#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2voi h MET 1 N 0.00 1.01 -0.36 -1.46 4.05 -2.05 -0.50 114.93 115.62 2voi h MET 1 Ca 0.00 -0.08 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 2voi h MET 1 Cb 0.00 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 2voi h MET 1 CO 0.00 0.70 -0.23 0.00 0.23 0.00 0.00 176.91 177.62 2voi h ALA 2 N 1.25 0.93 0.29 0.39 0.00 -2.01 0.30 119.26 120.41 2voi h ALA 2 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2voi h ALA 2 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2voi h ALA 2 CO -0.05 0.61 -0.14 0.93 0.00 0.00 0.00 179.25 180.60 2voi h GLU 3 N 0.61 -0.37 -0.72 0.00 5.08 -1.97 -1.02 114.58 116.19 2voi h GLU 3 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2voi h GLU 3 Cb 0.71 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2voi h GLU 3 CO 0.05 -0.13 0.46 0.66 -1.00 0.00 0.00 179.01 179.06 2voi h SER 4 N -0.56 0.83 -0.64 1.42 4.64 -1.06 -1.45 113.55 116.73 2voi h SER 4 Ca -0.04 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2voi h SER 4 Cb 0.41 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 2voi h SER 4 CO 0.06 0.61 0.27 -0.08 -0.87 0.00 0.00 176.83 176.82 2voi h GLU 5 N 0.98 0.94 -0.62 4.77 4.81 -0.80 -1.16 114.58 123.50 2voi h GLU 5 Ca 0.26 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2voi h GLU 5 Cb -0.09 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 2voi h GLU 5 CO -0.05 0.79 0.33 1.25 -0.73 0.00 0.00 179.01 180.60 2voi h LEU 6 N 0.89 0.78 -0.80 1.64 5.85 -0.60 -1.85 115.31 121.22 2voi h LEU 6 Ca 0.21 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2voi h LEU 6 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2voi h LEU 6 CO -0.02 0.66 -0.19 0.24 -0.34 0.00 0.00 178.44 178.79 2voi h MET 7 N 0.84 0.70 -0.37 1.25 2.86 -1.04 -0.88 114.93 118.30 2voi h MET 7 Ca 0.22 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2voi h MET 7 Cb 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2voi h MET 7 CO -0.03 0.84 -0.09 1.25 1.06 0.00 0.00 176.91 179.94 2voi h HIS 8 N 0.62 0.81 -0.57 -0.22 -0.00 -1.12 -1.90 115.15 112.77 2voi h HIS 8 Ca 0.10 -0.17 0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2voi h HIS 8 Cb 0.66 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2voi h HIS 8 CO 0.03 0.87 0.35 0.82 -0.00 0.00 0.00 177.93 180.00 2voi h ILE 9 N 0.52 1.09 -0.71 6.26 2.04 -1.25 -1.64 117.51 123.82 2voi h ILE 9 Ca 0.09 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2voi h ILE 9 Cb 0.61 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2voi h ILE 9 CO 0.04 0.13 0.44 -0.74 0.00 0.00 0.00 178.15 178.02 2voi h HIS 10 N 0.71 0.83 -0.54 1.37 2.76 -1.02 -0.09 115.15 119.16 2voi h HIS 10 Ca 0.22 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 2voi h HIS 10 Cb -0.01 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 2voi h HIS 10 CO -0.05 0.47 -0.10 0.66 -1.30 0.00 0.00 177.93 177.61 2voi h SER 11 N 0.86 1.02 -0.27 3.26 4.64 -1.01 -0.05 113.55 122.00 2voi h SER 11 Ca 0.29 -0.35 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2voi h SER 11 Cb 0.03 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2voi h SER 11 CO -0.11 1.13 0.14 -0.07 -0.87 0.00 0.00 176.83 177.04 2voi h LEU 12 N 0.89 0.21 -0.64 5.97 3.38 -1.00 -0.99 115.31 123.13 2voi h LEU 12 Ca 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2voi h LEU 12 Cb 0.66 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2voi h LEU 12 CO 0.05 0.16 0.24 0.00 0.09 0.00 0.00 178.44 178.98 2voi h ALA 13 N 1.14 0.83 -0.17 1.53 0.00 -0.77 -1.37 119.26 120.44 2voi h ALA 13 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2voi h ALA 13 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2voi h ALA 13 CO -0.07 0.46 0.11 0.93 0.00 0.00 0.00 179.25 180.68 2voi h GLU 14 N 0.90 0.23 -0.61 0.00 5.08 -0.84 -1.95 114.58 117.39 2voi h GLU 14 Ca 0.21 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2voi h GLU 14 Cb 0.22 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2voi h GLU 14 CO -0.02 0.17 0.10 0.45 -1.00 0.00 0.00 179.01 178.71 2voi h HIS 15 N 0.22 1.05 -0.54 4.33 3.86 -1.01 -0.21 115.15 122.84 2voi h HIS 15 Ca 0.06 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2voi h HIS 15 Cb -0.01 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.15 2voi h HIS 15 CO -0.06 0.89 0.13 -0.92 0.86 0.00 0.00 177.93 178.83 2voi h TYR 16 N 0.93 0.91 -0.00 2.45 3.20 -1.13 -1.63 116.97 121.70 2voi h TYR 16 Ca 0.19 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 2voi h TYR 16 Cb 0.41 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2voi h TYR 16 CO 0.03 0.79 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.69 2voi h LEU 17 N 0.77 0.01 -0.33 2.82 3.38 -1.14 -0.81 115.31 120.01 2voi h LEU 17 Ca 0.17 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2voi h LEU 17 Cb 0.34 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2voi h LEU 17 CO 0.00 0.58 -0.19 1.56 0.09 0.00 0.00 178.44 180.48 2voi h GLN 18 N 0.01 0.72 -0.50 1.13 4.20 -0.95 -2.01 115.11 117.70 2voi h GLN 18 Ca -0.01 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.45 2voi h GLN 18 Cb 1.02 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 2voi h GLN 18 CO 0.08 0.93 0.16 -0.92 -0.67 0.00 0.00 178.83 178.41 2voi h TYR 19 N 0.49 0.29 -0.37 2.96 3.20 -1.13 0.66 116.97 123.07 2voi h TYR 19 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2voi h TYR 19 Cb 0.74 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2voi h TYR 19 CO 0.06 0.08 0.08 0.28 -1.64 0.00 0.00 178.16 177.02 2voi h VAL 20 N 0.33 1.17 -0.30 1.81 2.07 -0.97 -1.64 116.25 118.73 2voi h VAL 20 Ca 0.25 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2voi h VAL 20 Cb 0.28 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2voi h VAL 20 CO -0.26 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.73 2voi n LEU 21 N -4.33 2.03 -3.71 2.57 4.77 -0.77 -4.96 117.00 112.59 2voi n LEU 21 Ca 0.02 -0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 54.82 2voi n LEU 21 Cb 0.19 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2voi n LEU 21 CO 0.38 0.47 -0.09 0.00 -1.33 0.00 0.00 177.39 176.81 2voi n GLN 22 N 0.58 -3.65 -5.14 3.23 1.13 -0.62 -5.00 117.38 107.92 2voi n GLN 22 Ca 0.15 0.56 -0.32 0.00 -1.94 0.00 0.00 57.00 55.45 2voi n GLN 22 Cb 0.35 -4.88 -0.15 0.00 0.11 0.00 0.00 30.24 25.67 2voi n GLN 22 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2voi s VAL 23 N -3.66 2.43 0.01 5.09 1.01 0.13 -5.03 120.40 120.38 2voi s VAL 23 Ca 0.13 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 2voi s VAL 23 Cb -0.04 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2voi s VAL 23 CO 0.83 0.58 0.52 -2.65 0.00 0.00 0.00 175.10 174.38 2voi n PRO 24 N 2.57 0.00 -0.00 2.72 -0.02 -1.26 -4.54 135.00 134.47 2voi n PRO 24 Ca -0.17 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2voi n PRO 24 Cb 0.52 -0.74 -0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2voi n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2voi h ALA 25 N 1.45 0.00 0.00 3.55 0.00 -1.96 -3.48 119.26 118.81 2voi h ALA 25 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2voi h ALA 25 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2voi h ALA 25 CO 0.32 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.76 2voi n PHE 26 N -2.12 0.00 -0.06 0.00 3.01 -1.26 -4.62 117.46 112.41 2voi n PHE 26 Ca -0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2voi n PHE 26 Cb 0.00 -0.79 -0.02 0.00 -0.01 0.00 0.00 39.48 38.67 2voi n PHE 26 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2voi n GLU 27 N -2.00 0.38 -4.19 -1.08 4.71 -1.26 -5.08 120.64 112.12 2voi n GLU 27 Ca 0.00 0.34 -0.12 0.00 -0.01 0.00 0.00 57.16 57.38 2voi n GLU 27 Cb 0.00 -1.38 -0.10 0.00 -1.01 0.00 0.00 31.44 28.95 2voi n GLU 27 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2voi s SER 28 N -5.35 0.16 0.37 1.62 1.04 -1.26 -5.15 113.70 105.13 2voi s SER 28 Ca -0.16 -1.36 -0.26 0.00 0.48 0.00 0.00 55.95 54.66 2voi s SER 28 Cb 0.02 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 2voi s SER 28 CO 0.24 -0.84 1.12 0.00 0.98 0.00 0.00 173.24 174.73 2voi s ALA 29 N -4.14 3.19 0.35 5.32 0.00 -1.26 -4.92 121.76 120.30 2voi s ALA 29 Ca 0.37 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2voi s ALA 29 Cb 0.07 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 2voi s ALA 29 CO 0.11 -0.34 1.02 -2.30 0.00 0.00 0.00 175.76 174.25 2voi n PRO 30 N 0.27 1.41 -0.97 0.00 -0.02 -1.26 -5.00 135.00 129.44 2voi n PRO 30 Ca 0.03 0.50 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 2voi n PRO 30 Cb 0.47 -1.97 0.21 0.00 -0.02 0.00 0.00 33.50 32.19 2voi n PRO 30 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2voi s SER 31 N -0.61 1.90 0.19 2.55 1.04 -1.26 -4.84 113.70 112.67 2voi s SER 31 Ca 0.60 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 58.13 2voi s SER 31 Cb -0.62 -1.91 0.10 0.00 0.10 0.00 0.00 66.02 63.69 2voi s SER 31 CO 0.59 -3.59 1.83 -0.61 0.98 0.00 0.00 173.24 172.45 2voi h GLN 32 N -2.20 0.84 -0.85 4.02 4.15 -2.00 -2.16 115.11 116.91 2voi h GLN 32 Ca -0.57 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 58.76 2voi h GLN 32 Cb 1.33 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 2voi h GLN 32 CO 0.55 0.59 0.43 0.00 -1.93 0.00 0.00 178.83 178.47 2voi h ALA 33 N 1.20 1.10 -0.52 3.38 0.00 -1.93 -0.86 119.26 121.63 2voi h ALA 33 Ca 0.23 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2voi h ALA 33 Cb -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 2voi h ALA 33 CO -0.04 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.07 2voi h ARG 35 N 0.42 0.72 -0.35 0.00 3.08 -0.89 -0.68 114.38 116.69 2voi h ARG 35 Ca 0.25 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2voi h ARG 35 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2voi h ARG 35 CO -0.22 0.95 0.14 0.28 -1.07 0.00 0.00 179.97 180.05 2voi h VAL 36 N 0.48 1.18 -0.28 2.04 2.07 -1.12 -2.05 116.25 118.57 2voi h VAL 36 Ca 0.06 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2voi h VAL 36 Cb 0.77 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2voi h VAL 36 CO 0.06 0.20 0.17 0.25 0.02 0.00 0.00 177.57 178.27 2voi h LEU 37 N 0.42 0.29 -0.46 2.57 5.85 -0.89 -0.31 115.31 122.78 2voi h LEU 37 Ca 0.12 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2voi h LEU 37 Cb 0.18 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2voi h LEU 37 CO -0.01 0.21 0.20 1.56 -0.34 0.00 0.00 178.44 180.06 2voi h GLN 38 N 0.36 0.38 0.59 1.25 4.20 -1.05 0.17 115.11 121.01 2voi h GLN 38 Ca 0.11 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2voi h GLN 38 Cb -0.02 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2voi h GLN 38 CO -0.04 0.25 -0.35 -0.09 -0.67 0.00 0.00 178.83 177.94 2voi h ARG 39 N 0.40 -0.84 -0.39 1.46 2.43 -0.97 -2.20 114.38 114.26 2voi h ARG 39 Ca 0.21 0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2voi h ARG 39 Cb 0.16 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2voi h ARG 39 CO -0.18 -0.56 0.03 -0.39 -1.51 0.00 0.00 179.97 177.35 2voi h VAL 40 N -0.88 1.25 -0.31 0.20 -1.51 -0.99 -2.41 116.25 111.61 2voi h VAL 40 Ca -0.08 -0.95 -0.05 0.00 -1.23 0.00 0.00 66.70 64.39 2voi h VAL 40 Cb 0.70 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 2voi h VAL 40 CO 0.09 0.32 -0.03 0.00 -1.23 0.00 0.00 177.57 176.73 2voi h ALA 41 N 0.90 1.39 -0.26 5.19 0.00 -0.78 -2.83 119.26 122.87 2voi h ALA 41 Ca 0.12 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2voi h ALA 41 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2voi h ALA 41 CO 0.02 0.43 -0.60 0.35 0.00 0.00 0.00 179.25 179.44 2voi h PHE 42 N 0.46 1.10 -0.94 0.00 3.57 -1.20 -1.30 116.94 118.63 2voi h PHE 42 Ca 0.10 -0.41 0.13 0.00 3.53 0.00 0.00 57.97 61.32 2voi h PHE 42 Cb 0.34 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.80 2voi h PHE 42 CO 0.01 1.25 0.56 0.66 -2.23 0.00 0.00 178.31 178.56 2voi h SER 43 N 0.64 0.78 -0.12 0.41 4.64 -1.32 0.59 113.55 119.17 2voi h SER 43 Ca -0.00 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 2voi h SER 43 Cb 1.22 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2voi h SER 43 CO 0.13 0.39 -0.09 0.58 -0.87 0.00 0.00 176.83 176.97 2voi h VAL 44 N 0.85 1.34 -0.47 0.95 2.07 -1.31 -0.56 116.25 119.11 2voi h VAL 44 Ca 0.49 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.91 2voi h VAL 44 Cb 0.56 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 2voi h VAL 44 CO -0.30 0.34 -0.04 -0.61 0.02 0.00 0.00 177.57 176.98 2voi h GLN 45 N -0.10 0.07 0.12 1.57 4.15 -0.87 0.60 115.11 120.65 2voi h GLN 45 Ca 0.02 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2voi h GLN 45 Cb 0.58 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 2voi h GLN 45 CO 0.02 0.05 -0.15 0.87 -1.93 0.00 0.00 178.83 177.69 2voi h LYS 46 N 0.07 -0.31 -0.69 1.69 1.57 -0.86 -0.61 116.57 117.44 2voi h LYS 46 Ca 0.24 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2voi h LYS 46 Cb 0.36 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2voi h LYS 46 CO -0.43 -0.20 0.42 1.49 -0.57 0.00 0.00 179.45 180.16 2voi h GLU 47 N -0.32 0.79 0.41 3.15 4.22 -0.54 -1.54 114.58 120.76 2voi h GLU 47 Ca 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 2voi h GLU 47 Cb 0.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2voi h GLU 47 CO -0.07 0.53 -0.20 0.28 -2.18 0.00 0.00 179.01 177.37 2voi h VAL 48 N 0.82 0.58 0.00 0.32 2.07 -0.78 0.79 116.25 120.05 2voi h VAL 48 Ca 0.28 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2voi h VAL 48 Cb 0.05 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2voi h VAL 48 CO -0.12 0.05 -0.11 -0.33 0.02 0.00 0.00 177.57 177.08 2voi h GLU 49 N -0.71 0.00 0.22 1.57 5.08 -0.96 0.50 114.58 120.29 2voi h GLU 49 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2voi h GLU 49 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2voi h GLU 49 CO 0.09 0.11 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.89 2voi h LYS 50 N 0.00 -0.29 0.00 2.33 3.64 -1.22 -3.29 116.57 117.74 2voi h LYS 50 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2voi h LYS 50 Cb 0.20 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2voi h LYS 50 CO 0.01 -0.03 -0.50 0.09 -2.27 0.00 0.00 179.45 176.75 2voi n ASN 51 N -4.97 0.50 -0.80 4.20 3.02 0.26 -3.55 115.26 113.93 2voi n ASN 51 Ca -0.06 -0.22 0.05 0.00 -0.03 0.00 0.00 54.58 54.32 2voi n ASN 51 Cb 0.19 0.24 0.22 0.00 -0.61 0.00 0.00 39.78 39.82 2voi n ASN 51 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2voi n LEU 52 N -1.53 3.60 -0.16 3.41 4.77 0.17 -4.82 117.00 122.44 2voi n LEU 52 Ca 0.05 -3.32 -0.02 0.00 -0.03 0.00 0.00 56.01 52.69 2voi n LEU 52 Cb 0.34 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2voi n LEU 52 CO 0.35 0.90 0.95 0.50 -1.33 0.00 0.00 177.39 178.76 2voi h LYS 53 N 1.16 0.31 -0.92 3.23 3.64 -1.63 -0.37 116.57 121.98 2voi h LYS 53 Ca 0.07 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2voi h LYS 53 Cb 1.40 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.10 2voi h LYS 53 CO 0.22 0.20 0.61 0.66 -2.27 0.00 0.00 179.45 178.87 2voi h SER 54 N 0.32 1.03 -0.30 4.20 4.64 -1.89 -0.86 113.55 120.69 2voi h SER 54 Ca 0.25 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 2voi h SER 54 Cb 0.30 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2voi h SER 54 CO -0.28 0.73 -0.21 1.88 -0.87 0.00 0.00 176.83 178.08 2voi h TYR 55 N 1.21 0.79 -0.20 4.77 0.05 -1.67 -3.17 116.97 118.75 2voi h TYR 55 Ca 0.35 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 2voi h TYR 55 Cb -0.07 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 2voi h TYR 55 CO -0.01 0.93 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.75 2voi h LEU 56 N 0.43 0.35 -0.96 3.88 3.38 -0.78 -2.85 115.31 118.75 2voi h LEU 56 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2voi h LEU 56 Cb 0.76 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2voi h LEU 56 CO 0.06 0.57 0.00 0.44 0.09 0.00 0.00 178.44 179.60 2voi h ASP 57 N 0.32 0.00 -0.36 -0.43 3.32 -1.13 -3.20 116.42 114.93 2voi h ASP 57 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2voi h ASP 57 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2voi h ASP 57 CO 0.04 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.03 2voi n ASP 58 N -2.49 3.13 -3.70 6.45 8.00 -1.08 -4.86 116.55 122.00 2voi n ASP 58 Ca 0.02 -2.32 -0.10 0.00 0.71 0.00 0.00 54.79 53.09 2voi n ASP 58 Cb 0.25 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 2voi n ASP 58 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2voi s PHE 59 N -1.78 -0.13 0.07 1.24 -0.71 -1.21 -5.13 117.98 110.32 2voi s PHE 59 Ca 0.30 -0.19 0.09 0.00 -1.04 0.00 0.00 56.93 56.08 2voi s PHE 59 Cb 0.20 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2voi s PHE 59 CO 0.13 -0.81 -0.24 -1.01 -1.34 0.00 0.00 175.22 171.95 2voi s HIS 60 N -3.85 2.10 -0.67 3.49 3.76 -1.26 -5.01 115.29 113.85 2voi s HIS 60 Ca 0.07 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2voi s HIS 60 Cb 0.00 -1.22 0.17 0.00 1.11 0.00 0.00 32.58 32.65 2voi s HIS 60 CO -0.07 0.17 0.49 0.08 -0.85 0.00 0.00 174.74 174.56 2voi s VAL 61 N -0.90 3.66 -0.91 -0.90 1.01 -1.26 -4.94 120.40 116.16 2voi s VAL 61 Ca 0.10 -3.28 0.27 0.00 0.00 0.00 0.00 61.98 59.08 2voi s VAL 61 Cb -0.10 -3.37 0.19 0.00 0.00 0.00 0.00 36.38 33.10 2voi s VAL 61 CO 0.03 -0.92 1.75 -0.62 0.00 0.00 0.00 175.10 175.34 2voi n GLU 62 N 3.11 0.08 -3.77 2.72 4.71 -1.26 -4.45 120.64 121.78 2voi n GLU 62 Ca 0.11 0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 57.20 2voi n GLU 62 Cb 0.37 -1.58 -0.08 0.00 -1.01 0.00 0.00 31.44 29.14 2voi n GLU 62 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2voi s SER 63 N -3.43 -0.11 0.22 1.62 0.15 -1.26 -5.02 113.70 105.86 2voi s SER 63 Ca 0.12 -0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.51 2voi s SER 63 Cb 0.17 0.34 0.17 0.00 -1.71 0.00 0.00 66.02 64.99 2voi s SER 63 CO 0.59 -0.59 1.77 0.40 1.20 0.00 0.00 173.24 176.61 2voi h ILE 64 N 3.32 1.26 -0.61 6.45 2.04 -1.98 -0.85 117.51 127.13 2voi h ILE 64 Ca -0.32 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 64.80 2voi h ILE 64 Cb 1.20 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.55 2voi h ILE 64 CO 0.46 0.35 -0.07 -0.78 0.00 0.00 0.00 178.15 178.10 2voi h ASP 65 N 1.12 -0.42 0.28 1.72 1.82 -1.99 -0.26 116.42 118.69 2voi h ASP 65 Ca 0.25 0.17 -0.23 0.00 -0.39 0.00 0.00 57.03 56.83 2voi h ASP 65 Cb 0.27 0.32 0.01 0.00 0.68 0.00 0.00 39.33 40.60 2voi h ASP 65 CO -0.01 -0.16 -0.95 0.74 -1.61 0.00 0.00 179.24 177.25 2voi h THR 66 N 0.06 1.38 -0.12 2.25 2.02 -1.90 -2.57 112.91 114.02 2voi h THR 66 Ca 0.31 -2.40 0.02 0.00 0.77 0.00 0.00 66.41 65.11 2voi h THR 66 Cb 0.49 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2voi h THR 66 CO -0.58 0.72 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 2voi h ALA 67 N 0.69 0.10 -0.91 6.16 0.00 -0.76 -0.40 119.26 124.13 2voi h ALA 67 Ca -0.09 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.98 2voi h ALA 67 Cb 1.59 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 2voi h ALA 67 CO 0.17 -0.46 0.58 -0.09 0.00 0.00 0.00 179.25 179.45 2voi h ARG 68 N 0.03 0.79 -0.01 0.00 2.43 -1.01 -0.12 114.38 116.50 2voi h ARG 68 Ca 0.05 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2voi h ARG 68 Cb 0.07 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2voi h ARG 68 CO -0.10 0.53 -0.01 0.82 -1.51 0.00 0.00 179.97 179.70 2voi h ILE 69 N 0.82 1.37 -0.44 1.20 2.04 -0.97 -1.95 117.51 119.57 2voi h ILE 69 Ca 0.44 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 2voi h ILE 69 Cb 0.56 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2voi h ILE 69 CO -0.21 0.29 -0.08 0.40 0.00 0.00 0.00 178.15 178.55 2voi h ILE 70 N -0.43 1.25 -0.09 -0.67 2.04 -0.89 -2.02 117.51 116.70 2voi h ILE 70 Ca 0.00 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2voi h ILE 70 Cb 0.48 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2voi h ILE 70 CO 0.00 0.39 0.03 0.15 0.00 0.00 0.00 178.15 178.72 2voi h PHE 71 N 0.71 0.14 -0.31 1.37 3.57 -1.05 -0.91 116.94 120.47 2voi h PHE 71 Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2voi h PHE 71 Cb 0.55 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2voi h PHE 71 CO 0.03 0.28 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.29 2voi h ASN 72 N -0.03 0.55 0.35 0.41 -0.26 -1.18 0.00 115.58 115.43 2voi h ASN 72 Ca 0.03 -0.17 -0.29 0.00 -0.56 0.00 0.00 56.30 55.31 2voi h ASN 72 Cb 0.20 -0.15 0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2voi h ASN 72 CO -0.00 0.75 -1.24 0.06 -1.06 0.00 0.00 177.43 175.94 2voi h GLN 73 N 0.50 0.46 -0.43 0.81 3.07 -1.33 -0.20 115.11 118.00 2voi h GLN 73 Ca 0.08 -0.66 -0.01 0.00 0.09 0.00 0.00 58.65 58.15 2voi h GLN 73 Cb 0.61 0.23 -0.02 0.00 0.08 0.00 0.00 27.48 28.37 2voi h GLN 73 CO 0.04 1.29 0.21 0.28 0.09 0.00 0.00 178.83 180.75 2voi h VAL 74 N 0.18 1.17 -0.55 1.86 2.07 -1.02 -2.37 116.25 117.60 2voi h VAL 74 Ca -0.16 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 2voi h VAL 74 Cb 1.92 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2voi h VAL 74 CO 0.22 0.19 -0.05 0.24 0.02 0.00 0.00 177.57 178.18 2voi h MET 75 N 0.55 0.99 -0.39 1.57 2.86 -1.01 -0.68 114.93 118.81 2voi h MET 75 Ca 0.15 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2voi h MET 75 Cb 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2voi h MET 75 CO -0.02 1.00 0.20 1.49 1.06 0.00 0.00 176.91 180.64 2voi h GLU 76 N 0.90 0.56 -0.27 1.72 4.81 -0.94 -2.35 114.58 119.00 2voi h GLU 76 Ca 0.15 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2voi h GLU 76 Cb 0.59 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2voi h GLU 76 CO 0.04 0.48 -0.24 0.87 -0.73 0.00 0.00 179.01 179.42 2voi h LYS 77 N 0.50 0.52 -0.81 1.92 1.57 -1.34 -2.60 116.57 116.32 2voi h LYS 77 Ca 0.14 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2voi h LYS 77 Cb 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2voi h LYS 77 CO -0.02 0.72 0.38 1.49 -0.57 0.00 0.00 179.45 181.45 2voi h GLU 78 N 0.46 1.18 -0.52 3.15 4.81 -0.84 -3.18 114.58 119.63 2voi h GLU 78 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2voi h GLU 78 Cb 0.67 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2voi h GLU 78 CO 0.05 0.91 0.00 1.19 -0.73 0.00 0.00 179.01 180.43 2voi n PHE 79 N -4.33 1.78 -0.26 0.92 3.01 -0.91 -4.59 117.46 113.08 2voi n PHE 79 Ca 0.08 -0.74 0.01 0.00 1.01 0.00 0.00 57.45 57.80 2voi n PHE 79 Cb 0.14 -0.44 0.13 0.00 -0.01 0.00 0.00 39.48 39.31 2voi n PHE 79 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2voi h GLU 80 N 3.58 0.70 0.00 -1.08 5.08 -1.44 -1.89 114.58 119.53 2voi h GLU 80 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2voi h GLU 80 Cb 1.80 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2voi h GLU 80 CO 0.40 0.46 0.00 -0.40 -1.00 0.00 0.00 179.01 178.48 2voi n ASP 81 N -4.78 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 112.73 2voi n ASP 81 Ca 0.11 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2voi n ASP 81 Cb 0.23 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 2voi n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2voi n GLY 82 N -0.13 0.57 3.68 6.12 0.00 -0.71 -5.02 105.19 109.70 2voi n GLY 82 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2voi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2voi s ILE 83 N -2.23 5.04 -0.07 -0.61 1.01 -1.26 -5.05 121.20 118.02 2voi s ILE 83 Ca 0.00 1.24 0.05 0.00 0.00 0.00 0.00 60.65 61.94 2voi s ILE 83 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2voi s ILE 83 CO 0.00 0.17 -0.23 -0.63 0.00 0.00 0.00 174.94 174.25 2voi s ILE 84 N 1.51 1.90 0.27 2.92 1.01 -1.26 -4.89 121.20 122.65 2voi s ILE 84 Ca 0.31 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 2voi s ILE 84 Cb -0.16 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2voi s ILE 84 CO 0.12 0.53 0.47 0.54 0.00 0.00 0.00 174.94 176.60 2voi s ASN 85 N 0.15 0.13 0.29 3.58 2.20 -1.26 -5.06 114.94 114.96 2voi s ASN 85 Ca -0.11 -1.08 -0.02 0.00 -0.94 0.00 0.00 52.86 50.70 2voi s ASN 85 Cb -0.15 0.60 0.41 0.00 -2.00 0.00 0.00 41.25 40.10 2voi s ASN 85 CO 0.06 -1.18 1.91 -0.50 -2.94 0.00 0.00 177.10 174.45 2voi h TRP 86 N 2.24 1.00 -0.14 1.54 -0.00 -2.00 -2.09 115.95 116.50 2voi h TRP 86 Ca -0.27 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.59 2voi h TRP 86 Cb 1.25 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 30.08 2voi h TRP 86 CO 0.65 0.69 0.07 0.78 -0.00 0.00 0.00 178.44 180.63 2voi h GLY 87 N 1.06 0.21 0.98 1.49 0.00 -2.00 -1.91 103.07 102.90 2voi h GLY 87 Ca 0.26 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.54 2voi h GLY 87 CO -0.04 0.09 0.56 3.21 0.00 0.00 0.00 176.54 180.36 2voi h ARG 88 N 0.10 0.97 -0.46 4.80 3.08 -1.93 -2.70 114.38 118.25 2voi h ARG 88 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2voi h ARG 88 Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2voi h ARG 88 CO -0.01 0.64 0.22 0.82 -1.07 0.00 0.00 179.97 180.57 2voi h ILE 89 N 1.00 1.19 -0.98 2.04 2.04 -1.04 -1.95 117.51 119.82 2voi h ILE 89 Ca 0.35 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.82 2voi h ILE 89 Cb 0.12 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 2voi h ILE 89 CO -0.12 0.21 0.61 0.58 0.00 0.00 0.00 178.15 179.44 2voi h VAL 90 N 0.60 0.83 0.00 1.67 2.07 -1.06 -2.07 116.25 118.30 2voi h VAL 90 Ca 0.16 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2voi h VAL 90 Cb 0.13 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2voi h VAL 90 CO -0.02 0.15 -0.22 0.71 0.02 0.00 0.00 177.57 178.22 2voi h THR 91 N 0.84 0.94 0.20 2.57 1.35 -1.05 -2.23 112.91 115.52 2voi h THR 91 Ca 0.51 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 2voi h THR 91 Cb 0.69 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2voi h THR 91 CO -0.28 0.21 -0.10 0.40 -0.25 0.00 0.00 175.52 175.50 2voi h ILE 92 N 0.00 0.85 -0.45 6.82 2.04 -1.08 -0.67 117.51 125.02 2voi h ILE 92 Ca -0.00 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2voi h ILE 92 Cb 0.45 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 2voi h ILE 92 CO 0.03 0.07 0.13 -0.26 0.00 0.00 0.00 178.15 178.12 2voi h PHE 93 N -0.41 0.23 -0.35 1.37 -1.00 -1.53 -2.32 116.94 112.94 2voi h PHE 93 Ca -0.03 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.79 2voi h PHE 93 Cb 0.32 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2voi h PHE 93 CO -0.02 0.06 0.20 0.00 -1.61 0.00 0.00 178.31 176.94 2voi h ALA 94 N 1.32 0.43 -0.28 2.45 0.00 -1.25 -1.18 119.26 120.76 2voi h ALA 94 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2voi h ALA 94 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2voi h ALA 94 CO -0.25 -0.15 -0.26 0.35 0.00 0.00 0.00 179.25 178.94 2voi h PHE 95 N 0.41 0.62 -0.45 0.00 3.57 -1.01 0.57 116.94 120.64 2voi h PHE 95 Ca 0.14 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2voi h PHE 95 Cb 0.00 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 2voi h PHE 95 CO -0.07 0.76 0.01 0.78 -2.23 0.00 0.00 178.31 177.56 2voi h GLY 96 N 1.02 0.47 0.77 2.40 0.00 -1.12 -1.54 103.07 105.07 2voi h GLY 96 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2voi h GLY 96 CO 0.05 -0.11 0.26 -1.33 0.00 0.00 0.00 176.54 175.42 2voi h GLY 97 N 0.13 0.70 0.68 4.60 0.00 -0.53 -1.55 103.07 107.09 2voi h GLY 97 Ca 0.23 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2voi h GLY 97 CO -0.36 0.13 0.33 -2.08 0.00 0.00 0.00 176.54 174.55 2voi h VAL 98 N 0.51 0.95 -0.33 4.60 2.07 -0.40 -1.97 116.25 121.68 2voi h VAL 98 Ca 0.21 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 2voi h VAL 98 Cb 0.10 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2voi h VAL 98 CO -0.14 0.11 -0.45 -0.07 0.02 0.00 0.00 177.57 177.04 2voi h LEU 99 N 0.61 0.97 -0.97 2.57 3.38 -1.10 -1.22 115.31 119.54 2voi h LEU 99 Ca 0.27 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2voi h LEU 99 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2voi h LEU 99 CO -0.18 1.27 0.64 0.25 0.09 0.00 0.00 178.44 180.52 2voi h LEU 100 N 0.69 1.10 -0.73 1.67 6.46 -1.05 0.41 115.31 123.86 2voi h LEU 100 Ca 0.04 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.64 2voi h LEU 100 Cb 1.05 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2voi h LEU 100 CO 0.11 0.79 -0.53 0.50 -0.62 0.00 0.00 178.44 178.68 2voi h LYS 101 N 1.30 0.27 -0.43 1.25 3.64 -1.32 -1.46 116.57 119.82 2voi h LYS 101 Ca 0.37 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2voi h LYS 101 Cb -0.11 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2voi h LYS 101 CO -0.09 0.74 0.07 -0.22 -2.27 0.00 0.00 179.45 177.68 2voi h LYS 102 N 0.21 0.72 -0.26 1.90 1.63 -0.27 -2.45 116.57 118.06 2voi h LYS 102 Ca 0.00 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2voi h LYS 102 Cb 1.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 2voi h LYS 102 CO 0.08 0.75 0.14 1.25 -3.45 0.00 0.00 179.45 178.23 2voi h LEU 103 N 0.58 0.32 -0.84 5.20 6.46 0.05 -2.76 115.31 124.31 2voi h LEU 103 Ca 0.13 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.70 2voi h LEU 103 Cb 0.39 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2voi h LEU 103 CO 0.01 0.32 -0.27 0.11 -0.62 0.00 0.00 178.44 177.99 2voi h LYS 104 N 0.30 0.55 0.00 1.25 1.57 -1.30 -1.75 116.57 117.19 2voi h LYS 104 Ca 0.09 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2voi h LYS 104 Cb 0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2voi h LYS 104 CO -0.01 0.77 -0.06 -0.56 -0.57 0.00 0.00 179.45 179.02 2voi h GLN 105 N 0.48 0.00 -0.01 3.15 3.07 -1.32 -2.68 115.11 117.81 2voi h GLN 105 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2voi h GLN 105 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 2voi h GLN 105 CO 0.06 0.06 -0.72 0.39 0.09 0.00 0.00 178.83 178.70 2voi n GLU 106 N -3.19 0.50 -4.07 0.06 1.02 -1.04 -4.93 120.64 108.99 2voi n GLU 106 Ca 0.00 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 56.43 2voi n GLU 106 Cb 0.32 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 2voi n GLU 106 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2voi s GLN 107 N -2.78 2.94 0.02 3.49 2.00 -0.68 -5.02 119.66 119.63 2voi s GLN 107 Ca 0.13 -0.62 -0.23 0.00 -2.00 0.00 0.00 55.36 52.64 2voi s GLN 107 Cb 0.17 -2.77 -0.17 0.00 0.80 0.00 0.00 33.01 31.05 2voi s GLN 107 CO 0.73 0.59 1.34 -0.84 -0.50 0.00 0.00 175.29 176.61 2voi h ILE 108 N 2.78 1.34 -2.26 -2.34 3.07 -1.91 -3.44 117.51 114.75 2voi h ILE 108 Ca -0.47 -1.14 -0.17 0.00 1.55 0.00 0.00 64.86 64.63 2voi h ILE 108 Cb 1.17 1.92 -0.30 0.00 -0.27 0.00 0.00 36.82 39.34 2voi h ILE 108 CO 0.65 0.32 -0.48 0.00 -1.05 0.00 0.00 178.15 177.59 2voi s ALA 109 N -4.42 -0.94 0.48 0.16 0.00 -1.26 -5.08 121.76 110.70 2voi s ALA 109 Ca -0.15 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 2voi s ALA 109 Cb 0.04 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 2voi s ALA 109 CO 0.71 -1.04 0.95 -0.48 0.00 0.00 0.00 175.76 175.91 2voi s LEU 110 N 2.52 3.73 0.20 0.00 2.34 -1.26 -5.09 118.68 121.12 2voi s LEU 110 Ca 0.07 1.56 0.04 0.00 0.06 0.00 0.00 54.13 55.86 2voi s LEU 110 Cb -0.14 -4.47 -0.03 0.00 -0.56 0.00 0.00 46.19 40.99 2voi s LEU 110 CO -0.14 -0.50 0.29 1.51 -1.06 0.00 0.00 176.35 176.45 2voi s ASP 111 N -2.82 6.17 -0.73 1.48 1.47 -1.26 -4.97 116.67 116.00 2voi s ASP 111 Ca 0.59 0.06 -0.26 0.00 1.18 0.00 0.00 52.55 54.12 2voi s ASP 111 Cb -0.10 -1.79 -0.05 0.00 -0.34 0.00 0.00 42.92 40.64 2voi s ASP 111 CO 0.26 -0.01 2.04 0.54 0.68 0.00 0.00 175.17 178.69 2voi s VAL 112 N -1.88 3.29 0.00 2.11 0.11 -1.26 0.26 120.40 123.03 2voi s VAL 112 Ca 0.34 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2voi s VAL 112 Cb -0.10 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2voi s VAL 112 CO 0.28 -0.68 0.00 -0.24 -3.33 0.00 0.00 175.10 171.13 2voi n SER 113 N 14.49 0.00 0.05 3.54 2.88 -1.26 -4.89 113.62 128.43 2voi n SER 113 Ca 0.34 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.77 2voi n SER 113 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 2voi n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2voi h ALA 114 N 0.00 -0.14 0.00 -1.46 0.00 -0.58 0.24 119.26 117.32 2voi h ALA 114 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2voi h ALA 114 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2voi h ALA 114 CO 0.00 -0.62 -0.31 0.10 0.00 0.00 0.00 179.25 178.42 2voi h TYR 115 N -0.22 0.00 -0.21 0.00 -0.00 -1.92 -0.91 116.97 113.70 2voi h TYR 115 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.74 2voi h TYR 115 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.01 2voi h TYR 115 CO -0.20 0.31 -0.05 -0.22 -0.00 0.00 0.00 178.16 178.01 2voi h LYS 116 N 0.00 0.41 -0.07 0.10 3.64 -1.83 -1.56 116.57 117.26 2voi h LYS 116 Ca -0.00 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 2voi h LYS 116 Cb 0.83 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2voi h LYS 116 CO 0.04 0.65 -0.57 1.96 -2.27 0.00 0.00 179.45 179.26 2voi h GLN 117 N 0.14 0.23 -0.32 1.90 4.20 -0.06 -1.63 115.11 119.57 2voi h GLN 117 Ca 0.05 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.45 2voi h GLN 117 Cb 0.50 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2voi h GLN 117 CO 0.02 0.74 -0.45 0.28 -0.67 0.00 0.00 178.83 178.75 2voi h VAL 118 N 0.17 1.28 -0.55 -0.54 2.07 -1.25 -2.67 116.25 114.76 2voi h VAL 118 Ca -0.00 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 2voi h VAL 118 Cb 1.05 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2voi h VAL 118 CO 0.09 0.53 0.19 0.77 0.02 0.00 0.00 177.57 179.17 2voi h SER 119 N 0.66 0.74 0.20 0.57 4.64 -1.00 0.06 113.55 119.44 2voi h SER 119 Ca 0.04 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2voi h SER 119 Cb 1.05 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2voi h SER 119 CO 0.10 0.69 -0.10 -1.28 -0.87 0.00 0.00 176.83 175.38 2voi h SER 120 N 0.79 -0.23 0.35 4.97 0.87 -1.25 0.78 113.55 119.83 2voi h SER 120 Ca 0.18 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2voi h SER 120 Cb 0.21 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2voi h SER 120 CO -0.01 -0.05 -0.44 2.19 -0.53 0.00 0.00 176.83 177.99 2voi h PHE 121 N -0.40 0.13 0.20 2.24 -0.00 -1.28 -0.06 116.94 117.76 2voi h PHE 121 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 57.90 2voi h PHE 121 Cb 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.23 2voi h PHE 121 CO -0.03 0.53 -0.09 0.28 -0.00 0.00 0.00 178.31 179.00 2voi h VAL 122 N 0.09 0.86 -0.53 0.88 2.07 -0.91 -2.63 116.25 116.08 2voi h VAL 122 Ca 0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2voi h VAL 122 Cb 0.81 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2voi h VAL 122 CO 0.06 0.06 0.30 0.00 0.02 0.00 0.00 177.57 178.01 2voi h ALA 123 N 0.39 0.68 -0.48 1.67 0.00 -0.48 -1.84 119.26 119.20 2voi h ALA 123 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2voi h ALA 123 Cb 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2voi h ALA 123 CO 0.04 -0.02 0.18 0.93 0.00 0.00 0.00 179.25 180.39 2voi h GLU 124 N 0.58 0.36 0.15 0.00 5.08 -1.02 0.53 114.58 120.27 2voi h GLU 124 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2voi h GLU 124 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2voi h GLU 124 CO -0.13 0.24 -0.07 0.35 -1.00 0.00 0.00 179.01 178.40 2voi h PHE 125 N 0.37 -0.19 -0.33 4.33 3.04 -1.02 0.15 116.94 123.29 2voi h PHE 125 Ca 0.23 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.23 2voi h PHE 125 Cb 0.22 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 2voi h PHE 125 CO -0.15 -0.02 -0.01 0.82 -2.02 0.00 0.00 178.31 176.93 2voi h ILE 126 N -0.33 0.74 0.42 1.41 2.04 -1.27 0.32 117.51 120.83 2voi h ILE 126 Ca -0.02 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2voi h ILE 126 Cb 0.26 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2voi h ILE 126 CO 0.03 0.01 -0.20 -0.03 0.00 0.00 0.00 178.15 177.97 2voi h MET 127 N 0.08 -0.54 -0.03 2.37 4.05 -0.71 0.32 114.93 120.46 2voi h MET 127 Ca 0.16 0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.54 2voi h MET 127 Cb 0.22 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2voi h MET 127 CO -0.28 -0.31 -0.34 -0.91 0.23 0.00 0.00 176.91 175.30 2voi h ASN 128 N -0.65 0.06 0.20 1.39 -0.26 -0.58 -1.25 115.58 114.49 2voi h ASN 128 Ca -0.06 -0.02 -0.34 0.00 -0.56 0.00 0.00 56.30 55.32 2voi h ASN 128 Cb 0.48 -0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.66 2voi h ASN 128 CO 0.09 0.40 -2.11 0.59 -1.06 0.00 0.00 177.43 175.35 2voi n ASN 129 N -4.12 0.38 0.00 5.81 3.02 0.09 -4.75 115.26 115.70 2voi n ASN 129 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2voi n ASN 129 Cb 0.39 0.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 2voi n ASN 129 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2voi n THR 130 N -2.88 0.00 -0.31 3.41 -2.24 0.11 -4.86 114.28 107.51 2voi n THR 130 Ca -0.26 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 2voi n THR 130 Cb 1.11 1.40 0.11 0.00 -2.10 0.00 0.00 70.33 70.85 2voi n THR 130 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2voi h GLY 131 N 0.00 1.24 0.89 3.38 0.00 -0.73 0.15 103.07 108.00 2voi h GLY 131 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 2voi h GLY 131 CO 0.00 0.36 -0.23 -2.09 0.00 0.00 0.00 176.54 174.58 2voi h GLU 132 N 1.07 0.58 -0.57 4.80 4.57 -1.90 -2.23 114.58 120.90 2voi h GLU 132 Ca 0.34 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 2voi h GLU 132 Cb 0.00 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2voi h GLU 132 CO -0.11 0.90 0.22 2.35 -1.18 0.00 0.00 179.01 181.19 2voi h TRP 133 N 0.29 0.39 -0.79 0.92 7.01 -1.75 -1.29 115.95 120.73 2voi h TRP 133 Ca 0.04 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.09 2voi h TRP 133 Cb 0.79 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 2voi h TRP 133 CO 0.08 0.12 0.52 0.82 -2.79 0.00 0.00 178.44 177.18 2voi h ILE 134 N 0.41 1.16 -0.55 2.65 2.04 -0.59 -1.56 117.51 121.06 2voi h ILE 134 Ca 0.28 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2voi h ILE 134 Cb 0.32 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2voi h ILE 134 CO -0.27 0.19 0.32 -0.09 0.00 0.00 0.00 178.15 178.29 2voi h ARG 135 N 1.03 0.76 0.00 2.37 2.43 -0.74 -0.26 114.38 119.96 2voi h ARG 135 Ca 0.31 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2voi h ARG 135 Cb -0.05 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2voi h ARG 135 CO -0.09 0.57 0.00 1.96 -1.51 0.00 0.00 179.97 180.90 2voi h GLN 136 N 0.75 0.00 -0.47 0.20 4.20 -0.87 -3.30 115.11 115.62 2voi h GLN 136 Ca 0.20 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 2voi h GLN 136 Cb 0.01 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.62 2voi h GLN 136 CO -0.03 0.00 -0.13 0.09 -0.67 0.00 0.00 178.83 178.09 2voi n ASN 137 N -2.73 3.30 0.00 1.46 3.02 -0.62 -4.93 115.26 114.77 2voi n ASN 137 Ca 0.01 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 2voi n ASN 137 Cb 0.29 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2voi n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2voi n GLY 138 N -1.04 0.77 7.00 7.41 0.00 -1.19 -3.92 105.19 114.22 2voi n GLY 138 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2voi n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2voi n GLY 139 N -2.24 0.53 0.08 -0.02 0.00 -0.17 -1.68 105.19 101.70 2voi n GLY 139 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 2voi n GLY 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2voi h TRP 140 N 0.00 0.00 0.07 1.61 4.06 -1.93 -2.22 115.95 117.54 2voi h TRP 140 Ca 0.00 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.67 2voi h TRP 140 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2voi h TRP 140 CO 0.00 0.86 -1.46 0.93 -3.56 0.00 0.00 178.44 175.20 2voi h GLU 141 N 0.00 0.15 0.00 0.49 3.07 -1.98 -3.10 114.58 113.22 2voi h GLU 141 Ca -0.02 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2voi h GLU 141 Cb 1.67 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 2voi h GLU 141 CO 0.11 0.98 0.00 -0.25 -1.40 0.00 0.00 179.01 178.45 2voi n ASP 142 N -3.36 0.00 0.00 1.42 9.92 -1.18 -4.43 116.55 118.92 2voi n ASP 142 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 2voi n ASP 142 Cb 1.02 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 2voi n ASP 142 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2voi n GLY 143 N 1.82 -3.04 0.16 0.44 0.00 -0.68 -1.12 105.19 102.78 2voi n GLY 143 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 2voi n GLY 143 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2voi h PHE 144 N 0.00 -0.30 -0.52 1.61 3.04 -1.51 -1.43 116.94 117.83 2voi h PHE 144 Ca 0.00 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 2voi h PHE 144 Cb 0.00 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2voi h PHE 144 CO -0.41 -0.18 0.12 0.82 -2.02 0.00 0.00 178.31 176.63 2voi h ILE 145 N -0.30 1.24 -0.16 1.41 2.04 -1.53 -2.15 117.51 118.06 2voi h ILE 145 Ca -0.02 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 2voi h ILE 145 Cb 0.25 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2voi h ILE 145 CO 0.02 0.32 -0.39 0.11 0.00 0.00 0.00 178.15 178.20 2voi h LYS 146 N 0.73 0.37 -0.48 2.37 6.56 -1.08 0.00 116.57 125.04 2voi h LYS 146 Ca 0.16 -0.17 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2voi h LYS 146 Cb 0.34 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 2voi h LYS 146 CO 0.00 0.71 0.30 -0.22 -2.06 0.00 0.00 179.45 178.18 2voi h LYS 147 N 0.31 0.64 -0.32 3.15 1.63 -1.06 -3.28 116.57 117.63 2voi h LYS 147 Ca 0.03 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 2voi h LYS 147 Cb 0.83 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.27 2voi h LYS 147 CO 0.07 0.46 0.00 1.19 -3.45 0.00 0.00 179.45 177.72 2voi n PHE 148 N -4.72 1.08 -0.30 1.91 3.72 -0.83 -5.11 117.46 113.21 2voi n PHE 148 Ca 0.02 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.25 2voi n PHE 148 Cb 0.04 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 2voi n PHE 148 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86