 62 CO -0.00 0.42 0.49 -0.31 0.00 0.00 0.00 175.10 175.71 1p3y s TYR 63 N 1.40 3.26 0.19 5.22 1.51 0.39 -4.97 117.35 124.36 1p3y s TYR 63 Ca 0.04 0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 56.67 1p3y s TYR 63 Cb -0.14 -2.70 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 1p3y s TYR 63 CO -0.11 -0.28 0.39 0.45 -1.11 0.00 0.00 175.55 174.89 1p3y s SER 64 N 1.56 6.41 0.44 2.29 0.15 -1.26 -1.72 113.70 121.57 1p3y s SER 64 Ca 0.20 0.45 0.15 0.00 0.70 0.00 0.00 55.95 57.45 1p3y s SER 64 Cb -0.16 -2.03 0.98 0.00 -1.71 0.00 0.00 66.02 63.11 1p3y s SER 64 CO 0.09 -0.02 1.98 -0.08 1.20 0.00 0.00 173.24 176.41 1p3y h GLU 65 N 2.20 0.00 0.00 5.44 4.57 -1.92 -1.47 114.58 123.40 1p3y h GLU 65 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1p3y h GLU 65 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1p3y h GLU 65 CO 0.69 0.20 0.00 0.72 -1.18 0.00 0.00 179.01 179.44 1p3y n HIS 66 N -4.28 0.00 -4.23 0.92 8.25 -1.26 -4.87 115.22 109.75 1p3y n HIS 66 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1p3y n HIS 66 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1p3y n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p3y n GLY 67 N 0.74 -0.62 0.12 -1.41 0.00 -0.56 -4.37 105.19 99.09 1p3y n GLY 67 Ca 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1p3y n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p3y n GLU 68 N 0.00 0.00 -1.78 1.61 2.13 -0.81 -4.42 120.64 117.36 1p3y n GLU 68 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1p3y n GLU 68 Cb 0.00 -0.08 0.04 0.00 0.27 0.00 0.00 31.44 31.67 1p3y n GLU 68 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1p3y n ASN 69 N -1.64 6.35 0.00 4.31 3.02 -1.26 -4.76 115.26 121.27 1p3y n ASN 69 Ca 0.00 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1p3y n ASN 69 Cb 0.00 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1p3y n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p3y n GLY 70 N -0.75 0.64 3.52 7.41 0.00 -1.26 -5.05 105.19 109.71 1p3y n GLY 70 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 1p3y n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p3y s LYS 71 N -0.75 3.79 0.29 1.61 2.20 -1.26 -4.97 119.74 120.66 1p3y s LYS 71 Ca 0.00 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 1p3y s LYS 71 Cb 0.00 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1p3y s LYS 71 CO 0.00 -0.03 1.53 1.03 -0.36 0.00 0.00 175.35 177.52 1p3y s ARG 72 N 1.21 4.17 0.69 4.03 1.81 -1.26 -1.93 118.95 127.67 1p3y s ARG 72 Ca 0.05 2.49 -0.15 0.00 -1.72 0.00 0.00 55.73 56.40 1p3y s ARG 72 Cb -0.14 -3.04 0.02 0.00 -0.45 0.00 0.00 34.95 31.33 1p3y s ARG 72 CO 0.04 -0.55 1.15 -1.01 -0.68 0.00 0.00 175.30 174.25 1p3y s HIS 73 N -0.20 2.37 -0.19 -0.53 3.76 -1.26 -4.93 115.29 114.31 1p3y s HIS 73 Ca 0.60 1.58 -0.22 0.00 -0.15 0.00 0.00 55.06 56.87 1p3y s HIS 73 Cb -0.46 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 29.92 1p3y s HIS 73 CO 0.49 -2.08 0.69 0.45 -0.85 0.00 0.00 174.74 173.44 1p3y s SER 74 N -2.36 6.77 0.20 1.40 0.15 -1.26 -4.95 113.70 113.64 1p3y s SER 74 Ca 0.70 0.94 -0.05 0.00 0.70 0.00 0.00 55.95 58.24 1p3y s SER 74 Cb -0.24 -2.38 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 1p3y s SER 74 CO 0.43 -0.30 1.57 1.12 1.20 0.00 0.00 173.24 177.26 1p3y h HIS 75 N 7.42 0.86 -0.21 3.44 2.07 -1.94 -0.04 115.15 126.75 1p3y h HIS 75 Ca -0.31 -0.24 -0.15 0.00 -2.85 0.00 0.00 60.37 56.82 1p3y h HIS 75 Cb 1.14 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.92 1p3y h HIS 75 CO 0.71 0.97 -0.50 -0.39 -3.07 0.00 0.00 177.93 175.66 1p3y h VAL 76 N 0.61 1.31 -0.06 6.12 -1.51 -1.92 0.59 116.25 121.39 1p3y h VAL 76 Ca 0.06 -1.72 -0.02 0.00 -1.23 0.00 0.00 66.70 63.79 1p3y h VAL 76 Cb 0.88 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1p3y h VAL 76 CO 0.08 0.54 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.57 1p3y h GLU 77 N 0.44 0.14 -0.02 5.19 4.39 -1.90 0.21 114.58 123.03 1p3y h GLU 77 Ca 0.02 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 1p3y h GLU 77 Cb 1.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1p3y h GLU 77 CO 0.09 0.57 -0.77 -0.84 -1.16 0.00 0.00 179.01 176.90 1p3y h ILE 78 N -0.29 1.46 -0.63 3.13 3.07 -1.00 0.11 117.51 123.36 1p3y h ILE 78 Ca 0.01 -2.39 -0.04 0.00 1.55 0.00 0.00 64.86 63.98 1p3y h ILE 78 Cb 0.55 2.30 -0.03 0.00 -0.27 0.00 0.00 36.82 39.37 1p3y h ILE 78 CO 0.01 0.70 0.22 1.23 -1.05 0.00 0.00 178.15 179.26 1p3y h GLY 79 N 1.74 1.03 1.52 0.16 0.00 0.21 -2.64 103.07 105.09 1p3y h GLY 79 Ca -0.03 -0.59 -0.27 0.00 0.00 0.00 0.00 47.33 46.44 1p3y h GLY 79 CO 0.12 0.55 -1.19 3.21 0.00 0.00 0.00 176.54 179.23 1p3y h ARG 80 N 0.89 0.38 -0.72 4.80 3.08 -0.87 -3.32 114.38 118.63 1p3y h ARG 80 Ca 0.20 -0.56 0.11 0.00 0.07 0.00 0.00 59.98 59.81 1p3y h ARG 80 Cb 0.26 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 1p3y h ARG 80 CO -0.01 1.24 0.32 2.35 -1.07 0.00 0.00 179.97 182.80 1p3y h TRP 81 N 0.15 0.57 -3.81 3.04 7.01 -0.69 -3.42 115.95 118.79 1p3y h TRP 81 Ca -0.14 0.03 -0.48 0.00 2.11 0.00 0.00 58.89 60.41 1p3y h TRP 81 Cb 1.88 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.78 1p3y h TRP 81 CO 0.08 0.15 0.32 0.00 -2.79 0.00 0.00 178.44 176.20 1p3y s ALA 82 N -6.05 3.27 -0.13 2.65 0.00 -1.00 -4.81 121.76 115.69 1p3y s ALA 82 Ca -0.13 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1p3y s ALA 82 Cb 0.19 -3.15 -0.24 0.00 0.00 0.00 0.00 23.12 19.92 1p3y s ALA 82 CO 0.76 0.20 0.33 -0.25 0.00 0.00 0.00 175.76 176.80 1p3y n ASP 83 N 0.83 1.44 -4.02 0.00 8.00 0.16 -4.88 116.55 118.08 1p3y n ASP 83 Ca 0.00 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.46 1p3y n ASP 83 Cb 0.49 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 1p3y n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1p3y s ILE 84 N -2.56 1.10 -0.23 0.53 1.01 -0.72 -4.89 121.20 115.45 1p3y s ILE 84 Ca -0.17 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1p3y s ILE 84 Cb 0.07 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.57 1p3y s ILE 84 CO 0.77 0.35 -0.11 -0.47 0.00 0.00 0.00 174.94 175.47 1p3y s TYR 85 N 0.59 3.05 -0.11 3.97 5.04 -1.26 -0.88 117.35 127.75 1p3y s TYR 85 Ca -0.13 -1.83 0.02 0.00 -2.44 0.00 0.00 57.07 52.69 1p3y s TYR 85 Cb -0.15 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.19 1p3y s TYR 85 CO 0.03 -0.80 -0.17 0.00 -1.34 0.00 0.00 175.55 173.27 1p3y s ILE 87 N 0.85 5.10 -0.12 0.00 1.01 -0.52 -1.19 121.20 126.33 1p3y s ILE 87 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1p3y s ILE 87 Cb -0.15 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1p3y s ILE 87 CO -0.00 -0.32 0.23 -0.51 0.00 0.00 0.00 174.94 174.34 1p3y s ILE 88 N 1.65 -0.36 0.40 2.92 2.07 -0.54 -1.02 121.20 126.31 1p3y s ILE 88 Ca 0.04 0.30 -0.09 0.00 -1.41 0.00 0.00 60.65 59.49 1p3y s ILE 88 Cb -0.19 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 41.94 1p3y s ILE 88 CO 0.09 0.12 0.74 -2.16 -1.91 0.00 0.00 174.94 171.82 1p3y s PRO 89 N 2.38 3.72 -0.15 3.50 0.04 -1.26 -4.41 135.00 138.82 1p3y s PRO 89 Ca 0.02 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.37 1p3y s PRO 89 Cb -0.12 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1p3y s PRO 89 CO -0.08 -0.03 0.05 0.00 0.04 0.00 0.00 177.00 176.98 1p3y s ALA 90 N -2.39 3.40 0.51 8.56 0.00 -0.87 -1.97 121.76 129.00 1p3y s ALA 90 Ca 0.50 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1p3y s ALA 90 Cb -0.10 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1p3y s ALA 90 CO 0.33 0.33 0.76 0.95 0.00 0.00 0.00 175.76 178.13 1p3y s THR 91 N -0.10 3.63 0.22 0.00 -4.23 -1.26 -1.70 115.64 112.19 1p3y s THR 91 Ca 0.06 -0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1p3y s THR 91 Cb -0.12 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.51 1p3y s THR 91 CO 0.01 -0.30 1.86 0.00 -0.54 0.00 0.00 174.62 175.66 1p3y h ALA 92 N 0.16 0.99 0.11 3.99 0.00 -1.96 -1.23 119.26 121.32 1p3y h ALA 92 Ca -0.45 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1p3y h ALA 92 Cb 1.26 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1p3y h ALA 92 CO 0.57 0.30 -0.36 -0.97 0.00 0.00 0.00 179.25 178.80 1p3y h ASN 93 N 0.96 -1.05 -1.00 0.00 -1.24 -1.98 0.35 115.58 111.62 1p3y h ASN 93 Ca 0.30 0.12 0.06 0.00 0.71 0.00 0.00 56.30 57.49 1p3y h ASN 93 Cb -0.01 0.40 -0.07 0.00 0.73 0.00 0.00 38.32 39.37 1p3y h ASN 93 CO -0.10 -0.44 0.65 0.40 -1.29 0.00 0.00 177.43 176.65 1p3y h ILE 94 N -0.58 1.10 -0.30 2.57 1.08 -1.85 0.23 117.51 119.76 1p3y h ILE 94 Ca 0.03 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1p3y h ILE 94 Cb 0.62 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1p3y h ILE 94 CO -0.22 0.22 0.17 -0.07 -0.69 0.00 0.00 178.15 177.55 1p3y h LEU 95 N 1.19 0.38 -1.18 1.44 3.38 -0.47 0.23 115.31 120.27 1p3y h LEU 95 Ca 0.43 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1p3y h LEU 95 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1p3y h LEU 95 CO -0.17 0.35 -0.00 1.23 0.09 0.00 0.00 178.44 179.94 1p3y h GLY 96 N 0.37 0.60 0.47 0.83 0.00 0.78 0.06 103.07 106.18 1p3y h GLY 96 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1p3y h GLY 96 CO -0.02 0.34 -0.11 1.46 0.00 0.00 0.00 176.54 178.21 1p3y h GLN 97 N 0.54 0.13 -0.51 4.80 4.20 -0.24 -3.00 115.11 121.02 1p3y h GLN 97 Ca 0.11 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1p3y h GLN 97 Cb 0.35 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1p3y h GLN 97 CO 0.01 0.74 -0.16 1.79 -0.67 0.00 0.00 178.83 180.55 1p3y h THR 98 N -0.46 1.27 -0.11 -0.54 1.35 -0.89 0.81 112.91 114.33 1p3y h THR 98 Ca -0.01 -1.32 0.01 0.00 -0.55 0.00 0.00 66.41 64.55 1p3y h THR 98 Cb 0.76 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1p3y h THR 98 CO 0.02 0.46 0.08 0.00 -0.25 0.00 0.00 175.52 175.83 1p3y h ALA 99 N 0.93 1.99 -0.45 6.62 0.00 -1.06 -2.84 119.26 124.45 1p3y h ALA 99 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p3y h ALA 99 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1p3y h ALA 99 CO 0.06 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1p3y n ASN 100 N -4.52 3.20 -0.59 0.00 3.02 -0.97 -4.84 115.26 110.55 1p3y n ASN 100 Ca -0.01 -1.99 -0.06 0.00 -0.03 0.00 0.00 54.58 52.49 1p3y n ASN 100 Cb 0.13 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1p3y n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p3y n GLY 101 N 0.84 0.54 3.86 7.41 0.00 -0.71 -5.03 105.19 112.11 1p3y n GLY 101 Ca 0.15 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1p3y n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3y s VAL 102 N -2.27 5.40 -0.38 1.61 1.01 0.20 -5.03 120.40 120.94 1p3y s VAL 102 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1p3y s VAL 102 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 36.38 33.18 1p3y s VAL 102 CO 0.00 0.60 0.33 0.00 0.00 0.00 0.00 175.10 176.03 1p3y s ALA 103 N -1.04 0.20 -2.55 5.51 0.00 -1.26 -4.09 121.76 118.53 1p3y s ALA 103 Ca 0.16 -1.45 0.26 0.00 0.00 0.00 0.00 51.96 50.92 1p3y s ALA 103 Cb -0.12 -1.87 0.60 0.00 0.00 0.00 0.00 23.12 21.74 1p3y s ALA 103 CO 0.05 -2.12 1.49 -1.33 0.00 0.00 0.00 175.76 173.84 1p3y n MET 104 N 3.94 1.77 -4.09 0.00 2.81 -1.26 -4.73 117.12 115.56 1p3y n MET 104 Ca 0.14 -1.26 -0.10 0.00 -1.81 0.00 0.00 57.70 54.67 1p3y n MET 104 Cb 0.43 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 1p3y n MET 104 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1p3y s ASN 105 N -2.10 0.11 0.28 7.83 2.20 -1.26 -5.06 114.94 116.94 1p3y s ASN 105 Ca 0.31 -1.13 -0.03 0.00 -0.94 0.00 0.00 52.86 51.08 1p3y s ASN 105 Cb 0.20 0.42 0.39 0.00 -2.00 0.00 0.00 41.25 40.26 1p3y s ASN 105 CO 0.37 -0.89 1.92 0.25 -2.94 0.00 0.00 177.10 175.81 1p3y h LEU 106 N 2.58 0.96 -0.26 3.54 5.85 -1.92 -1.59 115.31 124.47 1p3y h LEU 106 Ca -0.33 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1p3y h LEU 106 Cb 1.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1p3y h LEU 106 CO 0.50 0.74 0.04 0.58 -0.34 0.00 0.00 178.44 179.96 1p3y h VAL 107 N 1.09 0.87 -0.14 1.05 2.07 -1.92 0.15 116.25 119.42 1p3y h VAL 107 Ca 0.28 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.62 1p3y h VAL 107 Cb -0.03 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1p3y h VAL 107 CO -0.05 0.02 -0.49 0.00 0.02 0.00 0.00 177.57 177.07 1p3y h ALA 108 N 1.19 0.89 -0.37 1.67 0.00 -1.87 -3.08 119.26 117.69 1p3y h ALA 108 Ca 0.12 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1p3y h ALA 108 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1p3y h ALA 108 CO -0.16 0.66 -0.18 1.15 0.00 0.00 0.00 179.25 180.72 1p3y h THR 109 N 0.30 1.28 -0.53 0.00 2.02 -0.77 -2.90 112.91 112.31 1p3y h THR 109 Ca 0.01 -1.31 0.05 0.00 0.77 0.00 0.00 66.41 65.93 1p3y h THR 109 Cb 0.98 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1p3y h THR 109 CO 0.08 0.43 0.35 0.74 0.37 0.00 0.00 175.52 177.50 1p3y h THR 110 N 0.57 1.02 -0.60 3.16 2.02 -0.68 -0.84 112.91 117.56 1p3y h THR 110 Ca 0.08 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1p3y h THR 110 Cb 0.73 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1p3y h THR 110 CO 0.05 0.10 0.33 0.58 0.37 0.00 0.00 175.52 176.95 1p3y h VAL 111 N 0.55 0.96 0.00 3.16 2.07 -1.43 0.12 116.25 121.68 1p3y h VAL 111 Ca 0.22 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1p3y h VAL 111 Cb 0.20 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1p3y h VAL 111 CO -0.06 0.11 -0.51 -0.07 0.02 0.00 0.00 177.57 177.06 1p3y h LEU 112 N 0.61 0.00 -0.15 2.57 3.38 -1.23 -3.18 115.31 117.31 1p3y h LEU 112 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1p3y h LEU 112 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1p3y h LEU 112 CO -0.17 0.51 -0.38 0.00 0.09 0.00 0.00 178.44 178.49 1p3y n ALA 113 N -2.41 3.30 -2.71 1.53 0.00 -0.49 -4.85 120.51 114.88 1p3y n ALA 113 Ca -0.01 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1p3y n ALA 113 Cb 0.54 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1p3y n ALA 113 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1p3y s HIS 114 N -2.83 3.60 0.33 0.00 5.04 0.30 -4.28 115.29 117.45 1p3y s HIS 114 Ca 0.16 1.53 0.06 0.00 -1.54 0.00 0.00 55.06 55.27 1p3y s HIS 114 Cb 0.18 -3.04 0.71 0.00 0.04 0.00 0.00 32.58 30.48 1p3y s HIS 114 CO 0.63 -0.03 1.86 -1.00 -2.34 0.00 0.00 174.74 173.85 1p3y h PRO 115 N 6.88 0.79 -6.78 2.88 0.13 -1.89 -3.44 132.00 130.56 1p3y h PRO 115 Ca -0.39 -0.05 -0.49 0.00 -0.87 0.00 0.00 66.00 64.21 1p3y h PRO 115 Cb 1.20 -0.18 0.04 0.00 0.13 0.00 0.00 31.00 32.19 1p3y h PRO 115 CO 0.77 0.52 -0.03 -1.01 -0.23 0.00 0.00 178.00 178.02 1p3y s HIS 116 N -5.79 1.35 0.71 1.56 3.76 -1.26 -5.10 115.29 110.52 1p3y s HIS 116 Ca -0.11 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.06 1p3y s HIS 116 Cb 0.22 -2.41 0.02 0.00 1.11 0.00 0.00 32.58 31.51 1p3y s HIS 116 CO 0.80 -1.36 1.07 -0.80 -0.85 0.00 0.00 174.74 173.60 1p3y s ASN 117 N -4.71 5.31 -0.06 1.40 0.02 -1.26 -5.03 114.94 110.62 1p3y s ASN 117 Ca 0.64 1.39 0.01 0.00 -1.02 0.00 0.00 52.86 53.87 1p3y s ASN 117 Cb -0.05 -2.24 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 1p3y s ASN 117 CO 0.41 -1.46 -0.06 -0.89 0.02 0.00 0.00 177.10 175.12 1p3y s THR 118 N -3.17 3.78 -0.23 1.60 2.01 -1.26 -4.66 115.64 113.71 1p3y s THR 118 Ca 0.58 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1p3y s THR 118 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1p3y s THR 118 CO 0.54 0.56 0.16 -0.51 -0.69 0.00 0.00 174.62 174.67 1p3y s ILE 119 N -0.86 5.37 -0.06 1.82 2.07 -0.92 -2.19 121.20 126.43 1p3y s ILE 119 Ca 0.14 0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1p3y s ILE 119 Cb -0.11 -3.50 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 1p3y s ILE 119 CO 0.03 0.37 0.05 -0.36 -1.91 0.00 0.00 174.94 173.12 1p3y s PHE 120 N 0.88 3.27 -0.67 3.50 0.40 0.13 -1.44 117.98 124.05 1p3y s PHE 120 Ca 0.08 0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.71 1p3y s PHE 120 Cb -0.13 -1.79 0.19 0.00 0.51 0.00 0.00 43.02 41.80 1p3y s PHE 120 CO 0.03 0.54 0.55 1.19 0.70 0.00 0.00 175.22 178.23 1p3y n PHE 121 N 1.79 3.04 -1.42 0.36 3.01 -0.19 -0.33 117.46 123.73 1p3y n PHE 121 Ca -0.17 -4.20 -0.37 0.00 1.01 0.00 0.00 57.45 53.72 1p3y n PHE 121 Cb 0.54 -0.55 0.07 0.00 -0.01 0.00 0.00 39.48 39.52 1p3y n PHE 121 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1p3y n PRO 122 N 1.71 0.55 -3.61 -1.08 -0.02 -1.25 -2.04 135.00 129.27 1p3y n PRO 122 Ca 0.23 0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1p3y n PRO 122 Cb 0.38 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1p3y n PRO 122 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1p3y s ASN 123 N -1.45 -0.99 0.19 2.55 3.84 -0.69 -4.41 114.94 113.98 1p3y s ASN 123 Ca 0.72 1.40 -0.23 0.00 0.21 0.00 0.00 52.86 54.96 1p3y s ASN 123 Cb -0.37 1.98 0.07 0.00 -0.55 0.00 0.00 41.25 42.37 1p3y s ASN 123 CO 0.51 -0.20 1.00 0.00 -2.79 0.00 0.00 177.10 175.62 1p3y s MET 124 N 2.51 1.33 0.42 0.43 0.23 -1.26 -4.55 119.30 118.41 1p3y s MET 124 Ca -0.06 -0.82 -0.25 0.00 -1.03 0.00 0.00 55.69 53.52 1p3y s MET 124 Cb -0.09 0.40 -0.08 0.00 -1.53 0.00 0.00 34.83 33.52 1p3y s MET 124 CO -0.19 -0.62 1.30 1.21 -2.03 0.00 0.00 175.02 174.69 1p3y s ASN 125 N -3.23 6.22 0.36 -1.18 2.47 -1.26 -4.78 114.94 113.54 1p3y s ASN 125 Ca 0.18 2.64 0.08 0.00 0.42 0.00 0.00 52.86 56.18 1p3y s ASN 125 Cb -0.02 -2.64 0.78 0.00 -1.45 0.00 0.00 41.25 37.92 1p3y s ASN 125 CO 0.05 -0.91 1.92 0.44 -3.72 0.00 0.00 177.10 174.87 1p3y h ASP 126 N 2.54 0.65 -0.41 -4.21 3.32 -1.98 0.21 116.42 116.54 1p3y h ASP 126 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1p3y h ASP 126 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1p3y h ASP 126 CO 0.62 0.38 0.27 -0.07 -1.72 0.00 0.00 179.24 178.72 1p3y h LEU 127 N 0.72 0.48 -0.66 1.55 3.38 -1.99 -1.65 115.31 117.14 1p3y h LEU 127 Ca 0.38 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1p3y h LEU 127 Cb 0.49 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1p3y h LEU 127 CO -0.15 0.36 0.11 0.24 0.09 0.00 0.00 178.44 179.09 1p3y h MET 128 N 0.56 1.10 -0.03 1.13 2.86 -1.42 -2.85 114.93 116.27 1p3y h MET 128 Ca 0.15 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1p3y h MET 128 Cb -0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1p3y h MET 128 CO -0.03 1.01 -0.11 2.35 1.06 0.00 0.00 176.91 181.19 1p3y h TRP 129 N 1.02 0.05 -0.09 -0.22 2.91 -0.22 -2.35 115.95 117.04 1p3y h TRP 129 Ca 0.20 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1p3y h TRP 129 Cb 0.44 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1p3y h TRP 129 CO 0.03 0.16 0.00 0.09 -1.03 0.00 0.00 178.44 177.69 1p3y n ASN 130 N -4.39 1.38 -4.74 2.65 3.02 -0.66 -4.67 115.26 107.85 1p3y n ASN 130 Ca -0.02 -1.58 -0.41 0.00 -0.03 0.00 0.00 54.58 52.54 1p3y n ASN 130 Cb 0.20 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1p3y n ASN 130 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1p3y s LYS 131 N -1.89 4.50 0.18 3.52 -0.14 -0.89 -4.95 119.74 120.08 1p3y s LYS 131 Ca 0.35 1.90 -0.20 0.00 -1.36 0.00 0.00 55.97 56.66 1p3y s LYS 131 Cb 0.18 -3.21 0.12 0.00 -1.68 0.00 0.00 37.83 33.24 1p3y s LYS 131 CO 0.29 -0.05 1.61 1.15 -0.76 0.00 0.00 175.35 177.59 1p3y h THR 132 N 3.56 0.27 -0.74 2.17 2.02 -1.90 -2.40 112.91 115.90 1p3y h THR 132 Ca -0.45 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.85 1p3y h THR 132 Cb 1.21 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 1p3y h THR 132 CO 0.72 0.00 0.34 -0.37 0.37 0.00 0.00 175.52 176.58 1p3y h VAL 133 N -0.16 0.75 0.17 3.16 -1.51 -1.95 -0.14 116.25 116.56 1p3y h VAL 133 Ca 0.22 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1p3y h VAL 133 Cb 0.51 0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.83 1p3y h VAL 133 CO -0.59 0.10 -0.17 0.58 -1.23 0.00 0.00 177.57 176.26 1p3y h VAL 134 N 0.53 0.63 -0.58 7.19 2.07 -1.74 0.57 116.25 124.92 1p3y h VAL 134 Ca 0.39 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.98 1p3y h VAL 134 Cb 0.51 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1p3y h VAL 134 CO -0.34 0.00 0.26 0.28 0.02 0.00 0.00 177.57 177.79 1p3y h SER 135 N -0.37 0.34 -0.82 0.57 0.02 -1.27 0.42 113.55 112.44 1p3y h SER 135 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1p3y h SER 135 Cb 0.35 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1p3y h SER 135 CO -0.04 0.22 0.46 -0.09 -1.14 0.00 0.00 176.83 176.24 1p3y h ARG 136 N 0.49 1.13 -0.26 3.45 2.43 -0.46 -0.63 114.38 120.53 1p3y h ARG 136 Ca 0.27 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1p3y h ARG 136 Cb 0.25 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1p3y h ARG 136 CO -0.23 0.82 0.06 -0.91 -1.51 0.00 0.00 179.97 178.20 1p3y h ASN 137 N 1.13 0.40 -0.31 -3.80 -0.26 0.17 -0.57 115.58 112.34 1p3y h ASN 137 Ca 0.29 -0.24 0.05 0.00 -0.56 0.00 0.00 56.30 55.84 1p3y h ASN 137 Cb 0.01 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.12 1p3y h ASN 137 CO -0.05 0.54 0.06 0.40 -1.06 0.00 0.00 177.43 177.31 1p3y h ILE 138 N 0.25 0.84 0.06 2.81 1.08 0.11 -1.21 117.51 121.45 1p3y h ILE 138 Ca 0.08 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1p3y h ILE 138 Cb 0.30 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1p3y h ILE 138 CO 0.00 0.03 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.27 1p3y h GLU 139 N 0.17 -0.27 -0.94 2.37 4.57 -0.95 -1.77 114.58 117.77 1p3y h GLU 139 Ca 0.15 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.49 1p3y h GLU 139 Cb 0.16 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 1p3y h GLU 139 CO -0.20 -0.18 0.55 0.37 -1.18 0.00 0.00 179.01 178.37 1p3y h GLN 140 N -0.28 0.78 -0.55 1.92 5.75 -0.67 0.22 115.11 122.29 1p3y h GLN 140 Ca 0.03 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1p3y h GLN 140 Cb 0.31 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1p3y h GLN 140 CO -0.10 0.52 0.25 -0.07 -2.65 0.00 0.00 178.83 176.78 1p3y h LEU 141 N 0.81 0.73 0.19 -2.39 3.38 -0.80 -0.28 115.31 116.96 1p3y h LEU 141 Ca 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1p3y h LEU 141 Cb 0.62 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1p3y h LEU 141 CO -0.32 0.67 -0.09 0.03 0.09 0.00 0.00 178.44 178.82 1p3y h ARG 142 N 0.74 -0.25 -0.93 1.13 3.08 -0.14 0.69 114.38 118.71 1p3y h ARG 142 Ca 0.19 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.45 1p3y h ARG 142 Cb 0.14 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 1p3y h ARG 142 CO -0.02 -0.05 0.60 -0.22 -1.07 0.00 0.00 179.97 179.21 1p3y h LYS 143 N -0.41 0.50 0.00 0.04 3.64 -0.53 0.54 116.57 120.35 1p3y h LYS 143 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1p3y h LYS 143 Cb 0.32 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1p3y h LYS 143 CO 0.04 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.30 1p3y n ASP 144 N -4.57 0.65 0.00 4.20 8.00 -0.13 -4.90 116.55 119.80 1p3y n ASP 144 Ca 0.20 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.31 1p3y n ASP 144 Cb 0.66 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1p3y n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p3y n GLY 145 N 0.67 1.10 3.86 0.44 0.00 0.19 -5.07 105.19 106.37 1p3y n GLY 145 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1p3y n GLY 145 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p3y s HIS 146 N -2.00 3.51 -0.10 1.61 3.76 0.13 -4.78 115.29 117.41 1p3y s HIS 146 Ca 0.00 1.34 -0.06 0.00 -0.15 0.00 0.00 55.06 56.20 1p3y s HIS 146 Cb 0.00 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 1p3y s HIS 146 CO 0.00 -0.43 0.11 0.42 -0.85 0.00 0.00 174.74 174.00 1p3y s ILE 147 N -2.76 5.25 -0.40 0.60 1.01 -0.93 -3.78 121.20 120.19 1p3y s ILE 147 Ca 0.56 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1p3y s ILE 147 Cb -0.10 -3.28 0.13 0.00 0.01 0.00 0.00 42.46 39.21 1p3y s ILE 147 CO 0.38 0.60 0.20 -0.69 0.00 0.00 0.00 174.94 175.42 1p3y s VAL 148 N -1.02 1.26 -0.14 2.92 1.01 -1.26 0.20 120.40 123.37 1p3y s VAL 148 Ca 0.15 -2.23 -0.29 0.00 0.00 0.00 0.00 61.98 59.61 1p3y s VAL 148 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1p3y s VAL 148 CO 0.05 -0.83 1.75 -0.63 0.00 0.00 0.00 175.10 175.43 1p3y s ILE 149 N 0.71 3.49 0.62 2.22 -1.09 0.56 -4.95 121.20 122.75 1p3y s ILE 149 Ca 0.15 0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.97 1p3y s ILE 149 Cb -0.23 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1p3y s ILE 149 CO -0.06 -0.16 1.13 -1.61 -1.23 0.00 0.00 174.94 173.01 1p3y s GLU 150 N 4.69 2.99 0.57 2.79 2.02 -1.26 -3.75 118.70 126.75 1p3y s GLU 150 Ca 0.78 1.51 -0.07 0.00 0.02 0.00 0.00 54.97 57.20 1p3y s GLU 150 Cb -0.30 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1p3y s GLU 150 CO 0.32 -1.12 0.92 -1.25 0.02 0.00 0.00 175.26 174.14 1p3y s PRO 151 N -3.74 3.28 0.06 0.39 0.04 -1.26 -4.78 135.00 128.99 1p3y s PRO 151 Ca 0.70 0.29 0.06 0.00 0.04 0.00 0.00 61.00 62.09 1p3y s PRO 151 Cb -0.23 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1p3y s PRO 151 CO 0.36 -0.54 -0.11 0.14 0.04 0.00 0.00 177.00 176.89 1p3y s VAL 152 N -3.00 3.32 0.42 -0.36 -7.23 0.73 -4.82 120.40 109.47 1p3y s VAL 152 Ca 0.52 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 59.34 1p3y s VAL 152 Cb -0.11 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1p3y s VAL 152 CO 0.48 0.23 1.06 -1.61 -0.31 0.00 0.00 175.10 174.96 1p3y s GLU 153 N -1.84 4.05 0.28 4.82 2.02 -1.26 0.30 118.70 127.07 1p3y s GLU 153 Ca 0.19 1.52 -0.09 0.00 0.02 0.00 0.00 54.97 56.61 1p3y s GLU 153 Cb -0.11 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 1p3y s GLU 153 CO 0.10 -0.24 0.46 0.96 0.02 0.00 0.00 175.26 176.56 1p3y s ILE 154 N -1.69 0.00 -0.79 -1.63 -5.25 -1.26 -4.87 121.20 105.71 1p3y s ILE 154 Ca 0.60 -1.49 -0.02 0.00 -0.99 0.00 0.00 60.65 58.74 1p3y s ILE 154 Cb -0.22 -2.38 0.28 0.00 2.95 0.00 0.00 42.46 43.09 1p3y s ILE 154 CO 0.27 0.00 2.18 0.23 -1.79 0.00 0.00 174.94 175.84 1p3y n MET 155 N -0.43 2.94 -1.86 0.37 2.81 -1.26 -5.04 117.12 114.66 1p3y n MET 155 Ca -0.01 -3.36 -0.33 0.00 -1.81 0.00 0.00 57.70 52.18 1p3y n MET 155 Cb 0.62 -2.27 0.04 0.00 -0.71 0.00 0.00 33.22 30.90 1p3y n MET 155 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1p3y s ARG 168 N -3.52 2.92 0.25 0.03 0.52 -1.26 -5.27 118.95 112.61 1p3y s ARG 168 Ca 0.52 1.44 -0.09 0.00 -0.52 0.00 0.00 55.73 57.09 1p3y s ARG 168 Cb 0.40 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.94 1p3y s ARG 168 CO -0.35 -1.17 0.48 0.41 0.02 0.00 0.00 175.30 174.70 1p3y n GLY 169 N -0.36 1.44 3.84 -3.53 0.00 0.15 -4.88 105.19 101.84 1p3y n GLY 169 Ca 0.11 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1p3y n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3y s LEU 170 N 0.00 4.08 0.33 0.99 1.43 -1.26 -0.19 118.68 124.06 1p3y s LEU 170 Ca 0.11 1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 54.35 1p3y s LEU 170 Cb -0.03 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 1p3y s LEU 170 CO 0.08 -0.21 1.08 0.27 0.23 0.00 0.00 176.35 177.80 1p3y s ILE 171 N -1.96 3.58 0.79 -0.59 -0.00 -1.26 -4.81 121.20 116.95 1p3y s ILE 171 Ca 0.54 1.42 -0.17 0.00 -0.00 0.00 0.00 60.65 62.45 1p3y s ILE 171 Cb -0.11 -3.84 -0.12 0.00 -0.00 0.00 0.00 42.46 38.39 1p3y s ILE 171 CO 0.17 0.21 -0.29 0.35 -0.00 0.00 0.00 174.94 175.39 1p3y n THR 172 N 0.65 0.28 -0.30 8.37 -2.24 -1.26 -4.30 114.28 115.48 1p3y n THR 172 Ca 0.02 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1p3y n THR 172 Cb 0.47 -0.16 0.29 0.00 -2.10 0.00 0.00 70.33 68.82 1p3y n THR 172 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1p3y h PRO 173 N -0.62 0.21 -0.30 -0.78 0.11 -1.93 -0.61 132.00 128.08 1p3y h PRO 173 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1p3y h PRO 173 Cb 1.35 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1p3y h PRO 173 CO 0.33 0.14 0.16 0.38 -0.21 0.00 0.00 178.00 178.80 1p3y h ASP 174 N 0.22 0.37 0.18 -2.05 2.03 -1.96 0.18 116.42 115.39 1p3y h ASP 174 Ca 0.55 -0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.75 1p3y h ASP 174 Cb 1.10 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1p3y h ASP 174 CO -0.65 0.36 -0.08 0.11 -1.03 0.00 0.00 179.24 177.95 1p3y h LYS 175 N 0.36 -0.23 -0.73 4.15 1.79 -1.55 -2.20 116.57 118.16 1p3y h LYS 175 Ca 0.10 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.73 1p3y h LYS 175 Cb 0.07 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 30.68 1p3y h LYS 175 CO -0.02 -0.14 0.24 0.00 -1.08 0.00 0.00 179.45 178.46 1p3y h ALA 176 N 0.57 0.99 -0.41 3.86 0.00 -0.93 0.38 119.26 123.73 1p3y h ALA 176 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1p3y h ALA 176 Cb 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1p3y h ALA 176 CO 0.04 -0.26 0.19 1.25 0.00 0.00 0.00 179.25 180.47 1p3y h LEU 177 N 0.37 0.27 -0.53 0.00 5.85 -0.31 -0.19 115.31 120.77 1p3y h LEU 177 Ca 0.40 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1p3y h LEU 177 Cb 0.63 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1p3y h LEU 177 CO -0.43 0.19 0.31 -0.07 -0.34 0.00 0.00 178.44 178.11 1p3y h LEU 178 N 0.39 0.51 -1.25 2.25 3.38 -0.41 -0.48 115.31 119.70 1p3y h LEU 178 Ca 0.18 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1p3y h LEU 178 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1p3y h LEU 178 CO -0.14 0.36 0.51 0.00 0.09 0.00 0.00 178.44 179.26 1p3y h ALA 179 N 1.24 1.46 -0.16 1.53 0.00 -0.37 0.96 119.26 123.92 1p3y h ALA 179 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1p3y h ALA 179 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1p3y h ALA 179 CO -0.10 0.49 0.05 0.82 0.00 0.00 0.00 179.25 180.51 1p3y h ILE 180 N 1.03 1.19 -0.48 0.00 1.08 0.09 -1.82 117.51 118.60 1p3y h ILE 180 Ca 0.29 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1p3y h ILE 180 Cb -0.10 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1p3y h ILE 180 CO -0.07 0.18 0.32 -0.08 -0.69 0.00 0.00 178.15 177.81 1p3y h GLU 181 N 0.07 0.62 -0.40 2.37 4.22 -0.33 -1.83 114.58 119.31 1p3y h GLU 181 Ca 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1p3y h GLU 181 Cb 0.24 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1p3y h GLU 181 CO -0.00 0.41 0.25 -0.22 -2.18 0.00 0.00 179.01 177.27 1p3y h LYS 182 N 0.64 0.54 -0.42 1.92 3.64 -0.78 -2.77 116.57 119.34 1p3y h LYS 182 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1p3y h LYS 182 Cb -0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1p3y h LYS 182 CO -0.05 0.38 0.21 0.78 -2.27 0.00 0.00 179.45 178.51 1p3y h GLY 183 N 0.53 0.62 -5.01 5.01 0.00 -1.00 -3.25 103.07 99.96 1p3y h GLY 183 Ca 0.14 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 1p3y h GLY 183 CO -0.03 0.26 1.05 0.33 0.00 0.00 0.00 176.54 178.15 1p3y n PHE 184 N -4.41 0.46 -1.37 5.60 7.35 -0.72 -5.11 117.46 119.26 1p3y n PHE 184 Ca 0.03 -1.08 0.00 0.00 -0.76 0.00 0.00 57.45 55.64 1p3y n PHE 184 Cb 0.11 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 38.80 1p3y n PHE 184 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63