#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwi h ALA 3 N 0.00 1.90 -0.03 -2.53 0.00 -2.02 -0.71 119.26 115.87 2nwi h ALA 3 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nwi h ALA 3 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2nwi h ALA 3 CO 0.00 -0.23 0.01 0.82 0.00 0.00 0.00 179.25 179.85 2nwi h ILE 4 N 0.63 1.07 -0.67 0.00 1.08 -1.99 0.24 117.51 117.86 2nwi h ILE 4 Ca 0.53 -0.20 0.14 0.00 -0.39 0.00 0.00 64.86 64.93 2nwi h ILE 4 Cb 1.00 1.16 -0.10 0.00 -3.07 0.00 0.00 36.82 35.81 2nwi h ILE 4 CO -0.29 0.06 0.14 0.45 -0.69 0.00 0.00 178.15 177.82 2nwi h HIS 5 N -0.04 0.22 -0.38 1.37 3.86 -1.58 0.15 115.15 118.75 2nwi h HIS 5 Ca 0.01 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 2nwi h HIS 5 Cb 0.08 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2nwi h HIS 5 CO -0.05 -0.07 -0.36 0.00 0.86 0.00 0.00 177.93 178.31 2nwi h ARG 6 N 0.25 0.89 -0.05 2.45 3.08 -0.60 -1.74 114.38 118.65 2nwi h ARG 6 Ca 0.36 -0.45 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2nwi h ARG 6 Cb 0.59 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2nwi h ARG 6 CO -0.47 1.10 -0.08 0.82 -1.07 0.00 0.00 179.97 180.28 2nwi h ILE 7 N 0.73 0.78 -0.83 2.04 2.04 0.19 -3.00 117.51 119.46 2nwi h ILE 7 Ca 0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.07 2nwi h ILE 7 Cb 0.94 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2nwi h ILE 7 CO 0.09 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 178.71 2nwi h LEU 8 N -0.11 0.54 -1.22 1.44 3.38 -0.40 -0.94 115.31 117.99 2nwi h LEU 8 Ca 0.05 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2nwi h LEU 8 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2nwi h LEU 8 CO -0.12 0.28 -0.37 0.24 0.09 0.00 0.00 178.44 178.55 2nwi h MET 9 N 0.57 0.00 -0.00 1.13 2.86 -1.18 -3.35 114.93 114.97 2nwi h MET 9 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2nwi h MET 9 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2nwi h MET 9 CO -0.16 0.37 -0.05 0.25 1.06 0.00 0.00 176.91 178.38 2nwi n THR 10 N -3.94 0.00 -2.04 2.22 -2.24 -0.82 -4.88 114.28 102.58 2nwi n THR 10 Ca -0.02 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 2nwi n THR 10 Cb 0.43 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 2nwi n THR 10 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2nwi s THR 11 N -0.86 2.68 -1.08 4.28 -1.32 -0.42 -4.91 115.64 114.01 2nwi s THR 11 Ca 0.01 0.60 0.15 0.00 -1.21 0.00 0.00 61.69 61.24 2nwi s THR 11 Cb 0.01 -3.39 0.45 0.00 -1.51 0.00 0.00 72.50 68.07 2nwi s THR 11 CO 0.05 0.11 1.38 -0.90 -2.21 0.00 0.00 174.62 173.05 2nwi n ASP 12 N 1.87 3.47 -4.94 8.08 5.75 -1.26 -5.01 116.55 124.51 2nwi n ASP 12 Ca 0.05 -2.17 -0.21 0.00 -0.01 0.00 0.00 54.79 52.44 2nwi n ASP 12 Cb 0.41 -0.36 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 2nwi n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nwi n GLY 13 N 0.70 2.16 3.66 6.12 0.00 -1.26 -5.04 105.19 111.53 2nwi n GLY 13 Ca 0.17 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2nwi n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nwi s SER 14 N -4.54 6.47 0.17 1.61 0.15 -1.26 -4.90 113.70 111.40 2nwi s SER 14 Ca 0.54 2.50 -0.09 0.00 0.70 0.00 0.00 55.95 59.59 2nwi s SER 14 Cb -0.04 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2nwi s SER 14 CO 0.34 -1.06 1.56 0.40 1.20 0.00 0.00 173.24 175.69 2nwi h ILE 15 N 5.69 1.27 -0.20 6.45 1.08 -1.97 -2.00 117.51 127.82 2nwi h ILE 15 Ca -0.46 -1.37 0.06 0.00 -0.39 0.00 0.00 64.86 62.69 2nwi h ILE 15 Cb 1.22 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 36.03 2nwi h ILE 15 CO 0.95 0.47 -0.20 0.74 -0.69 0.00 0.00 178.15 179.42 2nwi h THR 16 N 0.85 0.47 -0.92 -0.27 2.02 -2.00 -0.10 112.91 112.96 2nwi h THR 16 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2nwi h THR 16 Cb 0.79 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2nwi h THR 16 CO 0.07 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.56 2nwi h ALA 17 N 0.84 1.38 -0.21 6.16 0.00 -1.93 -0.13 119.26 125.37 2nwi h ALA 17 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nwi h ALA 17 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nwi h ALA 17 CO -0.33 0.55 0.14 0.82 0.00 0.00 0.00 179.25 180.42 2nwi h ILE 18 N 1.20 1.06 -0.37 0.00 2.04 -0.86 -0.89 117.51 119.69 2nwi h ILE 18 Ca 0.35 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 2nwi h ILE 18 Cb -0.06 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2nwi h ILE 18 CO -0.09 0.06 0.05 0.40 0.00 0.00 0.00 178.15 178.57 2nwi h ILE 19 N 0.28 1.24 -0.69 -0.67 2.04 -0.25 -1.44 117.51 118.02 2nwi h ILE 19 Ca 0.08 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2nwi h ILE 19 Cb -0.02 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 2nwi h ILE 19 CO -0.02 0.29 0.42 -0.33 0.00 0.00 0.00 178.15 178.52 2nwi h GLU 20 N 0.46 0.80 -0.72 2.37 5.08 -1.03 -0.22 114.58 121.32 2nwi h GLU 20 Ca 0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2nwi h GLU 20 Cb 0.38 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2nwi h GLU 20 CO 0.01 0.53 0.44 0.00 -1.00 0.00 0.00 179.01 178.99 2nwi h ALA 21 N 1.30 0.91 -0.07 3.43 0.00 -0.83 0.34 119.26 124.35 2nwi h ALA 21 Ca 0.28 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 2nwi h ALA 21 Cb 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2nwi h ALA 21 CO -0.12 0.38 -0.68 0.28 0.00 0.00 0.00 179.25 179.10 2nwi h VAL 22 N 0.98 1.35 0.00 0.00 2.07 -0.91 -3.32 116.25 116.41 2nwi h VAL 22 Ca 0.26 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.67 2nwi h VAL 22 Cb -0.05 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2nwi h VAL 22 CO -0.05 0.61 -0.98 0.71 0.02 0.00 0.00 177.57 177.88 2nwi h THR 23 N 0.20 0.49 -2.44 2.57 1.35 -1.03 -3.48 112.91 110.57 2nwi h THR 23 Ca -0.07 -1.82 -0.37 0.00 -0.55 0.00 0.00 66.41 63.61 2nwi h THR 23 Cb 1.34 2.05 -0.03 0.00 -1.73 0.00 0.00 68.15 69.79 2nwi h THR 23 CO 0.14 0.28 -0.46 0.00 -0.25 0.00 0.00 175.52 175.23 2nwi n GLN 24 N -2.97 -1.45 -4.35 4.72 6.02 0.12 -5.01 117.38 114.46 2nwi n GLN 24 Ca -0.04 0.92 -0.18 0.00 -0.01 0.00 0.00 57.00 57.69 2nwi n GLN 24 Cb 0.74 -5.41 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 2nwi n GLN 24 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2nwi s LYS 25 N -4.78 1.38 0.00 -1.09 -0.14 -1.22 -5.06 119.74 108.83 2nwi s LYS 25 Ca 0.00 -1.69 -0.20 0.00 -1.36 0.00 0.00 55.97 52.73 2nwi s LYS 25 Cb 0.00 -0.79 -0.06 0.00 -1.68 0.00 0.00 37.83 35.30 2nwi s LYS 25 CO 0.00 -0.03 0.57 0.21 -0.76 0.00 0.00 175.35 175.34 2nwi s LYS 26 N -3.81 4.27 0.13 1.68 2.20 -1.26 -4.27 119.74 118.68 2nwi s LYS 26 Ca 0.27 0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 56.37 2nwi s LYS 26 Cb 0.05 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.97 2nwi s LYS 26 CO 0.09 0.43 0.66 0.14 -0.36 0.00 0.00 175.35 176.30 2nwi s VAL 27 N -0.37 4.60 -0.24 4.02 -7.23 -1.26 -4.59 120.40 115.33 2nwi s VAL 27 Ca 0.30 1.37 -0.06 0.00 -1.81 0.00 0.00 61.98 61.79 2nwi s VAL 27 Cb -0.18 -3.97 -0.02 0.00 0.56 0.00 0.00 36.38 32.77 2nwi s VAL 27 CO 0.17 0.49 0.02 -1.61 -0.31 0.00 0.00 175.10 173.85 2nwi s GLU 28 N -1.27 3.50 -0.24 4.82 0.41 0.30 -4.94 118.70 121.28 2nwi s GLU 28 Ca 0.33 -0.56 -0.23 0.00 -0.41 0.00 0.00 54.97 54.11 2nwi s GLU 28 Cb -0.20 -3.18 -0.01 0.00 -1.78 0.00 0.00 34.13 28.96 2nwi s GLU 28 CO 0.22 -0.20 0.75 0.08 -0.49 0.00 0.00 175.26 175.61 2nwi s VAL 29 N 1.55 4.90 -0.27 2.63 1.01 -1.26 -0.57 120.40 128.39 2nwi s VAL 29 Ca 0.06 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 2nwi s VAL 29 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2nwi s VAL 29 CO 0.00 -0.02 0.16 -0.70 0.00 0.00 0.00 175.10 174.54 2nwi s GLU 30 N 2.64 3.89 -0.20 2.72 2.12 -0.19 -4.97 118.70 124.72 2nwi s GLU 30 Ca 0.32 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.00 2nwi s GLU 30 Cb -0.15 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 2nwi s GLU 30 CO 0.08 -0.15 1.16 0.99 -0.54 0.00 0.00 175.26 176.80 2nwi s THR 31 N 1.64 4.46 -0.01 -1.70 2.01 -1.26 -0.82 115.64 119.95 2nwi s THR 31 Ca 0.07 1.76 0.11 0.00 0.31 0.00 0.00 61.69 63.94 2nwi s THR 31 Cb -0.16 -4.15 -0.22 0.00 0.01 0.00 0.00 72.50 67.99 2nwi s THR 31 CO 0.09 -0.17 0.80 -0.07 -0.69 0.00 0.00 174.62 174.58 2nwi h LEU 32 N 9.64 0.00 -7.00 4.42 -0.00 -1.11 -3.48 115.31 117.78 2nwi h LEU 32 Ca -0.23 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.72 2nwi h LEU 32 Cb 1.08 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.50 2nwi h LEU 32 CO 0.98 0.99 0.22 -0.70 -0.00 0.00 0.00 178.44 179.93 2nwi s GLU 33 N -2.63 0.52 -0.08 1.13 2.12 -1.15 -5.01 118.70 113.61 2nwi s GLU 33 Ca -0.03 0.91 -0.02 0.00 0.36 0.00 0.00 54.97 56.18 2nwi s GLU 33 Cb 0.08 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.62 2nwi s GLU 33 CO 0.82 -0.11 0.03 -1.14 -0.54 0.00 0.00 175.26 174.32 2nwi s GLN 34 N 1.48 0.38 0.08 4.30 0.74 -1.26 -1.33 119.66 124.05 2nwi s GLN 34 Ca -0.09 0.13 0.06 0.00 0.05 0.00 0.00 55.36 55.51 2nwi s GLN 34 Cb -0.04 -1.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 2nwi s GLN 34 CO -0.17 -0.37 -0.17 0.15 -0.55 0.00 0.00 175.29 174.19 2nwi s LYS 35 N 2.03 0.95 -0.17 1.67 1.02 -0.48 -4.98 119.74 119.78 2nwi s LYS 35 Ca 0.04 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 2nwi s LYS 35 Cb -0.13 -1.06 -0.05 0.00 -0.52 0.00 0.00 37.83 36.08 2nwi s LYS 35 CO -0.05 0.24 0.24 0.42 -0.92 0.00 0.00 175.35 175.28 2nwi s ILE 36 N -1.19 5.34 0.21 2.17 -1.09 -1.26 -0.06 121.20 125.32 2nwi s ILE 36 Ca 0.02 0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.95 2nwi s ILE 36 Cb -0.10 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 2nwi s ILE 36 CO 0.03 0.41 -0.15 0.27 -1.23 0.00 0.00 174.94 174.27 2nwi s ILE 37 N 0.41 1.83 -0.24 2.92 -4.36 0.29 -4.94 121.20 117.11 2nwi s ILE 37 Ca 0.14 -2.23 -0.08 0.00 -0.26 0.00 0.00 60.65 58.22 2nwi s ILE 37 Cb -0.12 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 2nwi s ILE 37 CO 0.02 -0.57 0.10 -0.13 0.24 0.00 0.00 174.94 174.60 2nwi s ARG 38 N -3.60 3.83 -0.09 0.37 1.81 -1.26 -0.80 118.95 119.21 2nwi s ARG 38 Ca 0.23 -0.39 -0.37 0.00 -1.72 0.00 0.00 55.73 53.48 2nwi s ARG 38 Cb -0.01 -3.38 -0.15 0.00 -0.45 0.00 0.00 34.95 30.95 2nwi s ARG 38 CO 0.08 -0.05 1.65 0.00 -0.68 0.00 0.00 175.30 176.29 2nwi n ALA 39 N 4.55 0.03 -1.39 2.13 0.00 -0.28 -4.69 120.51 120.86 2nwi n ALA 39 Ca -0.16 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 2nwi n ALA 39 Cb 0.52 -2.26 0.18 0.00 0.00 0.00 0.00 19.45 17.89 2nwi n ALA 39 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nwi n ASP 40 N 4.65 -0.89 -0.16 0.00 5.68 -1.26 -0.57 116.55 124.01 2nwi n ASP 40 Ca 0.22 -1.20 -0.10 0.00 -0.50 0.00 0.00 54.79 53.21 2nwi n ASP 40 Cb 0.20 -0.80 0.03 0.00 -1.14 0.00 0.00 41.12 39.42 2nwi n ASP 40 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2nwi h ARG 41 N 0.00 0.97 -0.13 0.11 0.11 -1.97 0.15 114.38 113.62 2nwi h ARG 41 Ca -0.33 -0.37 -0.00 0.00 0.10 0.00 0.00 59.98 59.37 2nwi h ARG 41 Cb 0.96 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.98 2nwi h ARG 41 CO 0.23 1.04 0.07 1.05 0.10 0.00 0.00 179.97 182.46 2nwi h GLU 42 N 0.85 0.18 -0.52 0.08 4.11 -2.00 -2.09 114.58 115.19 2nwi h GLU 42 Ca 0.13 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 2nwi h GLU 42 Cb 0.71 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2nwi h GLU 42 CO 0.05 0.20 0.03 1.25 0.07 0.00 0.00 179.01 180.61 2nwi h LEU 43 N 0.12 0.88 -1.13 3.06 5.85 -1.88 -1.43 115.31 120.78 2nwi h LEU 43 Ca 0.05 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2nwi h LEU 43 Cb 0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2nwi h LEU 43 CO -0.01 0.96 0.36 0.00 -0.34 0.00 0.00 178.44 179.41 2nwi h ALA 44 N 0.96 1.33 -0.59 1.25 0.00 -0.89 -0.64 119.26 120.67 2nwi h ALA 44 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2nwi h ALA 44 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2nwi h ALA 44 CO 0.02 0.54 0.10 1.05 0.00 0.00 0.00 179.25 180.96 2nwi h GLU 45 N 0.97 0.98 -0.99 0.00 4.11 -1.15 0.21 114.58 118.71 2nwi h GLU 45 Ca 0.24 -0.26 0.01 0.00 0.07 0.00 0.00 59.36 59.42 2nwi h GLU 45 Cb 0.06 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2nwi h GLU 45 CO -0.04 0.92 0.66 1.25 0.07 0.00 0.00 179.01 181.88 2nwi h LEU 46 N 0.88 1.14 -1.93 3.06 5.85 -0.60 -3.16 115.31 120.56 2nwi h LEU 46 Ca 0.18 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2nwi h LEU 46 Cb 0.41 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2nwi h LEU 46 CO 0.01 0.82 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 2nwi n LEU 47 N -4.38 2.98 -3.22 2.25 4.77 -0.31 -4.95 117.00 114.14 2nwi n LEU 47 Ca 0.12 -1.03 -0.20 0.00 -0.03 0.00 0.00 56.01 54.86 2nwi n LEU 47 Cb 0.01 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2nwi n LEU 47 CO 0.37 0.52 0.21 -0.62 -1.33 0.00 0.00 177.39 176.53 2nwi n GLU 48 N 1.31 -6.92 -4.02 3.23 1.02 -0.21 -4.46 120.64 110.60 2nwi n GLU 48 Ca 0.15 0.73 -0.22 0.00 -0.02 0.00 0.00 57.16 57.80 2nwi n GLU 48 Cb 0.59 -5.49 -0.06 0.00 -0.02 0.00 0.00 31.44 26.47 2nwi n GLU 48 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2nwi n ILE 49 N -4.61 0.00 -3.21 -3.67 -5.35 -0.11 -4.93 119.36 97.48 2nwi n ILE 49 Ca -0.02 -1.93 -0.30 0.00 -0.27 0.00 0.00 62.75 60.24 2nwi n ILE 49 Cb 0.56 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 2nwi n ILE 49 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2nwi s ASP 50 N -3.10 6.50 0.26 7.28 1.01 -1.26 -4.36 116.67 122.99 2nwi s ASP 50 Ca 0.11 0.87 -0.30 0.00 0.71 0.00 0.00 52.55 53.93 2nwi s ASP 50 Cb 0.01 -2.21 -0.11 0.00 1.01 0.00 0.00 42.92 41.62 2nwi s ASP 50 CO 0.08 -0.24 1.59 -0.70 0.21 0.00 0.00 175.17 176.11 2nwi s GLU 51 N -3.53 4.15 0.00 8.23 2.12 -1.26 -2.13 118.70 126.28 2nwi s GLU 51 Ca 0.47 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.32 2nwi s GLU 51 Cb -0.11 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2nwi s GLU 51 CO 0.29 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2nwi n GLY 52 N 2.54 1.99 3.76 -1.50 0.00 0.27 -4.96 105.19 107.30 2nwi n GLY 52 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2nwi n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nwi s ASP 53 N -1.80 5.42 0.28 1.61 1.11 -0.91 -4.47 116.67 117.91 2nwi s ASP 53 Ca 0.00 2.27 -0.29 0.00 0.18 0.00 0.00 52.55 54.71 2nwi s ASP 53 Cb 0.00 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 2nwi s ASP 53 CO 0.00 -1.43 1.05 -1.61 1.18 0.00 0.00 175.17 174.36 2nwi s GLU 54 N -3.35 4.67 -0.05 8.23 0.41 -1.26 -1.13 118.70 126.23 2nwi s GLU 54 Ca 0.75 1.69 -0.02 0.00 -0.41 0.00 0.00 54.97 56.99 2nwi s GLU 54 Cb -0.27 -3.17 0.04 0.00 -1.78 0.00 0.00 34.13 28.95 2nwi s GLU 54 CO 0.31 0.27 0.09 0.08 -0.49 0.00 0.00 175.26 175.52 2nwi s VAL 55 N -1.21 -0.08 -0.13 2.63 1.01 0.02 -1.61 120.40 121.02 2nwi s VAL 55 Ca 0.44 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2nwi s VAL 55 Cb -0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2nwi s VAL 55 CO 0.38 0.10 1.07 0.21 0.00 0.00 0.00 175.10 176.85 2nwi s ASN 56 N 1.38 7.16 -0.25 3.32 2.47 -0.05 -0.55 114.94 128.41 2nwi s ASN 56 Ca -0.06 1.55 -0.04 0.00 0.42 0.00 0.00 52.86 54.73 2nwi s ASN 56 Cb -0.12 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 2nwi s ASN 56 CO -0.04 -0.55 -0.00 -0.47 -3.72 0.00 0.00 177.10 172.32 2nwi s TYR 57 N 2.45 3.06 -0.04 0.43 5.04 0.92 -1.25 117.35 127.96 2nwi s TYR 57 Ca 0.49 -1.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.09 2nwi s TYR 57 Cb -0.19 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 2nwi s TYR 57 CO 0.15 -0.60 -0.23 0.50 -1.34 0.00 0.00 175.55 174.04 2nwi s ARG 58 N 1.45 2.15 -0.10 4.97 3.52 -0.33 -1.38 118.95 129.23 2nwi s ARG 58 Ca 0.03 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 2nwi s ARG 58 Cb -0.16 -1.93 -0.00 0.00 -1.56 0.00 0.00 34.95 31.30 2nwi s ARG 58 CO -0.01 0.41 -0.23 0.08 -0.81 0.00 0.00 175.30 174.74 2nwi s VAL 59 N -0.29 2.15 0.05 7.11 1.01 -0.44 -1.28 120.40 128.70 2nwi s VAL 59 Ca 0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2nwi s VAL 59 Cb -0.11 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2nwi s VAL 59 CO 0.02 0.56 -0.04 0.68 0.00 0.00 0.00 175.10 176.32 2nwi s VAL 60 N 0.31 0.26 -0.07 2.92 -7.23 -0.28 -0.43 120.40 115.87 2nwi s VAL 60 Ca -0.17 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2nwi s VAL 60 Cb -0.18 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2nwi s VAL 60 CO 0.08 -0.80 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.66 2nwi s TYR 61 N -3.02 2.85 -0.32 2.82 4.12 -0.00 -1.19 117.35 122.61 2nwi s TYR 61 Ca -0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 57.07 56.86 2nwi s TYR 61 Cb 0.01 -1.70 -0.02 0.00 -1.52 0.00 0.00 41.96 38.73 2nwi s TYR 61 CO -0.06 0.23 0.28 -0.51 0.02 0.00 0.00 175.55 175.51 2nwi s LEU 62 N -0.67 4.34 -0.08 -1.29 1.43 0.84 -1.03 118.68 122.23 2nwi s LEU 62 Ca 0.10 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2nwi s LEU 62 Cb -0.11 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2nwi s LEU 62 CO 0.01 -0.23 -0.05 -0.13 0.23 0.00 0.00 176.35 176.19 2nwi s ARG 63 N 1.86 2.90 -0.04 1.70 0.52 0.27 0.06 118.95 126.22 2nwi s ARG 63 Ca 0.09 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2nwi s ARG 63 Cb -0.17 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.65 2nwi s ARG 63 CO 0.11 0.63 -0.05 0.00 0.02 0.00 0.00 175.30 176.01 2nwi s ALA 64 N -0.71 0.69 0.00 2.13 0.00 -0.54 -0.54 121.76 122.78 2nwi s ALA 64 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2nwi s ALA 64 Cb -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2nwi s ALA 64 CO 0.02 0.02 0.00 0.09 0.00 0.00 0.00 175.76 175.89 2nwi n ASN 65 N 3.89 0.00 -1.75 0.00 3.02 -1.26 -2.33 115.26 116.84 2nwi n ASN 65 Ca -0.24 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.13 2nwi n ASN 65 Cb 0.51 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.82 2nwi n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nwi n GLY 66 N 0.00 5.40 3.71 7.41 0.00 -1.26 -4.93 105.19 115.52 2nwi n GLY 66 Ca 0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 2nwi n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwi s GLU 67 N -3.47 2.91 -0.38 1.61 2.02 -0.98 -5.09 118.70 115.32 2nwi s GLU 67 Ca 0.52 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.72 2nwi s GLU 67 Cb 0.44 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2nwi s GLU 67 CO 0.02 0.65 0.99 0.42 0.02 0.00 0.00 175.26 177.36 2nwi s ILE 68 N -1.06 4.50 -0.59 -1.63 1.01 -1.26 -1.47 121.20 120.69 2nwi s ILE 68 Ca 0.19 1.30 0.22 0.00 0.00 0.00 0.00 60.65 62.36 2nwi s ILE 68 Cb -0.12 -4.40 -0.18 0.00 0.01 0.00 0.00 42.46 37.77 2nwi s ILE 68 CO 0.09 -0.61 0.89 -1.22 0.00 0.00 0.00 174.94 174.09 2nwi n TYR 69 N 6.98 0.15 -3.61 3.97 4.02 0.11 -4.81 117.16 123.97 2nwi n TYR 69 Ca 0.09 0.04 -0.14 0.00 -0.01 0.00 0.00 57.90 57.88 2nwi n TYR 69 Cb 0.48 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.39 2nwi n TYR 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nwi s ALA 70 N -3.21 -1.82 -0.11 -0.72 0.00 -1.10 -4.24 121.76 110.57 2nwi s ALA 70 Ca 0.02 1.83 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 2nwi s ALA 70 Cb 0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2nwi s ALA 70 CO 0.84 -0.33 -0.06 0.21 0.00 0.00 0.00 175.76 176.42 2nwi s LYS 71 N -0.05 3.22 -0.01 0.00 2.20 -0.82 -0.11 119.74 124.17 2nwi s LYS 71 Ca -0.02 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2nwi s LYS 71 Cb -0.04 -2.74 -0.00 0.00 -1.51 0.00 0.00 37.83 33.54 2nwi s LYS 71 CO 0.02 0.44 -0.08 0.00 -0.36 0.00 0.00 175.35 175.37 2nwi s ALA 72 N -0.20 0.71 -0.11 3.13 0.00 -0.33 -0.50 121.76 124.45 2nwi s ALA 72 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2nwi s ALA 72 Cb -0.13 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2nwi s ALA 72 CO 0.03 0.15 -0.14 0.42 0.00 0.00 0.00 175.76 176.22 2nwi s ILE 73 N -0.08 1.42 0.04 0.00 1.01 0.35 -1.13 121.20 122.81 2nwi s ILE 73 Ca 0.01 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2nwi s ILE 73 Cb -0.05 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2nwi s ILE 73 CO -0.00 0.43 -0.21 -0.94 0.00 0.00 0.00 174.94 174.21 2nwi s SER 74 N 1.17 2.54 -0.13 3.58 1.04 -0.40 -0.15 113.70 121.35 2nwi s SER 74 Ca -0.03 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2nwi s SER 74 Cb -0.14 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2nwi s SER 74 CO -0.04 0.17 -0.20 -0.36 0.98 0.00 0.00 173.24 173.79 2nwi s PHE 75 N -0.80 2.68 -0.20 5.02 0.40 0.15 -1.18 117.98 124.03 2nwi s PHE 75 Ca 0.08 -1.08 -0.01 0.00 -0.60 0.00 0.00 56.93 55.32 2nwi s PHE 75 Cb -0.09 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.70 2nwi s PHE 75 CO 0.02 -0.46 -0.03 0.99 0.70 0.00 0.00 175.22 176.44 2nwi s THR 76 N 0.59 1.15 0.22 0.64 2.01 -0.38 -0.82 115.64 119.06 2nwi s THR 76 Ca -0.11 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.69 2nwi s THR 76 Cb -0.16 -1.46 -0.11 0.00 0.01 0.00 0.00 72.50 70.77 2nwi s THR 76 CO 0.03 -0.07 1.66 -2.16 -0.69 0.00 0.00 174.62 173.40 2nwi s PRO 77 N 1.58 4.14 0.14 4.92 0.04 -1.25 -0.87 135.00 143.70 2nwi s PRO 77 Ca -0.03 2.56 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 2nwi s PRO 77 Cb -0.17 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2nwi s PRO 77 CO -0.07 -0.70 1.41 -0.07 0.04 0.00 0.00 177.00 177.62 2nwi h LEU 78 N 6.33 0.85 0.00 -3.56 4.07 -1.68 -3.19 115.31 118.14 2nwi h LEU 78 Ca -0.44 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.04 2nwi h LEU 78 Cb 1.21 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2nwi h LEU 78 CO 0.91 1.26 0.00 2.29 -1.08 0.00 0.00 178.44 181.82 2nwi n LYS 79 N -3.97 0.18 0.00 1.13 2.85 -1.26 -1.79 118.16 115.30 2nwi n LYS 79 Ca -0.05 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 2nwi n LYS 79 Cb 0.65 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.55 2nwi n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2nwi n ARG 80 N -1.23 0.58 -3.93 -1.58 0.63 -1.20 -4.96 116.66 104.95 2nwi n ARG 80 Ca 0.06 -0.46 -0.36 0.00 -0.92 0.00 0.00 57.85 56.17 2nwi n ARG 80 Cb 0.07 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 31.42 2nwi n ARG 80 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2nwi s LEU 81 N -2.74 4.19 0.76 6.15 1.02 -0.74 -5.10 118.68 122.23 2nwi s LEU 81 Ca 0.14 0.35 -0.13 0.00 0.02 0.00 0.00 54.13 54.52 2nwi s LEU 81 Cb 0.17 -2.03 0.05 0.00 0.02 0.00 0.00 46.19 44.41 2nwi s LEU 81 CO 0.70 0.35 1.13 -0.70 0.02 0.00 0.00 176.35 177.84 2nwi s GLU 82 N -0.65 2.14 0.14 1.70 -6.30 -1.26 -4.83 118.70 109.64 2nwi s GLU 82 Ca 0.12 1.43 -0.23 0.00 -2.50 0.00 0.00 54.97 53.80 2nwi s GLU 82 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 34.13 32.14 2nwi s GLU 82 CO 0.02 -1.77 1.65 -0.91 0.02 0.00 0.00 175.26 174.28 2nwi h ASN 83 N -0.77 -0.57 0.42 -1.70 4.21 -1.98 -0.70 115.58 114.48 2nwi h ASN 83 Ca -0.45 0.10 -0.19 0.00 1.21 0.00 0.00 56.30 56.97 2nwi h ASN 83 Cb 1.26 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.72 2nwi h ASN 83 CO 0.50 -0.23 -0.82 0.77 -1.29 0.00 0.00 177.43 176.36 2nwi h SER 84 N -0.23 0.37 -0.02 5.81 4.64 -1.98 0.11 113.55 122.25 2nwi h SER 84 Ca 0.10 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2nwi h SER 84 Cb 0.38 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2nwi h SER 84 CO -0.28 1.04 -0.01 0.15 -0.87 0.00 0.00 176.83 176.86 2nwi h PHE 85 N 0.18 -0.02 -0.76 4.77 3.57 -1.93 -0.68 116.94 122.07 2nwi h PHE 85 Ca -0.04 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2nwi h PHE 85 Cb 1.42 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.13 2nwi h PHE 85 CO 0.04 -0.02 0.47 -0.09 -2.23 0.00 0.00 178.31 176.48 2nwi h ARG 86 N -0.01 0.87 -0.30 1.11 2.43 -0.76 -0.42 114.38 117.30 2nwi h ARG 86 Ca 0.01 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2nwi h ARG 86 Cb 0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2nwi h ARG 86 CO -0.03 0.57 0.18 0.93 -1.51 0.00 0.00 179.97 180.12 2nwi h GLU 87 N 0.89 0.36 -0.74 0.20 5.08 -0.66 -0.60 114.58 119.11 2nwi h GLU 87 Ca 0.32 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2nwi h GLU 87 Cb 0.08 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2nwi h GLU 87 CO -0.14 0.24 0.45 -0.44 -1.00 0.00 0.00 179.01 178.13 2nwi h ASP 88 N 0.37 0.72 -0.39 1.42 3.32 -0.59 -2.67 116.42 118.60 2nwi h ASP 88 Ca 0.11 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2nwi h ASP 88 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2nwi h ASP 88 CO -0.04 0.48 0.08 0.25 -1.72 0.00 0.00 179.24 178.28 2nwi h LEU 89 N 0.85 0.61 -2.27 1.55 5.85 -0.59 -2.86 115.31 118.45 2nwi h LEU 89 Ca 0.32 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2nwi h LEU 89 Cb 0.11 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2nwi h LEU 89 CO -0.15 0.70 -0.03 0.24 -0.34 0.00 0.00 178.44 178.86 2nwi h MET 90 N 0.49 0.00 -0.28 1.25 2.86 -0.85 -1.80 114.93 116.60 2nwi h MET 90 Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2nwi h MET 90 Cb 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2nwi h MET 90 CO 0.00 0.03 0.05 0.00 1.06 0.00 0.00 176.91 178.05 2nwi h ARG 91 N 0.00 0.40 0.00 1.72 3.08 -1.24 -3.47 114.38 114.88 2nwi h ARG 91 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2nwi h ARG 91 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2nwi h ARG 91 CO 0.00 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 2nwi n ALA 92 N -2.49 0.00 0.09 0.04 0.00 -0.68 -4.83 120.51 112.64 2nwi n ALA 92 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2nwi n ALA 92 Cb 0.18 -0.38 0.14 0.00 0.00 0.00 0.00 19.45 19.39 2nwi n ALA 92 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nwi n ASP 93 N 0.00 2.75 -4.31 0.00 5.68 -1.26 -4.71 116.55 114.70 2nwi n ASP 93 Ca 0.00 -1.83 -0.35 0.00 -0.50 0.00 0.00 54.79 52.11 2nwi n ASP 93 Cb 0.00 -0.18 -0.14 0.00 -1.14 0.00 0.00 41.12 39.66 2nwi n ASP 93 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2nwi s ILE 94 N -1.05 3.33 0.51 2.12 1.01 -1.26 -5.10 121.20 120.76 2nwi s ILE 94 Ca 0.24 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 2nwi s ILE 94 Cb 0.13 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 2nwi s ILE 94 CO 0.18 0.43 1.37 -2.84 0.00 0.00 0.00 174.94 174.09 2nwi s PRO 95 N 1.41 3.35 0.29 2.79 0.02 -1.26 -4.76 135.00 136.84 2nwi s PRO 95 Ca 0.05 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.38 2nwi s PRO 95 Cb -0.14 -2.40 0.64 0.00 0.02 0.00 0.00 34.50 32.62 2nwi s PRO 95 CO -0.03 -1.04 1.80 0.82 -0.33 0.00 0.00 177.00 178.22 2nwi h ILE 96 N 1.75 0.80 -0.79 2.83 2.04 -1.99 -0.22 117.51 121.93 2nwi h ILE 96 Ca -0.51 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2nwi h ILE 96 Cb 1.29 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2nwi h ILE 96 CO 0.59 0.16 0.52 1.23 0.00 0.00 0.00 178.15 180.64 2nwi h GLY 97 N 0.85 1.12 1.45 5.37 0.00 -1.99 0.36 103.07 110.23 2nwi h GLY 97 Ca 0.53 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 2nwi h GLY 97 CO -0.33 0.39 -0.30 0.50 0.00 0.00 0.00 176.54 176.80 2nwi h LYS 98 N 1.05 0.62 -0.29 4.80 1.57 -1.42 -1.84 116.57 121.06 2nwi h LYS 98 Ca 0.30 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2nwi h LYS 98 Cb -0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2nwi h LYS 98 CO -0.07 0.85 0.11 0.82 -0.57 0.00 0.00 179.45 180.58 2nwi h ILE 99 N 0.53 1.19 -0.43 1.86 2.04 -0.85 0.19 117.51 122.04 2nwi h ILE 99 Ca 0.07 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2nwi h ILE 99 Cb 0.78 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 2nwi h ILE 99 CO 0.06 0.20 -0.01 0.24 0.00 0.00 0.00 178.15 178.64 2nwi h MET 100 N 0.32 0.09 -0.54 2.37 2.86 -0.82 -2.26 114.93 116.95 2nwi h MET 100 Ca 0.10 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 2nwi h MET 100 Cb 0.21 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2nwi h MET 100 CO -0.01 0.06 -0.06 0.00 1.06 0.00 0.00 176.91 177.96 2nwi h ARG 101 N 0.09 1.00 -0.49 1.72 3.08 -1.20 -1.99 114.38 116.60 2nwi h ARG 101 Ca 0.21 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2nwi h ARG 101 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2nwi h ARG 101 CO -0.37 1.03 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.32 2nwi h LYS 102 N 0.88 0.84 -0.65 0.04 3.64 -0.70 -2.19 116.57 118.44 2nwi h LYS 102 Ca 0.15 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2nwi h LYS 102 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2nwi h LYS 102 CO 0.04 0.86 0.00 0.72 -2.27 0.00 0.00 179.45 178.80 2nwi n HIS 103 N -4.19 1.19 -4.11 1.91 8.25 -0.87 -4.97 115.22 112.42 2nwi n HIS 103 Ca 0.02 -0.51 -0.28 0.00 -0.26 0.00 0.00 57.72 56.69 2nwi n HIS 103 Cb 0.33 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 2nwi n HIS 103 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2nwi n ASN 104 N 1.18 -0.14 -4.70 0.41 5.03 -0.82 -4.88 115.26 111.34 2nwi n ASN 104 Ca 0.23 -1.10 -0.42 0.00 0.87 0.00 0.00 54.58 54.15 2nwi n ASN 104 Cb 0.72 -2.51 -0.03 0.00 -1.02 0.00 0.00 39.78 36.95 2nwi n ASN 104 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2nwi s ILE 105 N -4.04 3.91 -0.27 2.41 1.01 -0.78 -5.00 121.20 118.45 2nwi s ILE 105 Ca 0.08 1.32 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 2nwi s ILE 105 Cb -0.04 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2nwi s ILE 105 CO 0.93 0.04 0.73 -1.61 0.00 0.00 0.00 174.94 175.02 2nwi s GLU 106 N 1.87 4.08 0.15 2.79 2.02 -1.26 -4.96 118.70 123.39 2nwi s GLU 106 Ca 0.60 0.66 -0.06 0.00 0.02 0.00 0.00 54.97 56.19 2nwi s GLU 106 Cb -0.29 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 2nwi s GLU 106 CO 0.26 -0.52 0.19 0.00 0.02 0.00 0.00 175.26 175.22 2nwi s ALA 107 N 2.72 0.33 0.42 5.21 0.00 -1.26 -4.62 121.76 124.55 2nwi s ALA 107 Ca 0.30 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2nwi s ALA 107 Cb -0.15 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2nwi s ALA 107 CO 0.09 -0.58 0.06 2.89 0.00 0.00 0.00 175.76 178.23 2nwi n ARG 108 N -0.16 0.76 -4.26 0.00 1.85 -0.86 -4.98 116.66 109.01 2nwi n ARG 108 Ca -0.07 -3.24 -0.17 0.00 -1.00 0.00 0.00 57.85 53.37 2nwi n ARG 108 Cb 0.63 1.27 -0.14 0.00 -1.05 0.00 0.00 32.46 33.18 2nwi n ARG 108 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2nwi s ARG 109 N -3.54 0.66 -0.23 2.89 3.52 -1.26 -0.79 118.95 120.20 2nwi s ARG 109 Ca 0.09 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2nwi s ARG 109 Cb 0.00 -0.60 0.05 0.00 -1.56 0.00 0.00 34.95 32.84 2nwi s ARG 109 CO 0.06 0.16 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.37 2nwi s GLU 110 N -0.60 2.34 0.12 5.12 2.02 -0.72 -5.00 118.70 121.98 2nwi s GLU 110 Ca 0.00 -1.09 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 2nwi s GLU 110 Cb -0.05 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 2nwi s GLU 110 CO 0.00 -0.45 1.38 0.42 0.02 0.00 0.00 175.26 176.62 2nwi s ILE 111 N 1.23 3.30 -0.23 -1.63 -1.09 -1.26 -0.80 121.20 120.72 2nwi s ILE 111 Ca -0.04 0.95 0.09 0.00 -2.23 0.00 0.00 60.65 59.42 2nwi s ILE 111 Cb -0.17 -3.61 -0.20 0.00 -1.58 0.00 0.00 42.46 36.90 2nwi s ILE 111 CO -0.08 0.08 -0.10 0.54 -1.23 0.00 0.00 174.94 174.16 2nwi n ARG 112 N 3.77 0.70 -3.50 2.79 1.74 0.85 -4.95 116.66 118.07 2nwi n ARG 112 Ca 0.11 0.08 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 2nwi n ARG 112 Cb 0.42 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 2nwi n ARG 112 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 2nwi s TRP 113 N -2.49 -0.57 -0.26 -1.55 -2.14 -0.70 -4.97 118.94 106.26 2nwi s TRP 113 Ca -0.23 0.78 -0.07 0.00 2.66 0.00 0.00 56.10 59.24 2nwi s TRP 113 Cb 0.07 0.47 0.12 0.00 -3.10 0.00 0.00 33.47 31.03 2nwi s TRP 113 CO 0.68 -0.64 0.54 0.45 -2.66 0.00 0.00 176.95 175.31 2nwi s SER 114 N -1.72 -0.73 0.16 -2.66 0.15 -1.26 -0.93 113.70 106.71 2nwi s SER 114 Ca -0.05 1.17 -0.17 0.00 0.70 0.00 0.00 55.95 57.59 2nwi s SER 114 Cb -0.00 1.84 0.03 0.00 -1.71 0.00 0.00 66.02 66.17 2nwi s SER 114 CO 0.01 -0.24 0.46 0.00 1.20 0.00 0.00 173.24 174.67 2nwi s ARG 115 N 2.76 1.21 -0.16 5.44 1.70 -0.36 -5.01 118.95 124.52 2nwi s ARG 115 Ca 0.00 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.38 2nwi s ARG 115 Cb -0.13 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2nwi s ARG 115 CO -0.17 -0.49 0.19 0.08 -1.08 0.00 0.00 175.30 173.83 2nwi s VAL 116 N -3.84 5.38 0.08 4.99 1.01 -1.26 -0.63 120.40 126.14 2nwi s VAL 116 Ca 0.06 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 2nwi s VAL 116 Cb 0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2nwi s VAL 116 CO -0.08 0.47 0.16 -1.83 0.00 0.00 0.00 175.10 173.82 2nwi s GLU 117 N 0.02 0.80 -0.15 2.72 -1.05 -0.38 -4.99 118.70 115.67 2nwi s GLU 117 Ca 0.13 -0.97 -0.29 0.00 -0.15 0.00 0.00 54.97 53.68 2nwi s GLU 117 Cb -0.12 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 2nwi s GLU 117 CO 0.02 -0.24 1.09 -2.00 0.95 0.00 0.00 175.26 175.08 2nwi s GLU 118 N -3.76 4.32 0.46 -4.83 2.12 -1.26 -0.66 118.70 115.08 2nwi s GLU 118 Ca 0.04 1.47 -0.24 0.00 0.36 0.00 0.00 54.97 56.60 2nwi s GLU 118 Cb 0.05 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 2nwi s GLU 118 CO -0.10 -0.52 1.25 0.00 -0.54 0.00 0.00 175.26 175.35 2nwi s ALA 119 N 2.73 3.04 0.82 6.30 0.00 0.15 -4.93 121.76 129.86 2nwi s ALA 119 Ca 0.49 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 2nwi s ALA 119 Cb -0.19 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.56 2nwi s ALA 119 CO 0.14 -0.85 1.09 0.16 0.00 0.00 0.00 175.76 176.29 2nwi s ASP 120 N -1.06 4.22 0.28 0.00 1.47 -1.26 -4.74 116.67 115.58 2nwi s ASP 120 Ca 0.63 1.55 0.02 0.00 1.18 0.00 0.00 52.55 55.92 2nwi s ASP 120 Cb -0.34 -2.27 0.62 0.00 -0.34 0.00 0.00 42.92 40.59 2nwi s ASP 120 CO 0.42 -2.17 1.76 0.25 0.68 0.00 0.00 175.17 176.11 2nwi h LEU 121 N -1.23 0.59 -0.46 2.11 5.85 -1.99 0.02 115.31 120.21 2nwi h LEU 121 Ca -0.47 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.21 2nwi h LEU 121 Cb 1.26 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2nwi h LEU 121 CO 0.55 0.21 -0.30 0.00 -0.34 0.00 0.00 178.44 178.56 2nwi h ALA 122 N 1.61 0.65 -0.18 1.25 0.00 -1.99 -1.03 119.26 119.56 2nwi h ALA 122 Ca 0.51 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2nwi h ALA 122 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2nwi h ALA 122 CO -0.39 0.68 -0.54 1.25 0.00 0.00 0.00 179.25 180.24 2nwi h LEU 123 N 0.81 0.79 -0.70 0.00 5.85 -1.70 -0.84 115.31 119.51 2nwi h LEU 123 Ca 0.09 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.26 2nwi h LEU 123 Cb 0.88 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2nwi h LEU 123 CO 0.08 1.24 0.42 0.00 -0.34 0.00 0.00 178.44 179.84 2nwi h ALA 124 N 0.57 0.93 0.07 1.25 0.00 -0.95 0.34 119.26 121.47 2nwi h ALA 124 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nwi h ALA 124 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2nwi h ALA 124 CO 0.12 0.15 -0.04 0.87 0.00 0.00 0.00 179.25 180.35 2nwi h LYS 125 N 0.79 -0.09 -0.33 0.00 1.57 -1.13 0.16 116.57 117.54 2nwi h LYS 125 Ca 0.30 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 2nwi h LYS 125 Cb 0.11 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2nwi h LYS 125 CO -0.15 0.04 0.02 1.49 -0.57 0.00 0.00 179.45 180.29 2nwi h GLU 126 N -0.22 0.12 0.00 3.15 4.81 -0.82 -0.80 114.58 120.82 2nwi h GLU 126 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2nwi h GLU 126 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2nwi h GLU 126 CO 0.02 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 2nwi n LEU 127 N -5.15 0.45 -2.62 1.64 4.77 0.12 -4.93 117.00 111.29 2nwi n LEU 127 Ca 0.01 0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 56.38 2nwi n LEU 127 Cb 0.16 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2nwi n LEU 127 CO 0.23 -0.26 0.07 0.61 -1.33 0.00 0.00 177.39 176.71 2nwi n GLY 128 N 0.74 -0.25 3.80 -0.72 0.00 0.44 -4.77 105.19 104.43 2nwi n GLY 128 Ca 0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2nwi n GLY 128 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nwi s ILE 129 N -3.12 4.92 -0.12 -0.61 -4.36 -0.49 -5.03 121.20 112.40 2nwi s ILE 129 Ca 0.32 -0.15 -0.06 0.00 -0.26 0.00 0.00 60.65 60.51 2nwi s ILE 129 Cb -0.14 -3.17 -0.05 0.00 1.25 0.00 0.00 42.46 40.35 2nwi s ILE 129 CO 0.40 0.51 0.09 0.00 0.24 0.00 0.00 174.94 176.17 2nwi h ALA 130 N 4.65 0.01 -1.91 2.27 0.00 -1.95 -3.43 119.26 118.90 2nwi h ALA 130 Ca -0.51 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 2nwi h ALA 130 Cb 1.20 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2nwi h ALA 130 CO 0.59 0.10 1.17 0.34 0.00 0.00 0.00 179.25 181.45 2nwi s ASP 131 N -5.71 6.18 0.00 0.00 2.15 -1.26 -4.92 116.67 113.11 2nwi s ASP 131 Ca -0.06 1.31 0.23 0.00 0.43 0.00 0.00 52.55 54.46 2nwi s ASP 131 Cb 0.00 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 41.36 2nwi s ASP 131 CO 0.15 -1.48 1.76 0.54 -0.17 0.00 0.00 175.17 175.97 2nwi n ARG 132 N 8.06 0.52 -2.18 4.34 1.74 -1.26 -4.74 116.66 123.13 2nwi n ARG 132 Ca 0.20 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 2nwi n ARG 132 Cb 0.46 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 2nwi n ARG 132 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2nwi s ARG 133 N -2.31 4.29 0.04 5.56 0.52 -1.26 0.33 118.95 126.13 2nwi s ARG 133 Ca 0.28 2.03 0.06 0.00 -0.52 0.00 0.00 55.73 57.58 2nwi s ARG 133 Cb 0.16 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2nwi s ARG 133 CO 0.31 -0.53 -0.17 0.14 0.02 0.00 0.00 175.30 175.07 2nwi s VAL 134 N 1.93 1.33 -0.08 3.52 -7.23 0.17 -2.15 120.40 117.89 2nwi s VAL 134 Ca 0.65 -1.10 -0.28 0.00 -1.81 0.00 0.00 61.98 59.43 2nwi s VAL 134 Cb -0.34 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2nwi s VAL 134 CO 0.28 0.07 0.94 -0.63 -0.31 0.00 0.00 175.10 175.45 2nwi s ILE 135 N -0.86 4.85 -0.10 -0.62 1.01 0.40 -1.25 121.20 124.64 2nwi s ILE 135 Ca 0.04 1.92 0.03 0.00 0.00 0.00 0.00 60.65 62.64 2nwi s ILE 135 Cb -0.08 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2nwi s ILE 135 CO 0.02 0.08 -0.22 -0.55 0.00 0.00 0.00 174.94 174.27 2nwi s SER 136 N 1.05 2.87 0.04 3.58 0.15 0.20 0.26 113.70 121.85 2nwi s SER 136 Ca 0.47 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 2nwi s SER 136 Cb -0.19 -1.31 -0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2nwi s SER 136 CO 0.20 0.13 0.05 0.00 1.20 0.00 0.00 173.24 174.82 2nwi s ARG 137 N 0.47 0.56 -0.02 5.44 1.70 -0.37 -1.23 118.95 125.50 2nwi s ARG 137 Ca -0.17 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2nwi s ARG 137 Cb -0.17 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.44 2nwi s ARG 137 CO 0.07 -0.13 0.02 1.21 -1.08 0.00 0.00 175.30 175.39 2nwi s ASN 138 N -2.22 0.07 0.05 -2.89 3.84 -0.11 -0.75 114.94 112.93 2nwi s ASN 138 Ca -0.04 0.03 -0.07 0.00 0.21 0.00 0.00 52.86 53.00 2nwi s ASN 138 Cb -0.00 -0.06 -0.01 0.00 -0.55 0.00 0.00 41.25 40.63 2nwi s ASN 138 CO -0.05 -0.11 0.13 -0.72 -2.79 0.00 0.00 177.10 173.56 2nwi s TYR 139 N 0.88 0.18 -0.11 0.43 1.13 -0.60 -0.10 117.35 119.16 2nwi s TYR 139 Ca -0.07 -0.52 -0.06 0.00 -1.41 0.00 0.00 57.07 55.01 2nwi s TYR 139 Cb -0.11 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.59 2nwi s TYR 139 CO -0.02 -0.42 0.12 -0.80 -2.51 0.00 0.00 175.55 171.91 2nwi s ASN 140 N -2.35 6.20 -0.20 -0.18 0.01 0.02 -0.77 114.94 117.67 2nwi s ASN 140 Ca -0.02 0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 52.42 2nwi s ASN 140 Cb 0.01 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 2nwi s ASN 140 CO -0.06 0.40 0.26 -0.63 -1.51 0.00 0.00 177.10 175.55 2nwi s ILE 141 N -1.02 5.31 -0.18 0.60 1.01 0.14 -1.76 121.20 125.30 2nwi s ILE 141 Ca 0.15 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 2nwi s ILE 141 Cb -0.12 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2nwi s ILE 141 CO 0.04 0.35 -0.00 -0.63 0.00 0.00 0.00 174.94 174.70 2nwi s ILE 142 N 0.85 4.06 -0.01 2.92 -1.09 0.03 0.47 121.20 128.42 2nwi s ILE 142 Ca 0.13 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 2nwi s ILE 142 Cb -0.13 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.94 2nwi s ILE 142 CO 0.04 0.46 -0.03 -2.28 -1.23 0.00 0.00 174.94 171.90 2nwi s HIS 143 N 0.68 0.37 -1.60 3.97 5.65 0.20 -2.04 115.29 122.52 2nwi s HIS 143 Ca -0.00 -0.06 -0.15 0.00 0.25 0.00 0.00 55.06 55.10 2nwi s HIS 143 Cb -0.14 -0.31 0.11 0.00 -1.18 0.00 0.00 32.58 31.06 2nwi s HIS 143 CO 0.02 -0.06 0.85 0.54 -0.65 0.00 0.00 174.74 175.44 2nwi n ARG 144 N 3.41 -4.23 -0.90 2.88 1.74 -1.26 -1.62 116.66 116.68 2nwi n ARG 144 Ca -0.18 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2nwi n ARG 144 Cb 0.56 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 2nwi n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nwi n GLY 145 N -1.57 0.41 3.28 -0.13 0.00 -1.26 -4.98 105.19 100.94 2nwi n GLY 145 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2nwi n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nwi s LYS 146 N -0.67 1.13 0.11 1.61 1.02 -0.64 -5.10 119.74 117.19 2nwi s LYS 146 Ca 0.00 -1.37 -0.31 0.00 0.02 0.00 0.00 55.97 54.31 2nwi s LYS 146 Cb 0.00 -0.97 -0.10 0.00 -0.52 0.00 0.00 37.83 36.24 2nwi s LYS 146 CO 0.00 0.18 1.79 0.08 -0.92 0.00 0.00 175.35 176.48 2nwi s VAL 147 N -2.48 2.66 -0.23 3.17 1.01 -1.26 -0.63 120.40 122.64 2nwi s VAL 147 Ca 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2nwi s VAL 147 Cb -0.03 -3.09 -0.19 0.00 0.00 0.00 0.00 36.38 33.07 2nwi s VAL 147 CO 0.04 -0.00 -0.10 -0.11 0.00 0.00 0.00 175.10 174.93 2nwi n LEU 148 N 5.71 2.86 -3.74 3.92 7.94 0.18 -4.84 117.00 129.03 2nwi n LEU 148 Ca 0.17 -0.04 -0.12 0.00 -1.11 0.00 0.00 56.01 54.91 2nwi n LEU 148 Cb 0.39 -0.96 -0.12 0.00 0.53 0.00 0.00 43.42 43.26 2nwi n LEU 148 CO 0.65 0.90 -0.06 -0.63 -1.11 0.00 0.00 177.39 177.14 2nwi s ILE 149 N -2.53 -0.02 -0.22 1.96 1.01 -1.08 -3.93 121.20 116.39 2nwi s ILE 149 Ca -0.32 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2nwi s ILE 149 Cb 0.09 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 2nwi s ILE 149 CO 0.63 0.03 0.14 0.21 0.00 0.00 0.00 174.94 175.96 2nwi s ASN 150 N 0.81 6.12 -0.11 3.58 3.84 0.00 0.27 114.94 129.44 2nwi s ASN 150 Ca -0.05 0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.20 2nwi s ASN 150 Cb -0.06 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 2nwi s ASN 150 CO -0.05 0.11 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.51 2nwi s ILE 151 N 0.77 2.10 -0.17 -5.21 1.01 0.05 -0.68 121.20 119.09 2nwi s ILE 151 Ca 0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 2nwi s ILE 151 Cb -0.13 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2nwi s ILE 151 CO 0.02 0.56 -0.02 -0.89 0.00 0.00 0.00 174.94 174.60 2nwi s THR 152 N 0.47 3.96 -0.02 2.92 2.01 0.79 -1.56 115.64 124.20 2nwi s THR 152 Ca -0.15 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.56 2nwi s THR 152 Cb -0.17 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2nwi s THR 152 CO 0.06 0.48 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.70 2nwi s GLU 153 N 0.49 1.43 -0.16 4.92 2.02 0.07 -0.50 118.70 126.97 2nwi s GLU 153 Ca -0.03 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.42 2nwi s GLU 153 Cb -0.14 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2nwi s GLU 153 CO 0.03 0.30 -0.21 -0.06 0.02 0.00 0.00 175.26 175.33 2nwi s PHE 154 N -0.20 2.71 -0.28 1.61 0.08 0.34 -1.24 117.98 121.00 2nwi s PHE 154 Ca 0.02 -1.49 -0.05 0.00 0.12 0.00 0.00 56.93 55.54 2nwi s PHE 154 Cb -0.08 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2nwi s PHE 154 CO 0.00 -0.71 0.03 -0.06 -0.10 0.00 0.00 175.22 174.38 2nwi s PHE 155 N 1.05 3.12 -0.25 0.36 0.08 0.14 -1.95 117.98 120.54 2nwi s PHE 155 Ca -0.01 -1.21 -0.29 0.00 0.12 0.00 0.00 56.93 55.55 2nwi s PHE 155 Cb -0.14 -2.18 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2nwi s PHE 155 CO -0.07 -0.64 1.86 -1.25 -0.10 0.00 0.00 175.22 175.03 2nwi s PRO 156 N 1.43 3.46 0.29 0.24 0.04 -1.26 -0.45 135.00 138.76 2nwi s PRO 156 Ca 0.01 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2nwi s PRO 156 Cb -0.17 -4.20 0.58 0.00 0.04 0.00 0.00 34.50 30.75 2nwi s PRO 156 CO -0.00 -1.71 1.85 0.52 0.04 0.00 0.00 177.00 177.71 2nwi h MET 157 N 12.68 0.95 0.00 4.56 2.86 -1.75 -2.52 114.93 131.70 2nwi h MET 157 Ca -0.37 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2nwi h MET 157 Cb 1.19 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2nwi h MET 157 CO 1.00 0.63 0.00 1.05 1.06 0.00 0.00 176.91 180.65 2nwi h GLU 158 N 0.98 0.00 0.00 1.72 4.11 -1.85 -1.99 114.58 117.54 2nwi h GLU 158 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2nwi h GLU 158 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2nwi h GLU 158 CO -0.24 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.38 2nwi n ARG 159 N -2.71 0.01 0.00 1.06 1.74 -0.95 -5.16 116.66 110.66 2nwi n ARG 159 Ca 0.01 0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 2nwi n ARG 159 Cb 0.27 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2nwi n ARG 159 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30