#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ode s VAL 2 N 0.00 2.28 -0.04 2.03 1.01 -1.26 -1.25 120.40 123.17 1ode s VAL 2 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1ode s VAL 2 Cb 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1ode s VAL 2 CO 0.00 0.56 -0.15 -0.13 0.00 0.00 0.00 175.10 175.38 1ode s ARG 3 N -0.06 1.64 0.33 2.72 1.81 0.37 -4.94 118.95 120.82 1ode s ARG 3 Ca -0.06 -0.54 -0.18 0.00 -1.72 0.00 0.00 55.73 53.23 1ode s ARG 3 Cb -0.14 -1.43 -0.09 0.00 -0.45 0.00 0.00 34.95 32.83 1ode s ARG 3 CO 0.05 0.20 0.80 0.20 -0.68 0.00 0.00 175.30 175.88 1ode s GLY 4 N 0.11 2.44 -0.10 -3.53 0.00 -1.26 -0.82 107.32 104.16 1ode s GLY 4 Ca -0.04 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1ode s GLY 4 CO 0.02 0.47 -0.17 -0.42 0.00 0.00 0.00 173.10 173.00 1ode s ILE 5 N -1.92 1.59 0.06 0.90 1.01 0.78 -4.94 121.20 118.68 1ode s ILE 5 Ca 0.54 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1ode s ILE 5 Cb -0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1ode s ILE 5 CO 0.17 0.46 0.12 -0.13 0.00 0.00 0.00 174.94 175.56 1ode s ARG 6 N 0.76 3.07 0.04 2.79 1.81 -1.26 -0.81 118.95 125.35 1ode s ARG 6 Ca -0.11 -0.59 -0.14 0.00 -1.72 0.00 0.00 55.73 53.17 1ode s ARG 6 Cb -0.16 -2.84 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 1ode s ARG 6 CO 0.02 0.59 0.31 0.20 -0.68 0.00 0.00 175.30 175.74 1ode s GLY 7 N -2.31 -0.13 -0.14 -3.53 0.00 -0.60 -1.32 107.32 99.28 1ode s GLY 7 Ca 0.30 0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 1ode s GLY 7 CO 0.22 -0.17 0.59 0.00 0.00 0.00 0.00 173.10 173.74 1ode s ALA 8 N -2.44 -1.48 -0.04 3.20 0.00 -0.11 -0.94 121.76 119.94 1ode s ALA 8 Ca -0.06 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 1ode s ALA 8 Cb -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1ode s ALA 8 CO -0.03 -0.31 0.56 -1.50 0.00 0.00 0.00 175.76 174.49 1ode s ILE 9 N -0.37 0.02 0.22 0.00 2.07 -0.63 -0.77 121.20 121.74 1ode s ILE 9 Ca -0.05 -0.15 0.09 0.00 -1.41 0.00 0.00 60.65 59.13 1ode s ILE 9 Cb -0.03 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1ode s ILE 9 CO 0.04 -0.08 -0.05 0.42 -1.91 0.00 0.00 174.94 173.36 1ode s THR 10 N -1.24 3.35 0.40 4.00 -4.23 -1.26 -0.37 115.64 116.30 1ode s THR 10 Ca -0.12 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1ode s THR 10 Cb -0.02 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ode s THR 10 CO 0.08 -0.22 0.08 0.68 -0.54 0.00 0.00 174.62 174.70 1ode s VAL 11 N -1.98 0.92 -0.11 2.29 -7.23 -0.77 -4.86 120.40 108.66 1ode s VAL 11 Ca 0.28 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.60 1ode s VAL 11 Cb -0.08 -2.48 0.32 0.00 0.56 0.00 0.00 36.38 34.71 1ode s VAL 11 CO 0.18 0.00 1.16 1.21 -0.31 0.00 0.00 175.10 177.33 1ode n GLU 12 N -0.90 0.95 -3.54 4.82 2.13 -1.26 -4.77 120.64 118.06 1ode n GLU 12 Ca -0.07 -2.50 0.03 0.00 0.66 0.00 0.00 57.16 55.28 1ode n GLU 12 Cb 0.66 -1.10 -0.06 0.00 0.27 0.00 0.00 31.44 31.22 1ode n GLU 12 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1ode s GLU 13 N -2.01 0.01 -1.26 5.31 -1.05 -1.26 -5.08 118.70 113.37 1ode s GLU 13 Ca 0.30 0.02 -0.19 0.00 -0.15 0.00 0.00 54.97 54.95 1ode s GLU 13 Cb 0.29 0.01 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1ode s GLU 13 CO -0.05 -0.00 1.86 -3.47 0.95 0.00 0.00 175.26 174.54 1ode n ASP 14 N 3.35 4.21 -4.19 0.83 2.03 -1.26 -4.55 116.55 116.97 1ode n ASP 14 Ca -0.15 -2.84 -0.18 0.00 0.52 0.00 0.00 54.79 52.14 1ode n ASP 14 Cb 0.56 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 39.14 1ode n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ode s THR 15 N 5.90 1.16 0.20 5.18 -4.23 -1.26 -4.56 115.64 118.04 1ode s THR 15 Ca 0.57 -1.47 -0.10 0.00 -1.18 0.00 0.00 61.69 59.51 1ode s THR 15 Cb 0.05 -1.24 0.13 0.00 1.34 0.00 0.00 72.50 72.77 1ode s THR 15 CO 0.08 -0.32 1.75 -0.65 -0.54 0.00 0.00 174.62 174.94 1ode h PRO 16 N 3.98 0.39 -0.39 3.99 0.11 -1.91 0.17 132.00 138.34 1ode h PRO 16 Ca -0.40 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1ode h PRO 16 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1ode h PRO 16 CO 0.45 0.26 0.16 0.93 -0.21 0.00 0.00 178.00 179.58 1ode h GLU 17 N 0.40 0.58 -0.50 1.05 3.07 -1.96 -1.13 114.58 116.08 1ode h GLU 17 Ca 0.29 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 1ode h GLU 17 Cb 0.35 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1ode h GLU 17 CO -0.29 0.55 -0.11 0.00 -1.40 0.00 0.00 179.01 177.76 1ode h ALA 18 N 1.00 0.69 -0.17 3.43 0.00 -1.75 -0.72 119.26 121.74 1ode h ALA 18 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ode h ALA 18 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ode h ALA 18 CO -0.01 0.59 0.04 0.82 0.00 0.00 0.00 179.25 180.69 1ode h ILE 19 N 0.81 1.20 -0.21 0.00 1.08 -0.90 -2.77 117.51 116.72 1ode h ILE 19 Ca 0.13 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1ode h ILE 19 Cb 0.66 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1ode h ILE 19 CO 0.05 0.19 0.09 0.45 -0.69 0.00 0.00 178.15 178.23 1ode h HIS 20 N 0.08 0.32 -0.21 1.37 3.86 -1.17 -2.32 115.15 117.07 1ode h HIS 20 Ca 0.05 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1ode h HIS 20 Cb 0.26 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 1ode h HIS 20 CO 0.01 0.35 -0.09 0.37 0.86 0.00 0.00 177.93 179.43 1ode h GLN 21 N 0.19 -0.06 -0.57 2.45 -0.00 -1.12 0.11 115.11 116.11 1ode h GLN 21 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.67 1ode h GLN 21 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.64 1ode h GLN 21 CO -0.01 -0.04 0.15 0.00 0.00 0.00 0.00 178.83 178.93 1ode h ALA 22 N 1.13 0.75 -0.18 3.38 0.00 -1.50 -2.04 119.26 120.80 1ode h ALA 22 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ode h ALA 22 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ode h ALA 22 CO -0.25 0.44 0.05 1.15 0.00 0.00 0.00 179.25 180.64 1ode h THR 23 N 0.81 1.19 -0.46 0.00 2.02 -1.06 -0.88 112.91 114.52 1ode h THR 23 Ca 0.18 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.84 1ode h THR 23 Cb 0.33 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1ode h THR 23 CO 0.00 0.18 0.15 0.03 0.37 0.00 0.00 175.52 176.25 1ode h ARG 24 N 0.11 0.30 -0.41 6.66 3.08 -0.72 0.09 114.38 123.49 1ode h ARG 24 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ode h ARG 24 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1ode h ARG 24 CO -0.00 0.20 0.27 1.49 -1.07 0.00 0.00 179.97 180.85 1ode h GLU 25 N 0.31 0.55 -0.12 0.04 4.81 -1.15 -1.57 114.58 117.44 1ode h GLU 25 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1ode h GLU 25 Cb 0.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1ode h GLU 25 CO -0.24 0.37 0.05 1.25 -0.73 0.00 0.00 179.01 179.71 1ode h LEU 26 N 0.55 0.17 -0.24 1.64 5.85 -0.60 -2.03 115.31 120.65 1ode h LEU 26 Ca 0.15 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ode h LEU 26 Cb -0.05 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1ode h LEU 26 CO -0.03 0.29 0.08 -0.07 -0.34 0.00 0.00 178.44 178.37 1ode h LEU 27 N 0.03 0.09 -1.08 2.25 3.38 -0.89 0.10 115.31 119.19 1ode h LEU 27 Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ode h LEU 27 Cb 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1ode h LEU 27 CO -0.00 0.09 0.62 -0.07 0.09 0.00 0.00 178.44 179.16 1ode h LEU 28 N 0.20 1.05 -0.39 1.67 3.38 -1.22 -1.96 115.31 118.04 1ode h LEU 28 Ca 0.11 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1ode h LEU 28 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ode h LEU 28 CO -0.11 0.75 -0.64 0.50 0.09 0.00 0.00 178.44 179.03 1ode h LYS 29 N 1.24 0.62 -0.83 1.13 1.63 -0.93 -0.70 116.57 118.72 1ode h LYS 29 Ca 0.36 -0.44 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1ode h LYS 29 Cb -0.08 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1ode h LYS 29 CO -0.09 1.06 0.41 0.52 -3.45 0.00 0.00 179.45 177.89 1ode h MET 30 N 0.45 1.19 -0.14 1.90 2.86 -0.61 0.86 114.93 121.45 1ode h MET 30 Ca -0.01 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1ode h MET 30 Cb 1.22 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1ode h MET 30 CO 0.12 0.91 -0.26 -0.07 1.06 0.00 0.00 176.91 178.67 1ode h LEU 31 N 1.18 0.48 -0.40 1.22 3.38 -1.29 -3.15 115.31 116.73 1ode h LEU 31 Ca 0.29 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ode h LEU 31 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1ode h LEU 31 CO -0.04 0.94 0.23 -0.08 0.09 0.00 0.00 178.44 179.58 1ode h GLU 32 N 0.03 0.56 -0.02 1.13 4.81 -0.90 0.14 114.58 120.32 1ode h GLU 32 Ca 0.01 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ode h GLU 32 Cb 0.85 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ode h GLU 32 CO 0.06 0.44 0.05 0.00 -0.73 0.00 0.00 179.01 178.82 1ode h ALA 33 N 1.09 1.35 -0.38 2.92 0.00 -0.88 -1.67 119.26 121.68 1ode h ALA 33 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ode h ALA 33 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ode h ALA 33 CO -0.02 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1ode n ASN 34 N -3.48 3.31 -1.33 0.00 3.02 -0.92 -4.72 115.26 111.14 1ode n ASN 34 Ca -0.02 -2.22 -0.16 0.00 -0.03 0.00 0.00 54.58 52.14 1ode n ASN 34 Cb 0.13 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 1ode n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ode n GLY 35 N 0.44 1.20 3.67 7.41 0.00 -0.63 -4.96 105.19 112.33 1ode n GLY 35 Ca 0.15 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1ode n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ode s ILE 36 N -2.63 4.95 -0.06 -0.61 1.01 -0.01 -4.90 121.20 118.95 1ode s ILE 36 Ca 0.00 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.17 1ode s ILE 36 Cb 0.00 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.54 1ode s ILE 36 CO 0.00 0.08 1.01 0.00 0.00 0.00 0.00 174.94 176.02 1ode n GLN 37 N 5.05 1.46 -3.88 2.79 6.02 -1.26 -4.30 117.38 123.25 1ode n GLN 37 Ca 0.02 -1.77 -0.09 0.00 -0.01 0.00 0.00 57.00 55.15 1ode n GLN 37 Cb 0.49 -1.08 -0.08 0.00 1.02 0.00 0.00 30.24 30.60 1ode n GLN 37 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ode s SER 38 N -1.69 0.16 -0.00 1.08 0.15 -1.26 -5.07 113.70 107.07 1ode s SER 38 Ca 0.14 -0.68 0.16 0.00 0.70 0.00 0.00 55.95 56.27 1ode s SER 38 Cb 0.12 0.32 -0.19 0.00 -1.71 0.00 0.00 66.02 64.56 1ode s SER 38 CO 0.01 -0.71 0.63 -1.22 1.20 0.00 0.00 173.24 173.16 1ode n TYR 39 N -0.00 0.00 0.10 3.44 4.01 -1.26 -4.58 117.16 118.86 1ode n TYR 39 Ca -0.15 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.79 1ode n TYR 39 Cb 0.62 -0.08 0.75 0.00 -0.31 0.00 0.00 39.34 40.33 1ode n TYR 39 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ode h GLU 40 N 0.00 0.00 -0.30 -0.72 5.08 -1.99 -1.31 114.58 115.34 1ode h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ode h GLU 40 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ode h GLU 40 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1ode n GLU 41 N -3.82 2.23 -2.97 2.33 -0.58 -1.26 -4.82 120.64 111.75 1ode n GLU 41 Ca 0.07 -1.85 -0.43 0.00 -0.42 0.00 0.00 57.16 54.53 1ode n GLU 41 Cb 0.57 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.92 1ode n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ode s LEU 42 N -1.53 4.23 0.21 -4.62 1.43 -0.50 -0.60 118.68 117.30 1ode s LEU 42 Ca 0.36 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1ode s LEU 42 Cb 0.21 -2.97 0.16 0.00 0.03 0.00 0.00 46.19 43.61 1ode s LEU 42 CO 0.30 -0.87 1.84 0.00 0.23 0.00 0.00 176.35 177.84 1ode h ALA 43 N 8.88 0.99 -1.56 4.21 0.00 -0.60 -3.44 119.26 127.73 1ode h ALA 43 Ca -0.25 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 54.82 1ode h ALA 43 Cb 1.09 -0.31 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 1ode h ALA 43 CO 0.95 0.49 0.78 0.00 0.00 0.00 0.00 179.25 181.47 1ode s ALA 44 N -5.88 -2.09 -0.05 0.00 0.00 -1.22 -4.36 121.76 108.15 1ode s ALA 44 Ca -0.13 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1ode s ALA 44 Cb 0.15 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1ode s ALA 44 CO 0.80 -0.78 -0.02 0.08 0.00 0.00 0.00 175.76 175.84 1ode s VAL 45 N -2.51 0.40 -0.11 0.00 1.01 -0.09 -0.79 120.40 118.31 1ode s VAL 45 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1ode s VAL 45 Cb 0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1ode s VAL 45 CO -0.04 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.54 1ode s ILE 46 N 1.22 3.32 0.17 2.22 1.01 -0.12 -1.88 121.20 127.13 1ode s ILE 46 Ca -0.07 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1ode s ILE 46 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1ode s ILE 46 CO -0.02 0.54 -0.17 -0.36 0.00 0.00 0.00 174.94 174.93 1ode s PHE 47 N 0.04 2.48 0.01 3.97 0.40 0.56 -0.35 117.98 125.09 1ode s PHE 47 Ca -0.03 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1ode s PHE 47 Cb -0.14 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 1ode s PHE 47 CO 0.04 0.48 -0.02 0.95 0.70 0.00 0.00 175.22 177.37 1ode s THR 48 N -1.57 0.13 0.03 0.64 -4.23 -0.42 -0.43 115.64 109.78 1ode s THR 48 Ca 0.22 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1ode s THR 48 Cb -0.09 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1ode s THR 48 CO 0.12 -0.19 -0.12 0.68 -0.54 0.00 0.00 174.62 174.56 1ode s VAL 49 N -0.64 0.97 0.82 2.29 -7.23 -0.84 -0.96 120.40 114.81 1ode s VAL 49 Ca -0.06 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1ode s VAL 49 Cb -0.05 -0.88 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1ode s VAL 49 CO -0.00 0.02 1.09 0.42 -0.31 0.00 0.00 175.10 176.32 1ode s THR 50 N -0.75 3.04 0.53 5.32 -4.23 -0.99 -1.33 115.64 117.24 1ode s THR 50 Ca 0.01 0.34 0.26 0.00 -1.18 0.00 0.00 61.69 61.11 1ode s THR 50 Cb -0.07 -2.82 0.40 0.00 1.34 0.00 0.00 72.50 71.35 1ode s THR 50 CO 0.01 -0.44 1.99 -0.08 -0.54 0.00 0.00 174.62 175.56 1ode h GLU 51 N -1.31 0.00 -0.97 3.99 4.81 -1.94 -2.47 114.58 116.69 1ode h GLU 51 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ode h GLU 51 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ode h GLU 51 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 1ode n ASP 52 N -4.35 1.28 -3.61 1.04 5.68 -1.26 -4.66 116.55 110.66 1ode n ASP 52 Ca 0.10 -1.89 -0.20 0.00 -0.50 0.00 0.00 54.79 52.30 1ode n ASP 52 Cb 0.62 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.97 1ode n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ode s LEU 53 N 0.00 0.03 0.00 -2.12 1.43 -0.93 -4.67 118.68 112.42 1ode s LEU 53 Ca 0.00 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1ode s LEU 53 Cb 0.00 0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.50 1ode s LEU 53 CO 0.00 -0.29 0.98 0.35 0.23 0.00 0.00 176.35 177.62 1ode n THR 54 N 5.31 0.00 0.02 5.49 -2.24 -1.26 -4.81 114.28 116.78 1ode n THR 54 Ca -0.05 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 1ode n THR 54 Cb 0.50 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1ode n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ode n SER 55 N 0.17 0.75 -3.49 3.42 3.41 -1.26 -4.99 113.62 111.62 1ode n SER 55 Ca -0.09 0.33 -0.16 0.00 -0.26 0.00 0.00 58.87 58.70 1ode n SER 55 Cb 0.82 0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 1ode n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ode s ALA 56 N -2.91 -1.73 -0.07 7.33 0.00 -1.26 -4.63 121.76 118.49 1ode s ALA 56 Ca -0.04 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1ode s ALA 56 Cb 0.09 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1ode s ALA 56 CO 0.82 -0.49 1.04 -0.06 0.00 0.00 0.00 175.76 177.08 1ode s PHE 57 N -1.94 3.48 0.47 0.00 0.08 -1.26 -4.93 117.98 113.88 1ode s PHE 57 Ca -0.07 1.54 0.13 0.00 0.12 0.00 0.00 56.93 58.65 1ode s PHE 57 Cb -0.00 -3.23 1.09 0.00 -0.57 0.00 0.00 43.02 40.31 1ode s PHE 57 CO 0.03 -0.42 2.07 -1.35 -0.10 0.00 0.00 175.22 175.45 1ode h PRO 58 N 7.09 0.27 -0.20 0.24 0.11 -2.00 -1.59 132.00 135.92 1ode h PRO 58 Ca -0.34 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.81 1ode h PRO 58 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ode h PRO 58 CO 0.84 0.18 0.30 0.00 -0.21 0.00 0.00 178.00 179.10 1ode h ALA 59 N 1.82 1.74 -0.06 -0.75 0.00 -1.94 0.44 119.26 120.50 1ode h ALA 59 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ode h ALA 59 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ode h ALA 59 CO -0.03 -0.40 -0.27 1.49 0.00 0.00 0.00 179.25 180.04 1ode h GLU 60 N 0.00 0.11 0.00 0.00 4.57 -1.69 -2.08 114.58 115.49 1ode h GLU 60 Ca 0.09 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1ode h GLU 60 Cb 0.69 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1ode h GLU 60 CO -0.00 0.38 -0.35 0.00 -1.18 0.00 0.00 179.01 177.85 1ode h ALA 61 N 1.63 1.25 -0.21 2.92 0.00 -1.08 -1.93 119.26 121.84 1ode h ALA 61 Ca 0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1ode h ALA 61 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ode h ALA 61 CO 0.04 0.44 -0.61 0.00 0.00 0.00 0.00 179.25 179.12 1ode h ALA 62 N 1.65 0.52 -0.45 0.00 0.00 -1.45 -2.85 119.26 116.68 1ode h ALA 62 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1ode h ALA 62 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ode h ALA 62 CO 0.05 0.69 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 1ode h ARG 63 N 0.53 0.74 0.00 0.00 2.47 -1.19 -0.70 114.38 116.24 1ode h ARG 63 Ca -0.01 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1ode h ARG 63 Cb 1.20 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1ode h ARG 63 CO 0.12 0.76 -0.06 1.96 0.56 0.00 0.00 179.97 183.31 1ode h GLN 64 N 0.69 0.00 -0.62 0.04 4.20 -1.13 -2.03 115.11 116.26 1ode h GLN 64 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ode h GLN 64 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1ode h GLN 64 CO 0.02 0.06 0.00 0.44 -0.67 0.00 0.00 178.83 178.68 1ode n ILE 65 N -4.43 2.41 -0.67 2.54 -5.35 -1.00 -4.93 119.36 107.93 1ode n ILE 65 Ca -0.03 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 1ode n ILE 65 Cb 0.14 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 1ode n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ode n GLY 66 N 0.85 0.60 1.83 3.28 0.00 -0.76 -4.97 105.19 106.01 1ode n GLY 66 Ca 0.27 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1ode n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ode n MET 67 N -2.67 1.84 0.30 1.61 2.81 -0.30 -4.58 117.12 116.13 1ode n MET 67 Ca 0.00 -1.83 0.18 0.00 -1.81 0.00 0.00 57.70 54.24 1ode n MET 67 Cb 0.00 -1.72 0.96 0.00 -0.71 0.00 0.00 33.22 31.76 1ode n MET 67 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1ode h HIS 68 N 0.99 0.00 -0.01 2.03 2.07 -1.82 -2.03 115.15 116.39 1ode h HIS 68 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 1ode h HIS 68 Cb 1.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.59 1ode h HIS 68 CO 0.94 0.03 -0.46 0.54 -3.07 0.00 0.00 177.93 175.91 1ode n ARG 69 N -3.41 0.67 -3.15 5.12 5.12 -1.26 -4.87 116.66 114.88 1ode n ARG 69 Ca -0.02 -0.47 -0.40 0.00 -1.93 0.00 0.00 57.85 55.02 1ode n ARG 69 Cb 0.14 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.89 1ode n ARG 69 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ode s VAL 70 N -2.65 5.04 0.18 1.55 1.01 -0.77 -5.02 120.40 119.74 1ode s VAL 70 Ca 0.18 1.11 -0.32 0.00 0.00 0.00 0.00 61.98 62.95 1ode s VAL 70 Cb 0.18 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1ode s VAL 70 CO 0.61 0.11 1.72 -2.84 0.00 0.00 0.00 175.10 174.71 1ode s PRO 71 N 1.96 4.14 0.08 2.72 0.02 -1.26 -4.87 135.00 137.80 1ode s PRO 71 Ca 0.27 2.57 0.08 0.00 0.02 0.00 0.00 61.00 63.94 1ode s PRO 71 Cb -0.16 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1ode s PRO 71 CO 0.10 -0.75 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.29 1ode s LEU 72 N 1.48 2.26 -0.07 -5.54 1.43 -1.26 -0.92 118.68 116.06 1ode s LEU 72 Ca 0.75 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 1ode s LEU 72 Cb -0.48 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 44.82 1ode s LEU 72 CO 0.33 0.10 0.26 -0.22 0.23 0.00 0.00 176.35 177.05 1ode s LEU 73 N -1.68 1.01 0.04 1.79 2.96 -0.79 -4.98 118.68 117.03 1ode s LEU 73 Ca 0.07 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1ode s LEU 73 Cb -0.10 0.97 -0.02 0.00 0.50 0.00 0.00 46.19 47.54 1ode s LEU 73 CO 0.04 -0.19 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.78 1ode s SER 74 N -0.30 1.87 0.23 3.68 1.04 -1.26 -0.32 113.70 118.64 1ode s SER 74 Ca -0.04 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1ode s SER 74 Cb -0.03 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1ode s SER 74 CO 0.01 0.07 0.23 0.00 0.98 0.00 0.00 173.24 174.53 1ode s ALA 75 N -0.81 0.90 0.01 5.32 0.00 0.43 -4.95 121.76 122.67 1ode s ALA 75 Ca 0.03 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 1ode s ALA 75 Cb -0.08 1.32 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 1ode s ALA 75 CO 0.01 -0.66 0.33 1.03 0.00 0.00 0.00 175.76 176.48 1ode s ARG 76 N -4.03 3.71 0.44 0.00 0.52 -1.26 -1.98 118.95 116.35 1ode s ARG 76 Ca 0.35 0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.58 1ode s ARG 76 Cb 0.05 -3.11 -0.07 0.00 0.52 0.00 0.00 34.95 32.34 1ode s ARG 76 CO 0.13 0.65 0.83 -2.00 0.02 0.00 0.00 175.30 174.93 1ode s GLU 77 N -1.51 3.81 -0.02 3.54 2.56 -0.44 -4.84 118.70 121.81 1ode s GLU 77 Ca 0.26 0.59 -0.30 0.00 0.00 0.00 0.00 54.97 55.52 1ode s GLU 77 Cb -0.14 -2.32 -0.05 0.00 2.00 0.00 0.00 34.13 33.62 1ode s GLU 77 CO 0.14 -0.11 1.36 0.08 -0.56 0.00 0.00 175.26 176.17 1ode s VAL 78 N -2.46 3.85 -1.20 3.70 1.01 -1.26 -4.52 120.40 119.52 1ode s VAL 78 Ca 0.53 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 1ode s VAL 78 Cb -0.10 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1ode s VAL 78 CO 0.32 -0.01 2.01 -0.81 0.00 0.00 0.00 175.10 176.62 1ode n PRO 79 N 5.40 2.38 -2.57 2.72 -0.04 -1.26 -4.95 135.00 136.69 1ode n PRO 79 Ca 0.13 -2.50 -0.42 0.00 -0.04 0.00 0.00 63.50 60.66 1ode n PRO 79 Cb 0.44 -3.28 -0.03 0.00 -0.04 0.00 0.00 33.50 30.60 1ode n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ode s VAL 80 N 4.86 4.51 0.03 0.52 1.01 -1.26 -4.97 120.40 125.10 1ode s VAL 80 Ca 0.54 1.80 -0.35 0.00 0.00 0.00 0.00 61.98 63.97 1ode s VAL 80 Cb 0.10 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 1ode s VAL 80 CO 0.03 0.02 1.63 -2.65 0.00 0.00 0.00 175.10 174.13 1ode n PRO 81 N 4.93 1.85 -0.89 2.72 -0.02 -1.26 -1.17 135.00 141.16 1ode n PRO 81 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1ode n PRO 81 Cb 0.48 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1ode n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ode n GLY 82 N 3.58 0.74 3.86 -1.23 0.00 -1.26 -5.04 105.19 105.84 1ode n GLY 82 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1ode n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ode s SER 83 N -2.47 6.35 0.05 1.61 1.04 -0.32 -4.96 113.70 115.00 1ode s SER 83 Ca 0.00 1.49 -0.34 0.00 0.48 0.00 0.00 55.95 57.57 1ode s SER 83 Cb 0.00 -2.49 -0.13 0.00 0.10 0.00 0.00 66.02 63.50 1ode s SER 83 CO 0.00 -0.78 1.70 -0.11 0.98 0.00 0.00 173.24 175.03 1ode n LEU 84 N -2.30 3.16 -4.89 2.42 7.94 -1.26 -4.97 117.00 117.10 1ode n LEU 84 Ca 0.06 1.04 -0.30 0.00 -1.11 0.00 0.00 56.01 55.71 1ode n LEU 84 Cb 0.54 -1.39 0.02 0.00 0.53 0.00 0.00 43.42 43.12 1ode n LEU 84 CO 0.53 -0.23 0.65 -2.16 -1.11 0.00 0.00 177.39 175.08 1ode s PRO 85 N 2.25 3.33 -1.17 1.96 0.04 -1.26 -4.49 135.00 135.66 1ode s PRO 85 Ca 0.85 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1ode s PRO 85 Cb -0.70 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1ode s PRO 85 CO 0.44 -0.63 0.74 0.54 0.04 0.00 0.00 177.00 178.14 1ode n ARG 86 N -2.70 -0.73 -4.97 4.56 1.74 -1.26 -4.78 116.66 108.52 1ode n ARG 86 Ca 0.05 0.28 -0.32 0.00 -0.77 0.00 0.00 57.85 57.08 1ode n ARG 86 Cb 0.55 -3.30 -0.15 0.00 -1.02 0.00 0.00 32.46 28.54 1ode n ARG 86 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ode s VAL 87 N -3.48 2.72 -0.20 1.55 1.01 -1.26 -1.84 120.40 118.89 1ode s VAL 87 Ca 0.48 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1ode s VAL 87 Cb -0.22 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1ode s VAL 87 CO 0.92 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.91 1ode s ILE 88 N -0.08 3.54 0.06 2.22 1.01 0.50 -2.34 121.20 126.11 1ode s ILE 88 Ca -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1ode s ILE 88 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1ode s ILE 88 CO 0.04 0.43 -0.14 -0.13 0.00 0.00 0.00 174.94 175.14 1ode s ARG 89 N 1.21 2.14 -0.01 2.79 0.52 -0.14 -1.60 118.95 123.86 1ode s ARG 89 Ca 0.03 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1ode s ARG 89 Cb -0.14 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1ode s ARG 89 CO -0.01 0.54 -0.12 0.08 0.02 0.00 0.00 175.30 175.81 1ode s VAL 90 N -1.03 0.96 -0.26 3.52 1.01 -0.12 -1.31 120.40 123.17 1ode s VAL 90 Ca 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ode s VAL 90 Cb -0.11 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.55 1ode s VAL 90 CO 0.08 0.25 0.03 -0.22 0.00 0.00 0.00 175.10 175.25 1ode s LEU 91 N -0.33 2.20 -0.09 3.92 2.96 0.53 -1.56 118.68 126.31 1ode s LEU 91 Ca 0.04 -1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 52.54 1ode s LEU 91 Cb -0.05 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1ode s LEU 91 CO -0.00 -0.33 0.27 0.00 -1.32 0.00 0.00 176.35 174.97 1ode s ALA 92 N 1.57 3.74 -0.34 5.97 0.00 0.01 -0.94 121.76 131.77 1ode s ALA 92 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1ode s ALA 92 Cb -0.18 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1ode s ALA 92 CO -0.14 0.44 0.18 -0.51 0.00 0.00 0.00 175.76 175.73 1ode s LEU 93 N -0.67 4.37 -0.19 0.00 1.43 0.03 -0.16 118.68 123.51 1ode s LEU 93 Ca 0.18 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1ode s LEU 93 Cb -0.14 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1ode s LEU 93 CO 0.07 -0.27 -0.05 0.86 0.23 0.00 0.00 176.35 177.19 1ode s TRP 94 N 1.60 2.96 -0.45 0.29 -0.00 0.00 0.16 118.94 123.50 1ode s TRP 94 Ca 0.04 -0.66 -0.29 0.00 -0.00 0.00 0.00 56.10 55.19 1ode s TRP 94 Cb -0.18 -2.02 0.03 0.00 -0.00 0.00 0.00 33.47 31.29 1ode s TRP 94 CO 0.07 -0.32 1.11 -0.80 -0.00 0.00 0.00 176.95 177.00 1ode s ASN 95 N 0.96 6.67 0.07 5.86 0.01 0.23 -0.48 114.94 128.27 1ode s ASN 95 Ca -0.00 0.54 -0.26 0.00 -0.71 0.00 0.00 52.86 52.42 1ode s ASN 95 Cb -0.15 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.06 1ode s ASN 95 CO 0.01 -1.17 0.73 0.28 -1.51 0.00 0.00 177.10 175.44 1ode s THR 96 N 4.26 0.00 -1.75 1.60 -1.32 -0.38 -4.90 115.64 113.15 1ode s THR 96 Ca 0.47 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.16 1ode s THR 96 Cb -0.08 -1.00 0.68 0.00 -1.51 0.00 0.00 72.50 70.59 1ode s THR 96 CO 0.29 0.00 1.57 -0.90 -2.21 0.00 0.00 174.62 173.37 1ode n ASP 97 N -0.22 4.23 -4.70 8.08 5.75 -1.26 -4.04 116.55 124.38 1ode n ASP 97 Ca -0.14 -2.13 -0.42 0.00 -0.01 0.00 0.00 54.79 52.10 1ode n ASP 97 Cb 0.63 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1ode n ASP 97 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ode s THR 98 N -1.24 3.39 0.58 2.12 2.01 -1.26 -4.97 115.64 116.27 1ode s THR 98 Ca 0.50 0.92 -0.20 0.00 0.31 0.00 0.00 61.69 63.23 1ode s THR 98 Cb 0.28 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1ode s THR 98 CO 0.31 0.04 1.31 -2.84 -0.69 0.00 0.00 174.62 172.75 1ode s PRO 99 N 1.69 2.94 0.27 4.92 0.02 -1.26 -4.86 135.00 138.71 1ode s PRO 99 Ca 0.66 2.10 -0.00 0.00 0.02 0.00 0.00 61.00 63.77 1ode s PRO 99 Cb -0.36 -2.08 0.60 0.00 0.02 0.00 0.00 34.50 32.69 1ode s PRO 99 CO 0.29 -1.31 1.69 0.37 -0.33 0.00 0.00 177.00 177.71 1ode h GLN 100 N 1.09 0.31 0.00 5.54 4.15 -1.97 0.19 115.11 124.42 1ode h GLN 100 Ca -0.51 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1ode h GLN 100 Cb 1.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1ode h GLN 100 CO 0.56 0.21 0.00 -0.40 -1.93 0.00 0.00 178.83 177.26 1ode n ASP 101 N -5.12 0.00 -0.15 -0.69 5.68 -1.26 -2.67 116.55 112.35 1ode n ASP 101 Ca 0.18 -0.17 0.10 0.00 -0.50 0.00 0.00 54.79 54.40 1ode n ASP 101 Cb 0.57 -0.22 -0.08 0.00 -1.14 0.00 0.00 41.12 40.25 1ode n ASP 101 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ode n ARG 102 N -1.22 0.77 -2.56 0.11 5.12 0.64 -4.93 116.66 114.59 1ode n ARG 102 Ca 0.11 -0.30 -0.41 0.00 -1.93 0.00 0.00 57.85 55.32 1ode n ARG 102 Cb 0.15 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 1ode n ARG 102 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ode s VAL 103 N -2.69 4.17 -0.21 1.55 1.01 -1.09 -4.96 120.40 118.18 1ode s VAL 103 Ca 0.10 1.72 -0.10 0.00 0.00 0.00 0.00 61.98 63.71 1ode s VAL 103 Cb 0.15 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1ode s VAL 103 CO 0.72 0.23 0.12 -0.13 0.00 0.00 0.00 175.10 176.04 1ode s ARG 104 N 0.26 4.12 0.05 2.72 1.81 -1.26 -5.07 118.95 121.58 1ode s ARG 104 Ca 0.52 -0.26 0.02 0.00 -1.72 0.00 0.00 55.73 54.29 1ode s ARG 104 Cb -0.27 -3.40 -0.04 0.00 -0.45 0.00 0.00 34.95 30.79 1ode s ARG 104 CO 0.32 0.24 0.09 -1.01 -0.68 0.00 0.00 175.30 174.25 1ode s HIS 105 N 0.52 3.25 -0.16 -0.53 3.76 -1.26 -4.73 115.29 116.13 1ode s HIS 105 Ca 0.07 0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 1ode s HIS 105 Cb -0.12 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.91 1ode s HIS 105 CO -0.00 0.54 -0.20 0.08 -0.85 0.00 0.00 174.74 174.30 1ode s VAL 106 N -1.32 2.01 -0.22 -0.90 1.01 -0.43 -5.01 120.40 115.53 1ode s VAL 106 Ca 0.27 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1ode s VAL 106 Cb -0.12 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1ode s VAL 106 CO 0.19 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.39 1ode s TYR 107 N 1.09 2.92 0.11 5.22 2.02 -1.26 -0.94 117.35 126.52 1ode s TYR 107 Ca -0.00 -1.97 0.06 0.00 -0.37 0.00 0.00 57.07 54.79 1ode s TYR 107 Cb -0.14 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1ode s TYR 107 CO -0.08 -0.83 -0.01 -0.51 -1.57 0.00 0.00 175.55 172.55 1ode s LEU 108 N 1.23 3.37 0.00 -1.29 1.43 0.05 -4.36 118.68 119.11 1ode s LEU 108 Ca -0.03 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1ode s LEU 108 Cb -0.17 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1ode s LEU 108 CO -0.08 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.19 1ode n ARG 109 N 0.41 0.00 0.28 1.70 1.74 -1.26 -1.57 116.66 117.95 1ode n ARG 109 Ca -0.11 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.14 1ode n ARG 109 Cb 0.53 0.00 0.74 0.00 -1.02 0.00 0.00 32.46 32.71 1ode n ARG 109 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ode h GLU 110 N 0.00 0.00 0.00 5.56 4.57 -1.95 -2.63 114.58 120.13 1ode h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ode h GLU 110 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ode h GLU 110 CO 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 179.01 177.86 1ode n ALA 111 N -2.12 1.52 0.26 2.92 0.00 -0.61 -2.59 120.51 119.90 1ode n ALA 111 Ca -0.00 0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.70 1ode n ALA 111 Cb 0.28 -1.33 0.92 0.00 0.00 0.00 0.00 19.45 19.32 1ode n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ode h VAL 112 N 0.00 0.27 0.00 0.00 2.07 -1.57 0.39 116.25 117.41 1ode h VAL 112 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ode h VAL 112 Cb 0.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1ode h VAL 112 CO 0.00 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.13 1ode n ARG 113 N -3.46 0.59 -0.00 1.57 1.74 -1.07 -2.91 116.66 113.13 1ode n ARG 113 Ca -0.00 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1ode n ARG 113 Cb 0.27 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 1ode n ARG 113 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ode n LEU 114 N -1.13 0.75 -4.46 0.55 4.77 0.14 -4.98 117.00 112.64 1ode n LEU 114 Ca 0.16 -0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 55.47 1ode n LEU 114 Cb 0.13 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.48 1ode n LEU 114 CO 0.16 0.19 0.50 -0.60 -1.33 0.00 0.00 177.39 176.31 1ode s ARG 115 N -3.08 -1.24 0.00 3.23 3.52 -1.14 -5.15 118.95 115.08 1ode s ARG 115 Ca 0.04 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1ode s ARG 115 Cb 0.15 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 1ode s ARG 115 CO 0.86 -3.91 0.00 -3.68 -0.81 0.00 0.00 175.30 167.76