#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3npo n ILE 2 N 0.00 0.70 -2.55 1.96 2.08 -1.26 -5.01 119.36 115.28 3npo n ILE 2 Ca 0.00 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.72 3npo n ILE 2 Cb 0.00 -1.68 -0.02 0.00 -0.75 0.00 0.00 39.64 37.19 3npo n ILE 2 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3npo s VAL 3 N -2.23 4.48 -0.22 1.39 1.01 -1.26 -4.88 120.40 118.69 3npo s VAL 3 Ca -0.17 1.78 0.16 0.00 0.00 0.00 0.00 61.98 63.75 3npo s VAL 3 Cb 0.07 -4.15 0.47 0.00 0.00 0.00 0.00 36.38 32.77 3npo s VAL 3 CO 0.22 -0.07 1.16 0.35 0.00 0.00 0.00 175.10 176.76 3npo n THR 4 N 4.92 1.61 -3.96 3.92 -2.24 -1.26 -4.96 114.28 112.31 3npo n THR 4 Ca 0.11 -3.06 -0.30 0.00 -2.27 0.00 0.00 64.05 58.53 3npo n THR 4 Cb 0.46 0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 3npo n THR 4 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3npo s GLN 5 N -3.00 1.82 0.19 -0.78 0.74 -1.26 -5.12 119.66 112.24 3npo s GLN 5 Ca 0.38 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 55.12 3npo s GLN 5 Cb 0.37 -2.26 -0.05 0.00 1.10 0.00 0.00 33.01 32.17 3npo s GLN 5 CO -0.04 -0.42 -0.08 0.95 -0.55 0.00 0.00 175.29 175.14 3npo s THR 6 N 1.48 1.27 -0.27 -0.34 -4.23 -1.26 -4.31 115.64 107.98 3npo s THR 6 Ca -0.00 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.13 3npo s THR 6 Cb -0.16 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3npo s THR 6 CO -0.08 -0.59 1.05 -0.32 -0.54 0.00 0.00 174.62 174.14 3npo s MET 7 N -3.76 4.16 0.28 3.99 1.75 -0.43 -4.81 119.30 120.49 3npo s MET 7 Ca 0.21 1.21 -0.29 0.00 -1.25 0.00 0.00 55.69 55.57 3npo s MET 7 Cb 0.03 -3.69 -0.10 0.00 2.84 0.00 0.00 34.83 33.92 3npo s MET 7 CO 0.04 -0.76 1.19 0.15 -0.65 0.00 0.00 175.02 175.00 3npo s LYS 8 N 3.40 4.52 -1.19 4.11 1.02 -1.26 -3.73 119.74 126.61 3npo s LYS 8 Ca 0.44 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.39 3npo s LYS 8 Cb -0.14 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3npo s LYS 8 CO 0.10 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 3npo n GLY 9 N 1.26 0.94 3.65 -3.33 0.00 -1.26 -4.93 105.19 101.53 3npo n GLY 9 Ca 0.00 -0.46 -0.47 0.00 0.00 0.00 0.00 46.02 45.09 3npo n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3npo n LEU 10 N -1.43 2.83 -4.23 0.99 7.94 -1.24 -4.94 117.00 116.91 3npo n LEU 10 Ca -0.12 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.44 3npo n LEU 10 Cb 0.44 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 3npo n LEU 10 CO 0.18 -0.42 0.05 -0.62 -1.11 0.00 0.00 177.39 175.46 3npo s ASP 11 N 1.00 5.86 0.22 1.96 2.15 -1.26 -4.95 116.67 121.64 3npo s ASP 11 Ca 0.81 -2.01 0.17 0.00 0.43 0.00 0.00 52.55 51.94 3npo s ASP 11 Cb -0.74 -2.06 0.84 0.00 -0.30 0.00 0.00 42.92 40.67 3npo s ASP 11 CO 0.40 -0.70 1.51 0.00 -0.17 0.00 0.00 175.17 176.21 3npo n ILE 12 N 4.82 1.22 0.09 4.11 0.13 -1.26 -1.86 119.36 126.61 3npo n ILE 12 Ca -0.06 0.57 -0.05 0.00 -1.10 0.00 0.00 62.75 62.10 3npo n ILE 12 Cb 0.41 -1.54 -0.00 0.00 -0.84 0.00 0.00 39.64 37.67 3npo n ILE 12 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 3npo h GLN 13 N 0.00 0.02 0.00 9.51 1.08 -1.96 -3.20 115.11 120.56 3npo h GLN 13 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3npo h GLN 13 Cb 0.08 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3npo h GLN 13 CO 0.00 0.85 0.00 1.63 -0.95 0.00 0.00 178.83 180.36 3npo n LYS 14 N -3.55 0.09 0.00 1.46 5.02 -0.78 -3.01 118.16 117.40 3npo n LYS 14 Ca -0.01 0.09 0.15 0.00 -2.02 0.00 0.00 58.31 56.52 3npo n LYS 14 Cb 0.81 -1.61 0.70 0.00 -0.02 0.00 0.00 35.03 34.91 3npo n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3npo n VAL 15 N -1.77 0.00 -1.61 -0.18 0.24 -1.21 -4.86 118.33 108.95 3npo n VAL 15 Ca 0.06 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 3npo n VAL 15 Cb 0.36 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3npo n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3npo n ALA 16 N -0.77 0.10 0.00 2.33 0.00 -1.16 -4.49 120.51 116.52 3npo n ALA 16 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3npo n ALA 16 Cb 0.24 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3npo n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3npo n GLY 17 N 1.18 0.22 3.76 0.00 0.00 -0.60 -4.90 105.19 104.85 3npo n GLY 17 Ca 0.09 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 3npo n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3npo s THR 18 N 0.00 4.45 0.05 2.61 2.01 -1.26 -1.14 115.64 122.35 3npo s THR 18 Ca 0.00 1.76 -0.03 0.00 0.31 0.00 0.00 61.69 63.73 3npo s THR 18 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3npo s THR 18 CO 0.00 0.46 0.03 0.26 -0.69 0.00 0.00 174.62 174.67 3npo s TRP 19 N -0.74 0.37 -0.11 4.92 0.52 -0.78 -4.61 118.94 118.50 3npo s TRP 19 Ca 0.38 -0.81 0.03 0.00 0.02 0.00 0.00 56.10 55.71 3npo s TRP 19 Cb -0.23 -0.27 0.01 0.00 -1.15 0.00 0.00 33.47 31.83 3npo s TRP 19 CO 0.26 -0.37 -0.19 0.71 0.02 0.00 0.00 176.95 177.38 3npo s TYR 20 N -3.31 2.30 -1.24 -1.98 2.02 0.15 -4.18 117.35 111.11 3npo s TYR 20 Ca 0.01 -1.06 -0.20 0.00 -0.37 0.00 0.00 57.07 55.45 3npo s TYR 20 Cb 0.03 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3npo s TYR 20 CO -0.08 -0.49 1.85 0.43 -1.57 0.00 0.00 175.55 175.69 3npo n SER 21 N 3.95 3.96 -0.26 2.29 7.64 -1.26 -0.03 113.62 129.90 3npo n SER 21 Ca -0.20 -2.81 -0.06 0.00 1.01 0.00 0.00 58.87 56.81 3npo n SER 21 Cb 0.52 -1.73 0.07 0.00 -1.01 0.00 0.00 64.21 62.06 3npo n SER 21 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3npo h LEU 22 N 15.02 1.06 -7.87 -3.43 5.85 -1.68 -3.45 115.31 120.82 3npo h LEU 22 Ca 0.34 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 3npo h LEU 22 Cb 0.89 -0.28 -0.17 0.00 0.37 0.00 0.00 40.66 41.47 3npo h LEU 22 CO 1.37 0.99 -0.49 0.00 -0.34 0.00 0.00 178.44 179.97 3npo s ALA 23 N -5.39 -0.12 0.01 1.25 0.00 -1.16 -1.03 121.76 115.32 3npo s ALA 23 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3npo s ALA 23 Cb 0.15 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 3npo s ALA 23 CO 0.84 -0.33 -0.03 -1.64 0.00 0.00 0.00 175.76 174.60 3npo s MET 24 N -2.65 0.22 0.04 0.00 -1.94 -0.28 -1.59 119.30 113.11 3npo s MET 24 Ca -0.05 -0.35 -0.06 0.00 -1.71 0.00 0.00 55.69 53.53 3npo s MET 24 Cb -0.01 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3npo s MET 24 CO -0.05 -0.00 0.10 0.00 -0.01 0.00 0.00 175.02 175.06 3npo s ALA 25 N -0.75 -0.10 0.10 3.03 0.00 0.23 0.68 121.76 124.95 3npo s ALA 25 Ca -0.07 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 3npo s ALA 25 Cb -0.05 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.36 3npo s ALA 25 CO -0.00 -0.31 0.47 0.00 0.00 0.00 0.00 175.76 175.91 3npo s ALA 26 N -2.52 -1.16 -0.29 0.00 0.00 -0.75 -0.30 121.76 116.75 3npo s ALA 26 Ca -0.06 0.26 0.22 0.00 0.00 0.00 0.00 51.96 52.39 3npo s ALA 26 Cb -0.02 0.60 0.40 0.00 0.00 0.00 0.00 23.12 24.10 3npo s ALA 26 CO -0.04 -0.60 1.62 0.66 0.00 0.00 0.00 175.76 177.39 3npo h SER 27 N 2.50 0.00 -3.53 0.00 4.64 -1.40 0.33 113.55 116.09 3npo h SER 27 Ca -0.33 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.57 3npo h SER 27 Cb 1.25 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.01 3npo h SER 27 CO 0.43 0.14 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.13 3npo s ASP 28 N -6.22 1.04 0.25 4.97 2.15 -1.26 -4.02 116.67 113.58 3npo s ASP 28 Ca 0.05 -0.15 -0.02 0.00 0.43 0.00 0.00 52.55 52.85 3npo s ASP 28 Cb 0.06 -0.45 0.49 0.00 -0.30 0.00 0.00 42.92 42.72 3npo s ASP 28 CO 0.68 -0.02 1.76 0.40 -0.17 0.00 0.00 175.17 177.81 3npo h ILE 29 N 5.96 0.72 0.00 4.11 2.04 -1.83 -1.85 117.51 126.66 3npo h ILE 29 Ca -0.36 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3npo h ILE 29 Cb 1.16 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3npo h ILE 29 CO 0.48 0.11 0.00 -1.54 0.00 0.00 0.00 178.15 177.19 3npo n SER 30 N -4.90 0.61 0.20 1.72 3.41 -1.26 -1.61 113.62 111.79 3npo n SER 30 Ca 0.16 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.58 3npo n SER 30 Cb 0.41 -0.82 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 3npo n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3npo h LEU 31 N 0.00 0.00 -0.74 1.04 3.38 -1.74 -3.36 115.31 113.88 3npo h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3npo h LEU 31 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3npo h LEU 31 CO 0.00 0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.94 3npo n LEU 32 N -3.25 0.57 0.00 1.67 4.77 -0.87 -1.23 117.00 118.66 3npo n LEU 32 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3npo n LEU 32 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3npo n LEU 32 CO 0.35 0.14 0.42 0.47 -1.33 0.00 0.00 177.39 177.44 3npo n ASP 33 N -0.04 0.00 -4.87 -1.43 8.00 -0.63 -4.83 116.55 112.75 3npo n ASP 33 Ca 0.00 0.84 -0.21 0.00 0.71 0.00 0.00 54.79 56.14 3npo n ASP 33 Cb 0.17 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3npo n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3npo s ALA 34 N -3.71 4.01 0.31 2.24 0.00 -1.26 -4.95 121.76 118.39 3npo s ALA 34 Ca 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 51.96 50.18 3npo s ALA 34 Cb 0.00 -1.03 0.84 0.00 0.00 0.00 0.00 23.12 22.93 3npo s ALA 34 CO 0.00 -0.17 1.64 1.96 0.00 0.00 0.00 175.76 179.19 3npo h GLN 35 N 1.08 0.21 -0.02 0.00 4.20 -1.95 -1.97 115.11 116.66 3npo h GLN 35 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3npo h GLN 35 Cb 1.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3npo h GLN 35 CO 0.58 0.14 -0.21 -1.13 -0.67 0.00 0.00 178.83 177.53 3npo n SER 36 N -5.20 1.79 -4.28 1.46 3.41 -1.26 -4.22 113.62 105.31 3npo n SER 36 Ca 0.25 -1.42 -0.41 0.00 -0.26 0.00 0.00 58.87 57.04 3npo n SER 36 Cb 0.80 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 3npo n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3npo n ALA 37 N 0.10 -3.00 -0.17 7.33 0.00 -0.74 -4.85 120.51 119.18 3npo n ALA 37 Ca 0.13 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.69 3npo n ALA 37 Cb 0.43 -1.45 0.37 0.00 0.00 0.00 0.00 19.45 18.80 3npo n ALA 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3npo h PRO 38 N 0.18 0.69 -0.33 0.00 0.11 -1.76 -2.89 132.00 128.00 3npo h PRO 38 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3npo h PRO 38 Cb 1.45 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3npo h PRO 38 CO 0.45 0.46 0.00 1.28 -0.21 0.00 0.00 178.00 179.97 3npo n LEU 39 N -4.48 2.99 -4.36 2.35 4.32 -0.37 -4.79 117.00 112.67 3npo n LEU 39 Ca 0.11 -1.63 -0.42 0.00 -0.02 0.00 0.00 56.01 54.05 3npo n LEU 39 Cb 0.25 -0.21 -0.01 0.00 -1.62 0.00 0.00 43.42 41.83 3npo n LEU 39 CO 0.34 0.68 2.12 -1.14 -1.22 0.00 0.00 177.39 178.16 3npo n ARG 40 N 0.96 2.97 -5.08 3.23 0.63 -1.09 -4.91 116.66 113.36 3npo n ARG 40 Ca 0.14 -3.03 -0.32 0.00 -0.92 0.00 0.00 57.85 53.72 3npo n ARG 40 Cb 0.47 -3.45 -0.15 0.00 0.45 0.00 0.00 32.46 29.78 3npo n ARG 40 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3npo s VAL 41 N 4.48 2.53 -0.33 5.15 -7.23 -1.26 -4.50 120.40 119.24 3npo s VAL 41 Ca 0.53 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.75 3npo s VAL 41 Cb 0.06 -1.96 0.04 0.00 0.56 0.00 0.00 36.38 35.09 3npo s VAL 41 CO 0.05 0.57 0.08 -0.31 -0.31 0.00 0.00 175.10 175.18 3npo s TYR 42 N -0.39 3.27 0.24 2.82 1.51 -0.55 -4.97 117.35 119.27 3npo s TYR 42 Ca 0.04 -1.58 -0.30 0.00 -1.01 0.00 0.00 57.07 54.22 3npo s TYR 42 Cb -0.12 -2.26 -0.09 0.00 -0.11 0.00 0.00 41.96 39.38 3npo s TYR 42 CO 0.02 -0.76 1.32 0.08 -1.11 0.00 0.00 175.55 175.10 3npo s VAL 43 N 1.35 3.03 -0.25 0.71 1.01 -1.26 -0.99 120.40 124.01 3npo s VAL 43 Ca -0.02 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 3npo s VAL 43 Cb -0.20 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3npo s VAL 43 CO 0.02 0.15 -0.30 -0.62 0.00 0.00 0.00 175.10 174.35 3npo n GLU 44 N 2.19 0.53 -3.65 2.72 1.02 0.89 -4.19 120.64 120.14 3npo n GLU 44 Ca 0.05 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.29 3npo n GLU 44 Cb 0.42 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 3npo n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3npo s GLU 45 N -2.45 0.71 -0.22 3.49 2.12 -1.04 -1.86 118.70 119.45 3npo s GLU 45 Ca -0.34 0.97 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 3npo s GLU 45 Cb 0.12 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.74 3npo s GLU 45 CO 0.45 -0.11 0.20 -0.51 -0.54 0.00 0.00 175.26 174.75 3npo s LEU 46 N 0.77 4.15 -0.47 2.70 1.43 -0.30 -0.99 118.68 125.98 3npo s LEU 46 Ca -0.03 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3npo s LEU 46 Cb -0.05 -2.19 0.13 0.00 0.03 0.00 0.00 46.19 44.11 3npo s LEU 46 CO -0.06 0.07 0.23 -0.54 0.23 0.00 0.00 176.35 176.28 3npo s LYS 47 N 0.93 1.67 0.21 1.70 1.02 0.65 -1.55 119.74 124.37 3npo s LYS 47 Ca 0.10 -2.31 -0.30 0.00 0.02 0.00 0.00 55.97 53.48 3npo s LYS 47 Cb -0.13 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 3npo s LYS 47 CO 0.04 -1.10 1.34 -1.25 -0.92 0.00 0.00 175.35 173.45 3npo s PRO 48 N 0.09 4.36 0.60 -1.68 0.04 -1.26 0.09 135.00 137.24 3npo s PRO 48 Ca 0.16 2.11 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 3npo s PRO 48 Cb -0.25 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 3npo s PRO 48 CO -0.02 -0.29 0.95 0.95 0.04 0.00 0.00 177.00 178.64 3npo s THR 49 N 0.09 4.17 0.36 1.26 -4.23 -0.54 -4.93 115.64 111.83 3npo s THR 49 Ca 0.57 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.51 3npo s THR 49 Cb -0.38 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.08 3npo s THR 49 CO 0.39 -0.77 2.00 -0.65 -0.54 0.00 0.00 174.62 175.05 3npo h PRO 50 N -0.24 0.76 0.00 3.99 0.11 -1.97 -0.48 132.00 134.17 3npo h PRO 50 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3npo h PRO 50 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3npo h PRO 50 CO 0.62 0.50 0.00 0.39 -0.21 0.00 0.00 178.00 179.30 3npo n GLU 51 N -4.46 0.64 -0.36 1.05 4.71 -1.26 -4.91 120.64 116.06 3npo n GLU 51 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 3npo n GLU 51 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 3npo n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3npo n GLY 52 N 0.59 0.79 3.78 0.62 0.00 -0.19 -4.98 105.19 105.80 3npo n GLY 52 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3npo n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3npo s ASP 53 N -2.21 3.69 -0.19 1.61 1.01 -1.26 -4.46 116.67 114.86 3npo s ASP 53 Ca 0.00 1.07 -0.00 0.00 0.71 0.00 0.00 52.55 54.33 3npo s ASP 53 Cb 0.00 -1.70 0.05 0.00 1.01 0.00 0.00 42.92 42.28 3npo s ASP 53 CO 0.00 -2.45 -0.06 -0.22 0.21 0.00 0.00 175.17 172.65 3npo s LEU 54 N -6.00 1.97 0.16 1.23 2.96 0.12 -1.46 118.68 117.65 3npo s LEU 54 Ca 0.63 -0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 3npo s LEU 54 Cb -0.15 -1.03 -0.07 0.00 0.50 0.00 0.00 46.19 45.44 3npo s LEU 54 CO 0.54 -0.20 0.62 -1.61 -1.32 0.00 0.00 176.35 174.38 3npo s GLU 55 N 1.53 4.13 -0.17 1.98 2.02 0.11 0.41 118.70 128.71 3npo s GLU 55 Ca -0.01 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.66 3npo s GLU 55 Cb -0.16 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.12 3npo s GLU 55 CO -0.07 0.48 -0.08 0.42 0.02 0.00 0.00 175.26 176.03 3npo s ILE 56 N -1.41 1.35 -0.14 -1.63 1.01 0.88 -0.25 121.20 121.01 3npo s ILE 56 Ca 0.38 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3npo s ILE 56 Cb -0.17 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3npo s ILE 56 CO 0.20 0.20 0.68 -0.76 0.00 0.00 0.00 174.94 175.26 3npo s LEU 57 N 1.54 4.22 0.12 2.97 1.43 -0.16 -1.71 118.68 127.09 3npo s LEU 57 Ca 0.01 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.09 3npo s LEU 57 Cb -0.15 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 3npo s LEU 57 CO -0.08 -0.22 0.10 -1.48 0.23 0.00 0.00 176.35 174.90 3npo s LEU 58 N 1.47 1.68 -0.01 1.79 -0.00 -0.70 -0.08 118.68 122.82 3npo s LEU 58 Ca 0.33 -1.04 -0.01 0.00 -0.00 0.00 0.00 54.13 53.41 3npo s LEU 58 Cb -0.17 0.55 -0.04 0.00 -0.00 0.00 0.00 46.19 46.54 3npo s LEU 58 CO 0.13 -0.74 0.10 -1.10 -0.00 0.00 0.00 176.35 174.74 3npo s GLN 59 N -3.99 3.15 -0.03 1.48 -0.21 -0.16 -1.20 119.66 118.70 3npo s GLN 59 Ca 0.18 -0.44 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 3npo s GLN 59 Cb 0.06 -2.92 0.03 0.00 1.00 0.00 0.00 33.01 31.19 3npo s GLN 59 CO -0.02 0.66 0.05 0.21 -2.12 0.00 0.00 175.29 174.07 3npo s LYS 60 N -1.71 -0.00 -0.62 2.91 2.36 0.32 -1.48 119.74 121.52 3npo s LYS 60 Ca 0.23 0.20 -0.28 0.00 -2.55 0.00 0.00 55.97 53.57 3npo s LYS 60 Cb -0.12 -0.19 0.02 0.00 -1.05 0.00 0.00 37.83 36.49 3npo s LYS 60 CO 0.14 -0.14 1.31 -0.46 1.55 0.00 0.00 175.35 177.75 3npo s TRP 61 N 0.91 2.38 0.00 4.03 -0.11 -1.26 0.84 118.94 125.72 3npo s TRP 61 Ca -0.07 0.31 0.00 0.00 1.22 0.00 0.00 56.10 57.55 3npo s TRP 61 Cb -0.10 -4.50 0.00 0.00 -1.50 0.00 0.00 33.47 27.37 3npo s TRP 61 CO -0.03 -1.88 0.00 0.39 -4.62 0.00 0.00 176.95 170.81 3npo n GLU 62 N 8.82 0.00 -2.96 5.86 1.02 -0.32 -4.20 120.64 128.87 3npo n GLU 62 Ca 0.08 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.00 3npo n GLU 62 Cb 0.49 -0.38 -0.04 0.00 -0.02 0.00 0.00 31.44 31.50 3npo n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3npo n ASN 63 N -2.11 3.91 -0.20 1.62 3.02 -1.26 -4.80 115.26 115.43 3npo n ASN 63 Ca 0.00 -3.58 -0.03 0.00 -0.03 0.00 0.00 54.58 50.95 3npo n ASN 63 Cb 0.00 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.59 3npo n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3npo n GLY 64 N -0.18 0.54 3.01 7.41 0.00 -1.26 -5.02 105.19 109.69 3npo n GLY 64 Ca 0.30 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3npo n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3npo s GLU 65 N -1.39 0.40 -0.52 1.61 -1.05 -1.26 -5.11 118.70 111.38 3npo s GLU 65 Ca 0.00 -0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 53.97 3npo s GLU 65 Cb 0.00 -0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.55 3npo s GLU 65 CO 0.00 0.02 1.30 0.00 0.95 0.00 0.00 175.26 177.53 3npo s ALA 67 N 5.30 3.87 -0.18 0.00 0.00 0.25 -4.87 121.76 126.11 3npo s ALA 67 Ca 0.51 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3npo s ALA 67 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3npo s ALA 67 CO 0.28 0.68 0.56 -1.14 0.00 0.00 0.00 175.76 176.15 3npo s GLN 68 N -1.98 4.22 0.04 0.00 2.00 -1.26 -0.52 119.66 122.16 3npo s GLN 68 Ca 0.30 0.51 0.04 0.00 -2.00 0.00 0.00 55.36 54.21 3npo s GLN 68 Cb -0.13 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.11 3npo s GLN 68 CO 0.19 -0.14 -0.11 0.15 -0.50 0.00 0.00 175.29 174.88 3npo s LYS 69 N 1.59 0.71 -0.16 1.67 1.02 -0.34 -4.99 119.74 119.24 3npo s LYS 69 Ca 0.26 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.58 3npo s LYS 69 Cb -0.16 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 3npo s LYS 69 CO 0.10 0.15 -0.16 0.21 -0.92 0.00 0.00 175.35 174.73 3npo s LYS 70 N -1.17 2.58 -0.07 1.68 2.20 -1.26 -1.72 119.74 121.98 3npo s LYS 70 Ca -0.02 -0.69 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3npo s LYS 70 Cb -0.08 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 3npo s LYS 70 CO 0.01 -0.23 -0.04 0.42 -0.36 0.00 0.00 175.35 175.15 3npo s ILE 71 N 1.40 3.96 -0.24 5.43 -1.09 -0.69 -4.96 121.20 125.01 3npo s ILE 71 Ca 0.05 -0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3npo s ILE 71 Cb -0.13 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.11 3npo s ILE 71 CO -0.12 0.59 -0.03 -0.51 -1.23 0.00 0.00 174.94 173.64 3npo s ILE 72 N -0.86 3.30 -0.35 2.92 2.07 -1.26 -0.09 121.20 126.93 3npo s ILE 72 Ca 0.13 -0.72 -0.19 0.00 -1.41 0.00 0.00 60.65 58.46 3npo s ILE 72 Cb -0.11 -2.60 -0.00 0.00 0.13 0.00 0.00 42.46 39.88 3npo s ILE 72 CO 0.02 0.28 0.56 0.00 -1.91 0.00 0.00 174.94 173.89 3npo s ALA 73 N 1.43 3.47 0.15 1.50 0.00 0.17 -4.65 121.76 123.81 3npo s ALA 73 Ca 0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 3npo s ALA 73 Cb -0.16 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3npo s ALA 73 CO -0.03 -1.28 0.92 -1.21 0.00 0.00 0.00 175.76 174.16 3npo s GLU 74 N 2.51 4.71 0.65 0.00 2.02 0.11 -0.71 118.70 128.00 3npo s GLU 74 Ca 0.21 1.40 -0.17 0.00 0.02 0.00 0.00 54.97 56.43 3npo s GLU 74 Cb -0.15 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 3npo s GLU 74 CO 0.14 0.34 1.20 -1.59 0.02 0.00 0.00 175.26 175.37 3npo s LYS 75 N -0.44 2.61 0.00 1.61 -2.85 -1.26 -0.05 119.74 119.36 3npo s LYS 75 Ca 0.43 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 3npo s LYS 75 Cb -0.24 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.64 3npo s LYS 75 CO 0.29 -1.47 0.00 0.25 0.10 0.00 0.00 175.35 174.52 3npo n THR 76 N -2.12 0.00 0.23 3.79 -2.24 -1.09 -4.77 114.28 108.08 3npo n THR 76 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 3npo n THR 76 Cb 0.50 -0.15 0.38 0.00 -2.10 0.00 0.00 70.33 68.96 3npo n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3npo h LYS 77 N 0.00 0.00 -5.50 -0.78 6.56 -1.97 -3.40 116.57 111.48 3npo h LYS 77 Ca 0.00 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.98 3npo h LYS 77 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.55 3npo h LYS 77 CO 0.00 0.14 0.04 0.42 -2.06 0.00 0.00 179.45 177.99 3npo s ILE 78 N -3.44 5.05 0.14 1.86 1.01 -1.26 -4.97 121.20 119.59 3npo s ILE 78 Ca 0.03 1.01 0.34 0.00 0.00 0.00 0.00 60.65 62.03 3npo s ILE 78 Cb 0.08 -3.88 0.36 0.00 0.01 0.00 0.00 42.46 39.04 3npo s ILE 78 CO 0.64 0.11 2.02 -0.65 0.00 0.00 0.00 174.94 177.05 3npo h PRO 79 N 7.72 0.00 -0.22 2.79 0.11 -1.95 -2.38 132.00 138.06 3npo h PRO 79 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3npo h PRO 79 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3npo h PRO 79 CO 0.75 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 3npo n ALA 80 N -2.00 2.48 -3.09 -0.75 0.00 -1.26 -4.89 120.51 111.00 3npo n ALA 80 Ca -0.01 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.42 3npo n ALA 80 Cb 0.19 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.50 3npo n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3npo s VAL 81 N -1.73 1.76 0.24 0.00 1.01 -0.90 -0.93 120.40 119.86 3npo s VAL 81 Ca 0.35 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3npo s VAL 81 Cb 0.20 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3npo s VAL 81 CO 0.30 0.49 -0.08 -0.36 0.00 0.00 0.00 175.10 175.45 3npo s PHE 82 N 0.22 1.79 -0.03 5.22 0.40 0.46 -2.67 117.98 123.38 3npo s PHE 82 Ca -0.12 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.54 3npo s PHE 82 Cb -0.15 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.42 3npo s PHE 82 CO 0.05 0.25 -0.07 -1.59 0.70 0.00 0.00 175.22 174.56 3npo s LYS 83 N -3.72 0.80 -0.14 0.44 -2.85 0.93 -1.25 119.74 113.95 3npo s LYS 83 Ca 0.27 -0.23 -0.04 0.00 -1.00 0.00 0.00 55.97 54.97 3npo s LYS 83 Cb 0.03 -0.77 -0.03 0.00 -2.06 0.00 0.00 37.83 34.99 3npo s LYS 83 CO 0.09 0.06 -0.01 0.42 0.10 0.00 0.00 175.35 176.02 3npo s ILE 84 N 0.31 4.20 0.27 3.79 1.01 -0.15 0.06 121.20 130.67 3npo s ILE 84 Ca -0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3npo s ILE 84 Cb -0.09 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 3npo s ILE 84 CO 0.00 0.53 1.22 -0.62 0.00 0.00 0.00 174.94 176.07 3npo s ASP 85 N -0.08 7.02 0.04 3.58 -1.08 -1.26 -1.80 116.67 123.09 3npo s ASP 85 Ca 0.03 2.42 -0.24 0.00 -0.52 0.00 0.00 52.55 54.24 3npo s ASP 85 Cb -0.13 -2.63 0.08 0.00 -1.46 0.00 0.00 42.92 38.78 3npo s ASP 85 CO 0.02 -0.37 1.10 0.00 0.52 0.00 0.00 175.17 176.44 3npo n ALA 86 N 1.52 -3.04 -0.20 3.66 0.00 -1.26 -4.89 120.51 116.30 3npo n ALA 86 Ca 0.01 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 3npo n ALA 86 Cb 0.43 0.26 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 3npo n ALA 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3npo h LEU 87 N 0.00 -1.46 -9.38 0.00 6.46 -2.06 -3.24 115.31 105.63 3npo h LEU 87 Ca -0.21 0.21 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 3npo h LEU 87 Cb 1.08 0.62 -0.08 0.00 -0.73 0.00 0.00 40.66 41.55 3npo h LEU 87 CO 0.30 -0.23 -0.20 0.21 -0.62 0.00 0.00 178.44 177.90 3npo s ASN 88 N -4.60 6.64 -0.08 1.25 2.47 -1.26 -5.09 114.94 114.26 3npo s ASN 88 Ca -0.10 0.76 -0.04 0.00 0.42 0.00 0.00 52.86 53.90 3npo s ASN 88 Cb 0.07 -2.25 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 3npo s ASN 88 CO 0.45 0.09 0.10 -1.83 -3.72 0.00 0.00 177.10 172.18 3npo s GLU 89 N 0.27 3.26 -0.04 0.43 4.04 -1.22 -4.93 118.70 120.50 3npo s GLU 89 Ca 0.23 -0.28 0.06 0.00 0.04 0.00 0.00 54.97 55.03 3npo s GLU 89 Cb -0.15 -3.02 -0.02 0.00 0.02 0.00 0.00 34.13 30.96 3npo s GLU 89 CO 0.09 0.73 -0.23 -0.80 -1.84 0.00 0.00 175.26 173.21 3npo s ASN 90 N -1.17 3.31 0.07 0.83 0.01 -0.74 -4.04 114.94 113.20 3npo s ASN 90 Ca 0.17 -0.41 -0.25 0.00 -0.71 0.00 0.00 52.86 51.66 3npo s ASN 90 Cb -0.12 -0.59 -0.06 0.00 0.41 0.00 0.00 41.25 40.89 3npo s ASN 90 CO 0.06 0.31 0.77 -0.54 -1.51 0.00 0.00 177.10 176.19 3npo s LYS 91 N -0.52 4.51 -0.18 -0.60 1.02 -0.19 -0.98 119.74 122.80 3npo s LYS 91 Ca 0.07 1.09 -0.08 0.00 0.02 0.00 0.00 55.97 57.07 3npo s LYS 91 Cb -0.11 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3npo s LYS 91 CO 0.00 0.34 0.07 0.08 -0.92 0.00 0.00 175.35 174.93 3npo s VAL 92 N -0.28 4.88 -0.10 3.17 1.01 -0.38 -0.71 120.40 127.99 3npo s VAL 92 Ca 0.38 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3npo s VAL 92 Cb -0.21 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3npo s VAL 92 CO 0.24 0.47 -0.23 -0.76 0.00 0.00 0.00 175.10 174.81 3npo s LEU 93 N 0.30 2.06 -0.41 3.92 2.01 -0.32 -0.41 118.68 125.83 3npo s LEU 93 Ca 0.04 -0.55 -0.26 0.00 0.01 0.00 0.00 54.13 53.37 3npo s LEU 93 Cb -0.12 -1.38 0.02 0.00 0.01 0.00 0.00 46.19 44.72 3npo s LEU 93 CO -0.00 0.15 0.94 -0.69 1.01 0.00 0.00 176.35 177.76 3npo s VAL 94 N 0.40 4.52 0.07 -1.59 1.01 -0.10 -1.44 120.40 123.26 3npo s VAL 94 Ca -0.18 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 3npo s VAL 94 Cb -0.18 -4.39 -0.28 0.00 0.00 0.00 0.00 36.38 31.53 3npo s VAL 94 CO 0.08 -0.68 1.14 -0.07 0.00 0.00 0.00 175.10 175.57 3npo h LEU 95 N 10.34 0.54 -7.00 3.92 3.38 -1.10 -1.13 115.31 124.25 3npo h LEU 95 Ca -0.23 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 57.35 3npo h LEU 95 Cb 1.08 -0.17 -0.32 0.00 0.09 0.00 0.00 40.66 41.33 3npo h LEU 95 CO 1.01 1.41 0.80 -0.62 0.09 0.00 0.00 178.44 181.13 3npo s ASP 96 N -7.23 -0.13 -0.07 -0.43 2.15 -1.19 -2.58 116.67 107.18 3npo s ASP 96 Ca -0.05 0.24 -0.24 0.00 0.43 0.00 0.00 52.55 52.93 3npo s ASP 96 Cb 0.07 0.29 0.05 0.00 -0.30 0.00 0.00 42.92 43.03 3npo s ASP 96 CO 0.90 -0.04 0.55 0.28 -0.17 0.00 0.00 175.17 176.68 3npo s THR 97 N 0.12 0.02 -1.82 1.71 -1.32 -1.26 0.23 115.64 113.31 3npo s THR 97 Ca 0.06 -0.15 0.19 0.00 -1.21 0.00 0.00 61.69 60.58 3npo s THR 97 Cb -0.05 -0.84 0.46 0.00 -1.51 0.00 0.00 72.50 70.56 3npo s THR 97 CO -0.14 -0.08 1.38 -0.90 -2.21 0.00 0.00 174.62 172.67 3npo n ASP 98 N 1.39 3.43 0.00 8.08 5.68 -0.96 -4.98 116.55 129.20 3npo n ASP 98 Ca -0.19 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 3npo n ASP 98 Cb 0.56 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3npo n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3npo n TYR 99 N 1.26 0.00 0.02 2.11 4.01 -1.25 -4.51 117.16 118.80 3npo n TYR 99 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3npo n TYR 99 Cb 0.55 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 3npo n TYR 99 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3npo n LYS 100 N 0.00 0.63 0.03 -0.72 2.85 -1.26 -4.76 118.16 114.93 3npo n LYS 100 Ca 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 3npo n LYS 100 Cb 0.00 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 3npo n LYS 100 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3npo n LYS 101 N -2.84 0.00 -4.31 -1.58 5.02 -1.26 -4.76 118.16 108.43 3npo n LYS 101 Ca -0.10 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3npo n LYS 101 Cb 0.84 -0.43 -0.11 0.00 -0.02 0.00 0.00 35.03 35.31 3npo n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3npo s TYR 102 N -2.00 1.66 -0.06 2.13 1.13 -1.26 -1.03 117.35 117.92 3npo s TYR 102 Ca 0.00 -0.54 -0.03 0.00 -1.41 0.00 0.00 57.07 55.09 3npo s TYR 102 Cb 0.00 -0.81 0.03 0.00 -1.10 0.00 0.00 41.96 40.08 3npo s TYR 102 CO 0.00 0.29 0.13 -1.17 -2.51 0.00 0.00 175.55 172.29 3npo s LEU 103 N -2.89 1.04 -0.13 -3.49 0.20 -0.47 -2.25 118.68 110.69 3npo s LEU 103 Ca 0.17 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 55.24 3npo s LEU 103 Cb -0.03 0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 46.06 3npo s LEU 103 CO 0.06 -0.11 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.16 3npo s LEU 104 N 0.76 3.00 0.06 -0.68 1.43 0.13 -0.65 118.68 122.74 3npo s LEU 104 Ca -0.06 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3npo s LEU 104 Cb -0.08 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3npo s LEU 104 CO -0.04 0.21 0.16 0.72 0.23 0.00 0.00 176.35 177.63 3npo s PHE 105 N 0.12 0.16 0.06 0.29 -0.12 -0.95 -0.71 117.98 116.84 3npo s PHE 105 Ca -0.04 -0.50 0.05 0.00 -0.05 0.00 0.00 56.93 56.40 3npo s PHE 105 Cb -0.14 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3npo s PHE 105 CO 0.04 -0.46 -0.15 0.00 -0.05 0.00 0.00 175.22 174.60 3npo s MET 107 N -1.55 3.14 0.12 0.00 1.75 0.42 -1.17 119.30 122.00 3npo s MET 107 Ca 0.00 -0.81 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 3npo s MET 107 Cb -0.09 -2.48 -0.04 0.00 2.84 0.00 0.00 34.83 35.06 3npo s MET 107 CO 0.02 0.10 -0.11 -1.83 -0.65 0.00 0.00 175.02 172.55 3npo s GLU 108 N 0.58 0.96 0.38 4.11 -1.05 0.12 -1.04 118.70 122.76 3npo s GLU 108 Ca -0.11 -1.27 -0.08 0.00 -0.15 0.00 0.00 54.97 53.35 3npo s GLU 108 Cb -0.16 -0.66 -0.06 0.00 -0.44 0.00 0.00 34.13 32.81 3npo s GLU 108 CO 0.03 0.10 0.71 0.54 0.95 0.00 0.00 175.26 177.60 3npo s ASN 109 N -2.67 6.47 0.42 0.83 6.03 -1.07 -1.02 114.94 123.93 3npo s ASN 109 Ca 0.10 0.99 0.22 0.00 -1.03 0.00 0.00 52.86 53.14 3npo s ASN 109 Cb -0.02 -2.26 0.90 0.00 -3.03 0.00 0.00 41.25 36.84 3npo s ASN 109 CO 0.01 -0.36 1.83 0.28 -2.03 0.00 0.00 177.10 176.83 3npo h SER 110 N 1.26 0.00 -2.99 3.54 0.02 -1.92 -3.44 113.55 110.03 3npo h SER 110 Ca -0.47 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.93 3npo h SER 110 Cb 1.19 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.94 3npo h SER 110 CO 0.64 0.28 -0.86 0.00 -1.14 0.00 0.00 176.83 175.76 3npo n ALA 111 N -2.28 -3.06 -2.33 3.77 0.00 -1.26 -5.02 120.51 110.32 3npo n ALA 111 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 3npo n ALA 111 Cb 0.43 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 3npo n ALA 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3npo n GLU 112 N -0.41 -4.72 -3.18 0.00 1.02 -1.26 -4.54 120.64 107.55 3npo n GLU 112 Ca 0.05 3.49 -0.23 0.00 -0.02 0.00 0.00 57.16 60.45 3npo n GLU 112 Cb 0.53 -4.56 -0.05 0.00 -0.02 0.00 0.00 31.44 27.34 3npo n GLU 112 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3npo n PRO 113 N 1.68 1.63 -1.75 3.49 -0.04 -1.26 -4.90 135.00 133.85 3npo n PRO 113 Ca -0.11 -3.86 0.00 0.00 -0.04 0.00 0.00 63.50 59.49 3npo n PRO 113 Cb 0.17 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 3npo n PRO 113 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3npo n GLU 114 N 0.59 0.00 -0.15 0.54 -0.58 -1.26 -5.09 120.64 114.69 3npo n GLU 114 Ca 0.26 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.96 3npo n GLU 114 Cb 0.53 -2.15 -0.04 0.00 -0.57 0.00 0.00 31.44 29.21 3npo n GLU 114 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3npo n GLN 115 N -0.60 -0.16 -1.53 3.49 6.02 -1.26 -4.57 117.38 118.76 3npo n GLN 115 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.03 3npo n GLN 115 Cb 0.38 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3npo n GLN 115 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3npo n SER 116 N -3.80 -0.34 -3.64 1.08 2.88 -1.26 -4.47 113.62 104.07 3npo n SER 116 Ca 0.01 1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 58.48 3npo n SER 116 Cb 0.09 -1.64 -0.07 0.00 -0.75 0.00 0.00 64.21 61.85 3npo n SER 116 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3npo s LEU 117 N -0.02 -0.40 -0.01 2.46 2.96 -1.26 -2.59 118.68 119.82 3npo s LEU 117 Ca 0.00 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3npo s LEU 117 Cb 0.00 1.79 0.00 0.00 0.50 0.00 0.00 46.19 48.49 3npo s LEU 117 CO 0.00 -0.14 0.04 0.00 -1.32 0.00 0.00 176.35 174.92 3npo s ALA 118 N 0.16 -0.09 0.11 5.97 0.00 -0.20 -1.27 121.76 126.45 3npo s ALA 118 Ca 0.04 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.10 3npo s ALA 118 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3npo s ALA 118 CO -0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 175.76 175.53 3npo s GLN 120 N -2.75 0.74 -0.47 0.00 -0.21 0.01 -0.60 119.66 116.38 3npo s GLN 120 Ca 0.08 -0.52 -0.21 0.00 0.02 0.00 0.00 55.36 54.73 3npo s GLN 120 Cb -0.04 -0.69 0.03 0.00 1.00 0.00 0.00 33.01 33.32 3npo s GLN 120 CO 0.02 0.18 0.69 0.00 -2.12 0.00 0.00 175.29 174.06 3npo s LEU 122 N 2.98 4.42 0.19 0.00 1.43 0.18 -1.68 118.68 126.19 3npo s LEU 122 Ca 0.23 1.11 0.10 0.00 -1.03 0.00 0.00 54.13 54.53 3npo s LEU 122 Cb -0.15 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3npo s LEU 122 CO 0.18 0.14 -0.21 0.68 0.23 0.00 0.00 176.35 177.37 3npo s VAL 123 N -0.31 2.07 0.16 -1.59 -7.23 0.95 -1.37 120.40 113.08 3npo s VAL 123 Ca 0.29 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 3npo s VAL 123 Cb -0.18 -1.99 -0.17 0.00 0.56 0.00 0.00 36.38 34.61 3npo s VAL 123 CO 0.16 -0.25 1.35 0.03 -0.31 0.00 0.00 175.10 176.08 3npo h ARG 124 N 3.15 0.10 -6.62 4.82 2.47 -1.34 0.42 114.38 117.38 3npo h ARG 124 Ca -0.44 -0.13 -0.65 0.00 -1.26 0.00 0.00 59.98 57.50 3npo h ARG 124 Cb 1.21 0.04 -0.18 0.00 -1.65 0.00 0.00 29.97 29.39 3npo h ARG 124 CO 0.51 0.95 -0.81 0.95 0.56 0.00 0.00 179.97 182.12 3npo s THR 125 N -3.03 2.49 -0.92 2.04 -4.23 -1.26 -4.68 115.64 106.04 3npo s THR 125 Ca -0.01 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.37 3npo s THR 125 Cb 0.10 -2.19 -0.11 0.00 1.34 0.00 0.00 72.50 71.64 3npo s THR 125 CO 0.82 -0.09 2.02 -0.81 -0.54 0.00 0.00 174.62 176.02 3npo n PRO 126 N 0.30 1.85 -3.93 3.99 -0.04 -1.26 -4.81 135.00 131.10 3npo n PRO 126 Ca -0.13 -1.92 -0.10 0.00 -0.04 0.00 0.00 63.50 61.31 3npo n PRO 126 Cb 0.56 -2.91 -0.10 0.00 -0.04 0.00 0.00 33.50 31.00 3npo n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3npo s GLU 127 N 4.42 0.39 -0.49 0.54 2.02 -1.26 -4.63 118.70 119.69 3npo s GLU 127 Ca 0.53 -0.51 -0.27 0.00 0.02 0.00 0.00 54.97 54.74 3npo s GLU 127 Cb 0.14 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.55 3npo s GLU 127 CO 0.06 -0.08 1.04 0.08 0.02 0.00 0.00 175.26 176.38 3npo s VAL 128 N -1.42 4.30 -0.68 2.63 1.01 -1.26 -4.98 120.40 120.00 3npo s VAL 128 Ca -0.15 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 3npo s VAL 128 Cb -0.09 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 31.88 3npo s VAL 128 CO 0.00 -1.00 0.75 -0.62 0.00 0.00 0.00 175.10 174.23 3npo s ASP 129 N 2.49 6.35 0.22 3.32 -1.08 -1.26 -4.94 116.67 121.77 3npo s ASP 129 Ca 0.41 -1.80 -0.14 0.00 -0.52 0.00 0.00 52.55 50.51 3npo s ASP 129 Cb -0.09 -2.29 0.27 0.00 -1.46 0.00 0.00 42.92 39.36 3npo s ASP 129 CO 0.28 -0.98 1.60 0.44 0.52 0.00 0.00 175.17 177.03 3npo h ASP 130 N 8.84 -0.82 -0.48 -0.34 3.32 -1.99 -1.01 116.42 123.94 3npo h ASP 130 Ca -0.16 0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3npo h ASP 130 Cb 1.07 0.50 -0.05 0.00 0.22 0.00 0.00 39.33 41.07 3npo h ASP 130 CO 1.03 -0.26 0.20 -0.08 -1.72 0.00 0.00 179.24 178.40 3npo h GLU 131 N -0.03 0.38 -0.48 3.56 4.81 -2.00 -1.62 114.58 119.19 3npo h GLU 131 Ca 0.34 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3npo h GLU 131 Cb 0.55 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3npo h GLU 131 CO -0.77 0.25 0.19 0.00 -0.73 0.00 0.00 179.01 177.95 3npo h ALA 132 N 1.30 0.62 -0.39 2.92 0.00 -1.79 -2.63 119.26 119.30 3npo h ALA 132 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3npo h ALA 132 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3npo h ALA 132 CO -0.20 0.23 0.04 -0.07 0.00 0.00 0.00 179.25 179.25 3npo h LEU 133 N 0.64 0.55 0.22 0.00 3.38 -0.98 -0.22 115.31 118.89 3npo h LEU 133 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3npo h LEU 133 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3npo h LEU 133 CO -0.01 0.60 -0.11 -0.33 0.09 0.00 0.00 178.44 178.68 3npo h GLU 134 N 0.57 -0.29 -1.00 1.13 5.08 -1.14 -1.52 114.58 117.42 3npo h GLU 134 Ca 0.12 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 3npo h GLU 134 Cb 0.31 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3npo h GLU 134 CO 0.01 -0.13 0.63 0.87 -1.00 0.00 0.00 179.01 179.39 3npo h LYS 135 N -0.37 1.01 -0.45 2.33 1.57 -1.18 -0.92 116.57 118.56 3npo h LYS 135 Ca -0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3npo h LYS 135 Cb 0.29 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3npo h LYS 135 CO 0.05 0.67 0.21 0.35 -0.57 0.00 0.00 179.45 180.16 3npo h PHE 136 N 1.04 0.67 -0.24 -1.35 3.57 -0.95 -1.96 116.94 117.71 3npo h PHE 136 Ca 0.48 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.84 3npo h PHE 136 Cb 0.39 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3npo h PHE 136 CO -0.00 0.55 -0.29 -0.44 -2.23 0.00 0.00 178.31 175.90 3npo h ASP 137 N 0.59 0.49 -0.25 0.41 3.32 -0.74 -1.18 116.42 119.07 3npo h ASP 137 Ca 0.15 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3npo h ASP 137 Cb 0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3npo h ASP 137 CO -0.02 0.76 -0.02 0.11 -1.72 0.00 0.00 179.24 178.35 3npo h LYS 138 N 0.42 0.45 -0.33 3.56 6.56 -1.13 -2.52 116.57 123.59 3npo h LYS 138 Ca 0.06 -0.16 -0.03 0.00 -1.06 0.00 0.00 60.65 59.46 3npo h LYS 138 Cb 0.72 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 3npo h LYS 138 CO 0.06 0.65 0.09 0.00 -2.06 0.00 0.00 179.45 178.19 3npo h ALA 139 N 0.79 1.55 -0.03 3.86 0.00 -1.11 -2.88 119.26 121.42 3npo h ALA 139 Ca 0.07 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3npo h ALA 139 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3npo h ALA 139 CO 0.02 0.34 -0.61 -0.07 0.00 0.00 0.00 179.25 178.93 3npo h LEU 140 N 0.47 0.14 -1.96 0.00 4.07 -1.06 -3.30 115.31 113.66 3npo h LEU 140 Ca 0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 3npo h LEU 140 Cb 0.16 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3npo h LEU 140 CO -0.01 0.71 -0.00 0.07 -1.08 0.00 0.00 178.44 178.13 3npo h LYS 141 N 0.09 0.00 0.00 1.13 2.10 -1.22 0.14 116.57 118.81 3npo h LYS 141 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3npo h LYS 141 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3npo h LYS 141 CO 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.54 3npo n ALA 142 N -2.09 2.09 -2.56 0.07 0.00 -1.24 -4.90 120.51 111.88 3npo n ALA 142 Ca -0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 3npo n ALA 142 Cb 0.23 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 3npo n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3npo s LEU 143 N -4.34 2.91 -1.24 0.00 1.43 0.49 -5.03 118.68 112.90 3npo s LEU 143 Ca 0.09 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 3npo s LEU 143 Cb 0.12 -1.58 0.19 0.00 0.03 0.00 0.00 46.19 44.95 3npo s LEU 143 CO 0.52 0.09 1.93 -0.81 0.23 0.00 0.00 176.35 178.31 3npo n PRO 144 N -0.04 4.13 -3.12 1.29 -0.04 -1.26 -4.96 135.00 130.99 3npo n PRO 144 Ca -0.10 -3.77 -0.35 0.00 -0.04 0.00 0.00 63.50 59.24 3npo n PRO 144 Cb 0.56 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.21 3npo n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3npo s MET 145 N -0.86 4.17 0.00 0.54 -1.94 -1.26 -4.45 119.30 115.49 3npo s MET 145 Ca 0.41 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 3npo s MET 145 Cb 0.12 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 34.20 3npo s MET 145 CO -0.01 0.33 0.17 0.72 -0.01 0.00 0.00 175.02 176.22 3npo n HIS 146 N 0.41 0.00 -3.90 -0.03 8.25 0.08 -4.95 115.22 115.08 3npo n HIS 146 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3npo n HIS 146 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.50 3npo n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3npo s ILE 147 N -0.15 0.04 -0.06 1.59 2.07 -1.03 -4.69 121.20 118.96 3npo s ILE 147 Ca 0.00 -0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 58.87 3npo s ILE 147 Cb 0.00 -0.15 0.04 0.00 0.13 0.00 0.00 42.46 42.48 3npo s ILE 147 CO 0.00 -0.19 0.13 -0.60 -1.91 0.00 0.00 174.94 172.37 3npo s ARG 148 N -0.57 0.03 0.18 3.50 3.52 -1.26 -1.81 118.95 122.55 3npo s ARG 148 Ca -0.06 0.43 0.11 0.00 -0.13 0.00 0.00 55.73 56.07 3npo s ARG 148 Cb -0.04 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.05 3npo s ARG 148 CO -0.00 -0.24 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.50 3npo s LEU 149 N 1.70 2.42 -0.06 -0.88 1.43 0.21 -5.00 118.68 118.52 3npo s LEU 149 Ca -0.03 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 3npo s LEU 149 Cb -0.12 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 44.99 3npo s LEU 149 CO -0.05 0.11 0.26 -0.55 0.23 0.00 0.00 176.35 176.35 3npo s SER 150 N -2.60 -0.20 0.08 2.29 0.15 -1.26 -1.12 113.70 111.04 3npo s SER 150 Ca 0.19 0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.21 3npo s SER 150 Cb -0.08 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 3npo s SER 150 CO 0.09 -0.26 -0.26 -0.36 1.20 0.00 0.00 173.24 173.65 3npo s PHE 151 N -0.60 2.25 0.61 3.44 0.08 -0.20 -5.01 117.98 118.56 3npo s PHE 151 Ca -0.07 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3npo s PHE 151 Cb -0.04 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.15 3npo s PHE 151 CO 0.02 0.21 0.89 0.54 -0.10 0.00 0.00 175.22 176.78 3npo s ASN 152 N -1.58 5.20 0.52 1.36 2.20 -1.26 -4.90 114.94 116.48 3npo s ASN 152 Ca 0.12 0.36 0.18 0.00 -0.94 0.00 0.00 52.86 52.58 3npo s ASN 152 Cb -0.10 -1.20 1.31 0.00 -2.00 0.00 0.00 41.25 39.26 3npo s ASN 152 CO 0.04 -1.28 2.12 -0.65 -2.94 0.00 0.00 177.10 174.39 3npo h PRO 153 N -0.23 0.00 -0.09 3.55 0.11 -1.94 -1.78 132.00 131.62 3npo h PRO 153 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3npo h PRO 153 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3npo h PRO 153 CO 0.58 0.00 0.00 1.15 -0.21 0.00 0.00 178.00 179.52 3npo h THR 154 N 0.00 1.24 -0.45 -1.15 2.02 -1.95 -3.16 112.91 109.46 3npo h THR 154 Ca 0.05 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3npo h THR 154 Cb 0.21 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3npo h THR 154 CO -0.00 0.21 0.15 1.56 0.37 0.00 0.00 175.52 177.81 3npo h GLN 155 N -0.11 0.66 0.00 6.66 4.20 -1.79 -2.82 115.11 121.92 3npo h GLN 155 Ca 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3npo h GLN 155 Cb 0.33 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3npo h GLN 155 CO 0.00 0.57 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.62 3npo h LEU 156 N 0.65 0.00 -1.29 1.46 3.38 -1.31 -2.01 115.31 116.19 3npo h LEU 156 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3npo h LEU 156 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3npo h LEU 156 CO -0.01 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3npo n GLU 157 N -3.96 1.88 -4.21 1.13 -0.58 -1.06 -4.90 120.64 108.94 3npo n GLU 157 Ca -0.03 -1.29 -0.33 0.00 -0.42 0.00 0.00 57.16 55.09 3npo n GLU 157 Cb 0.14 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.47 3npo n GLU 157 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3npo s GLU 158 N -1.92 2.96 0.26 3.49 0.41 -0.76 -5.07 118.70 118.07 3npo s GLU 158 Ca 0.35 -0.50 -0.31 0.00 -0.41 0.00 0.00 54.97 54.10 3npo s GLU 158 Cb 0.20 -2.79 -0.13 0.00 -1.78 0.00 0.00 34.13 29.64 3npo s GLU 158 CO 0.31 0.65 1.51 1.04 -0.49 0.00 0.00 175.26 178.29 3npo n GLN 159 N 1.46 2.36 -2.03 1.61 1.13 -1.26 -1.62 117.38 119.03 3npo n GLN 159 Ca -0.15 0.84 -0.14 0.00 -1.94 0.00 0.00 57.00 55.61 3npo n GLN 159 Cb 0.53 -2.56 -0.03 0.00 0.11 0.00 0.00 30.24 28.29 3npo n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3npo n HIS 161 N -2.89 -1.77 0.00 0.00 8.25 -0.64 -5.04 115.22 113.13 3npo n HIS 161 Ca -0.16 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3npo n HIS 161 Cb 0.56 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.45 3npo n HIS 161 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09