#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i s LEU 13 N 0.00 2.09 -0.17 4.31 2.34 -1.26 -5.13 118.68 120.85 3h1i s LEU 13 Ca 0.00 -0.44 -0.10 0.00 0.06 0.00 0.00 54.13 53.65 3h1i s LEU 13 Cb 0.00 -1.06 -0.05 0.00 -0.56 0.00 0.00 46.19 44.53 3h1i s LEU 13 CO 0.00 0.23 0.16 -0.69 -1.06 0.00 0.00 176.35 174.98 3h1i s VAL 14 N -0.61 5.41 -0.57 1.48 1.01 -1.26 -5.05 120.40 120.81 3h1i s VAL 14 Ca 0.08 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 3h1i s VAL 14 Cb -0.08 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3h1i s VAL 14 CO 0.00 0.48 1.08 -0.62 0.00 0.00 0.00 175.10 176.03 3h1i s ASP 15 N 0.04 6.39 0.63 3.32 3.68 -1.26 -4.87 116.67 124.60 3h1i s ASP 15 Ca 0.11 -0.12 0.18 0.00 2.13 0.00 0.00 52.55 54.85 3h1i s ASP 15 Cb -0.12 -2.50 0.69 0.00 -1.45 0.00 0.00 42.92 39.54 3h1i s ASP 15 CO 0.00 -1.37 1.28 1.55 0.13 0.00 0.00 175.17 176.77 3h1i h PRO 16 N 9.44 0.00 0.33 4.34 0.13 -1.96 0.43 132.00 144.71 3h1i h PRO 16 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3h1i h PRO 16 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3h1i h PRO 16 CO 1.14 0.00 -0.16 1.25 -0.23 0.00 0.00 178.00 180.01 3h1i h LEU 17 N 0.00 -0.37 -1.20 1.56 5.85 -1.92 -2.15 115.31 117.08 3h1i h LEU 17 Ca 0.27 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.25 3h1i h LEU 17 Cb 2.33 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 43.35 3h1i h LEU 17 CO -0.00 -0.26 0.63 0.71 -0.34 0.00 0.00 178.44 179.18 3h1i h THR 18 N -0.45 0.56 -0.03 1.05 1.35 -1.32 -1.22 112.91 112.84 3h1i h THR 18 Ca -0.04 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3h1i h THR 18 Cb 0.34 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.76 3h1i h THR 18 CO 0.07 0.09 0.01 0.74 -0.25 0.00 0.00 175.52 176.19 3h1i h THR 19 N 0.51 1.16 0.00 6.82 2.02 -1.50 -2.71 112.91 119.21 3h1i h THR 19 Ca 0.61 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3h1i h THR 19 Cb 1.31 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3h1i h THR 19 CO -0.37 0.13 0.00 0.40 0.37 0.00 0.00 175.52 176.05 3h1i h ILE 20 N -0.15 0.00 0.00 3.11 2.04 -0.61 -2.10 117.51 119.80 3h1i h ILE 20 Ca 0.01 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.13 3h1i h ILE 20 Cb 0.20 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3h1i h ILE 20 CO -0.00 0.00 -0.56 0.03 0.00 0.00 0.00 178.15 177.62 3h1i h ARG 21 N 0.00 0.00 0.14 2.37 3.08 -1.21 -0.93 114.38 117.82 3h1i h ARG 21 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h1i h ARG 21 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3h1i h ARG 21 CO 0.00 0.56 -0.07 0.93 -1.07 0.00 0.00 179.97 180.33 3h1i h GLU 22 N 0.00 -0.18 -1.25 0.04 5.08 -1.07 -0.34 114.58 116.86 3h1i h GLU 22 Ca -0.01 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.74 3h1i h GLU 22 Cb 1.32 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 3h1i h GLU 22 CO 0.07 -0.12 0.83 1.25 -1.00 0.00 0.00 179.01 180.04 3h1i h HIS 23 N -0.28 0.46 0.11 4.33 2.76 -1.46 0.29 115.15 121.36 3h1i h HIS 23 Ca -0.02 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 3h1i h HIS 23 Cb 0.14 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.98 3h1i h HIS 23 CO 0.10 -0.07 -1.21 0.00 -1.30 0.00 0.00 177.93 175.45 3h1i h GLU 25 N 0.07 0.00 -0.00 0.00 5.08 0.14 -0.72 114.58 119.15 3h1i h GLU 25 Ca -0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3h1i h GLU 25 Cb 1.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 3h1i h GLU 25 CO 0.20 0.03 -0.59 1.96 -1.00 0.00 0.00 179.01 179.61 3h1i h GLN 26 N 0.00 0.01 -6.49 2.33 7.50 -1.52 -3.30 115.11 113.65 3h1i h GLN 26 Ca -0.00 -0.01 -0.60 0.00 0.50 0.00 0.00 58.65 58.54 3h1i h GLN 26 Cb 0.10 0.00 0.11 0.00 0.05 0.00 0.00 27.48 27.74 3h1i h GLN 26 CO 0.00 0.60 0.12 2.41 -1.50 0.00 0.00 178.83 180.47 3h1i n THR 27 N -3.84 2.03 0.00 -0.54 -1.04 -0.28 -4.58 114.28 106.03 3h1i n THR 27 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3h1i n THR 27 Cb 0.59 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 3h1i n THR 27 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3h1i n GLU 28 N 0.66 0.00 -0.32 -2.82 4.07 -1.26 -0.89 120.64 120.08 3h1i n GLU 28 Ca 0.09 0.36 0.11 0.00 -0.06 0.00 0.00 57.16 57.66 3h1i n GLU 28 Cb 0.33 -0.64 0.23 0.00 -0.06 0.00 0.00 31.44 31.30 3h1i n GLU 28 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h1i h LYS 29 N 0.00 0.04 0.09 5.31 1.57 -1.95 -0.23 116.57 121.41 3h1i h LYS 29 Ca 0.00 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3h1i h LYS 29 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3h1i h LYS 29 CO 0.00 0.03 -0.28 0.00 -0.57 0.00 0.00 179.45 178.62 3h1i h VAL 31 N -0.48 0.32 0.00 0.00 2.07 0.14 1.90 116.25 120.21 3h1i h VAL 31 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3h1i h VAL 31 Cb 0.52 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3h1i h VAL 31 CO -0.18 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.70 3h1i n LYS 32 N -5.41 0.01 -0.09 1.57 4.76 -0.85 0.13 118.16 118.28 3h1i n LYS 32 Ca -0.06 0.42 -0.19 0.00 -2.87 0.00 0.00 58.31 55.61 3h1i n LYS 32 Cb 0.32 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 3h1i n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h1i n ALA 33 N -1.48 1.57 -0.30 7.82 0.00 -0.45 -3.61 120.51 124.06 3h1i n ALA 33 Ca 0.01 -0.79 0.23 0.00 0.00 0.00 0.00 53.44 52.88 3h1i n ALA 33 Cb 0.04 0.19 0.53 0.00 0.00 0.00 0.00 19.45 20.21 3h1i n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1i h ARG 34 N -0.76 0.35 0.56 0.00 9.65 0.34 0.33 114.38 124.85 3h1i h ARG 34 Ca -0.41 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.42 3h1i h ARG 34 Cb 1.30 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.81 3h1i h ARG 34 CO -0.25 0.23 -0.27 1.49 2.80 0.00 0.00 179.97 183.97 3h1i h GLU 35 N 0.36 -0.73 -1.41 0.20 4.81 -0.49 -2.66 114.58 114.66 3h1i h GLU 35 Ca 0.56 0.05 0.41 0.00 -0.13 0.00 0.00 59.36 60.25 3h1i h GLU 35 Cb 1.49 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.97 3h1i h GLU 35 CO -0.24 -0.44 1.00 0.00 -0.73 0.00 0.00 179.01 178.60 3h1i h ARG 36 N -1.13 0.03 0.15 1.92 3.08 -0.48 -1.48 114.38 116.48 3h1i h ARG 36 Ca -0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3h1i h ARG 36 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3h1i h ARG 36 CO 0.13 0.02 -0.07 1.25 -1.07 0.00 0.00 179.97 180.22 3h1i h LEU 37 N 0.03 -0.18 -0.69 3.04 5.85 -1.03 -2.98 115.31 119.36 3h1i h LEU 37 Ca 0.69 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.55 3h1i h LEU 37 Cb 2.67 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 43.62 3h1i h LEU 37 CO -0.06 0.19 -0.19 -0.62 -0.34 0.00 0.00 178.44 177.42 3h1i n GLU 38 N -4.32 -0.08 0.09 1.25 -0.58 -0.60 0.18 120.64 116.59 3h1i n GLU 38 Ca -0.03 1.07 -0.12 0.00 -0.42 0.00 0.00 57.16 57.66 3h1i n GLU 38 Cb 0.08 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 3h1i n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3h1i h LEU 39 N 0.00 -0.64 0.92 -4.62 3.38 -1.54 0.05 115.31 112.87 3h1i h LEU 39 Ca 0.31 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3h1i h LEU 39 Cb 0.48 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.49 3h1i h LEU 39 CO -0.70 -0.31 -0.44 0.00 0.09 0.00 0.00 178.44 177.08 3h1i n ASP 41 N -5.47 -0.73 0.09 0.00 2.03 0.99 -0.52 116.55 112.95 3h1i n ASP 41 Ca -0.15 1.58 -0.06 0.00 0.52 0.00 0.00 54.79 56.68 3h1i n ASP 41 Cb 0.49 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 3h1i n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1i h ALA 42 N 0.94 -0.85 -0.45 -1.67 0.00 -0.81 0.37 119.26 116.78 3h1i h ALA 42 Ca 0.25 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3h1i h ALA 42 Cb 0.47 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3h1i h ALA 42 CO -0.88 -0.87 0.47 0.07 0.00 0.00 0.00 179.25 178.04 3h1i h ARG 43 N -0.34 0.00 0.05 0.00 0.11 0.21 1.00 114.38 115.41 3h1i h ARG 43 Ca -0.02 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.76 3h1i h ARG 43 Cb 0.30 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 3h1i h ARG 43 CO -0.04 0.00 -1.67 0.28 0.10 0.00 0.00 179.97 178.64 3h1i h VAL 44 N 0.00 0.94 0.69 0.08 2.07 -0.46 -3.18 116.25 116.39 3h1i h VAL 44 Ca 0.21 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.99 3h1i h VAL 44 Cb 1.15 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 33.46 3h1i h VAL 44 CO -0.00 0.67 -0.33 0.28 0.02 0.00 0.00 177.57 178.21 3h1i h SER 45 N 0.03 -0.79 0.00 0.57 0.02 0.22 -3.35 113.55 110.24 3h1i h SER 45 Ca -0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3h1i h SER 45 Cb 2.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.74 3h1i h SER 45 CO 0.10 -0.53 0.00 -1.54 -1.14 0.00 0.00 176.83 173.72 3h1i n SER 46 N -5.47 0.00 -2.94 3.07 3.41 -0.51 -4.70 113.62 106.48 3h1i n SER 46 Ca -0.14 0.40 -0.40 0.00 -0.26 0.00 0.00 58.87 58.48 3h1i n SER 46 Cb 0.38 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 3h1i n SER 46 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1i n ARG 47 N -0.54 0.00 -4.01 4.33 3.00 -1.20 -4.91 116.66 113.32 3h1i n ARG 47 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 3h1i n ARG 47 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 32.46 31.42 3h1i n ARG 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3h1i s SER 48 N 0.84 5.89 -0.34 6.15 0.01 -1.26 -4.66 113.70 120.32 3h1i s SER 48 Ca 0.62 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 58.11 3h1i s SER 48 Cb -0.87 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 63.46 3h1i s SER 48 CO 0.43 0.31 0.36 1.57 0.41 0.00 0.00 173.24 176.32 3h1i n HIS 49 N 2.63 -1.68 -4.46 2.43 -0.00 -1.26 -5.08 115.22 107.79 3h1i n HIS 49 Ca -0.18 0.65 -0.24 0.00 -0.00 0.00 0.00 57.72 57.95 3h1i n HIS 49 Cb 0.54 -2.89 -0.08 0.00 -0.00 0.00 0.00 29.99 27.55 3h1i n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1i s THR 50 N -2.63 0.43 -0.03 3.57 -1.32 -1.26 -5.08 115.64 109.31 3h1i s THR 50 Ca 0.04 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.54 3h1i s THR 50 Cb -0.01 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 3h1i s THR 50 CO 0.40 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 174.03 3h1i n GLU 51 N -0.85 2.96 -0.86 7.08 4.07 -1.26 -5.07 120.64 126.71 3h1i n GLU 51 Ca -0.03 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.73 3h1i n GLU 51 Cb 0.64 -1.07 0.10 0.00 -0.06 0.00 0.00 31.44 31.04 3h1i n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3h1i n GLU 52 N -2.19 -0.40 -3.71 5.31 2.13 -1.26 -5.04 120.64 115.49 3h1i n GLU 52 Ca -0.05 -0.10 -0.12 0.00 0.66 0.00 0.00 57.16 57.55 3h1i n GLU 52 Cb 0.59 -1.48 -0.10 0.00 0.27 0.00 0.00 31.44 30.72 3h1i n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h1i s GLN 53 N -2.94 0.48 -0.43 5.31 -0.21 -1.26 -5.06 119.66 115.55 3h1i s GLN 53 Ca 0.49 0.68 -0.00 0.00 0.02 0.00 0.00 55.36 56.55 3h1i s GLN 53 Cb -0.15 0.17 0.36 0.00 1.00 0.00 0.00 33.01 34.38 3h1i s GLN 53 CO 0.72 -0.09 1.93 0.00 -2.12 0.00 0.00 175.29 175.73 3h1i h THR 55 N 0.93 0.00 -0.75 0.00 2.02 -1.99 -2.70 112.91 110.42 3h1i h THR 55 Ca 0.44 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.61 3h1i h THR 55 Cb 1.23 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.52 3h1i h THR 55 CO 1.04 0.00 -0.30 1.21 0.37 0.00 0.00 175.52 177.85 3h1i n GLU 56 N -3.02 -0.18 0.13 6.66 2.13 -1.26 0.39 120.64 125.49 3h1i n GLU 56 Ca -0.03 1.15 -0.13 0.00 0.66 0.00 0.00 57.16 58.81 3h1i n GLU 56 Cb 0.10 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 3h1i n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1i h GLU 57 N 0.00 -0.42 -1.03 5.31 3.07 -1.90 0.17 114.58 119.78 3h1i h GLU 57 Ca 0.25 0.03 0.29 0.00 -0.50 0.00 0.00 59.36 59.43 3h1i h GLU 57 Cb 0.44 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 28.32 3h1i h GLU 57 CO -0.74 -0.28 0.61 1.25 -1.40 0.00 0.00 179.01 178.45 3h1i h LEU 58 N -0.43 0.56 0.32 1.33 5.85 0.29 -0.19 115.31 123.03 3h1i h LEU 58 Ca 0.01 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3h1i h LEU 58 Cb 0.43 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h1i h LEU 58 CO -0.08 0.00 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.61 3h1i h PHE 59 N 0.44 -0.39 -0.88 1.25 0.04 0.48 0.16 116.94 118.03 3h1i h PHE 59 Ca 0.68 -0.01 0.31 0.00 2.80 0.00 0.00 57.97 61.75 3h1i h PHE 59 Cb 1.50 0.13 -0.16 0.00 2.20 0.00 0.00 35.95 39.61 3h1i h PHE 59 CO -0.01 -0.25 0.26 -0.25 -0.60 0.00 0.00 178.31 177.47 3h1i n ASP 60 N -3.86 0.12 0.00 2.17 8.00 0.44 0.80 116.55 124.23 3h1i n ASP 60 Ca -0.05 1.48 0.00 0.00 0.71 0.00 0.00 54.79 56.93 3h1i n ASP 60 Cb 0.17 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3h1i n ASP 60 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3h1i n PHE 61 N -5.13 0.00 -0.21 1.24 7.35 -0.16 -2.37 117.46 118.18 3h1i n PHE 61 Ca 0.28 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.96 3h1i n PHE 61 Cb 0.93 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.78 3h1i n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3h1i n LEU 62 N -0.46 -0.36 -0.28 -2.13 4.77 0.04 0.12 117.00 118.70 3h1i n LEU 62 Ca 0.00 0.96 -0.08 0.00 -0.03 0.00 0.00 56.01 56.87 3h1i n LEU 62 Cb 0.00 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 3h1i n LEU 62 CO 0.00 -0.86 0.49 -0.74 -1.33 0.00 0.00 177.39 174.94 3h1i h HIS 63 N 0.00 -1.31 -0.54 -1.77 2.76 0.35 0.28 115.15 114.92 3h1i h HIS 63 Ca 0.19 0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3h1i h HIS 63 Cb 0.33 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 3h1i h HIS 63 CO -0.49 -0.26 0.09 0.00 -1.30 0.00 0.00 177.93 175.97 3h1i h ALA 64 N 0.01 1.13 -0.54 5.26 0.00 0.13 -1.67 119.26 123.60 3h1i h ALA 64 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h1i h ALA 64 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h1i h ALA 64 CO -0.64 0.57 0.00 -2.13 0.00 0.00 0.00 179.25 177.05 3h1i n ARG 65 N -4.24 0.00 -0.28 0.00 0.63 0.31 -2.58 116.66 110.50 3h1i n ARG 65 Ca 0.04 0.41 0.10 0.00 -0.92 0.00 0.00 57.85 57.47 3h1i n ARG 65 Cb 0.26 -1.35 0.24 0.00 0.45 0.00 0.00 32.46 32.07 3h1i n ARG 65 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3h1i h ASP 66 N 0.00 0.00 -0.40 6.15 5.19 -0.66 0.63 116.42 127.34 3h1i h ASP 66 Ca 0.00 0.18 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 3h1i h ASP 66 Cb 0.00 0.24 -0.09 0.00 0.18 0.00 0.00 39.33 39.66 3h1i h ASP 66 CO 0.00 -0.11 -0.41 -0.74 -3.12 0.00 0.00 179.24 174.86 3h1i h HIS 67 N 0.24 -1.20 -0.26 4.55 2.76 -1.33 0.68 115.15 120.58 3h1i h HIS 67 Ca 0.50 0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.80 3h1i h HIS 67 Cb 0.94 0.58 -0.07 0.00 1.55 0.00 0.00 27.41 30.42 3h1i h HIS 67 CO -0.27 -0.43 -0.17 0.00 -1.30 0.00 0.00 177.93 175.75 3h1i h VAL 69 N -0.16 0.26 0.00 0.00 2.07 0.14 0.13 116.25 118.69 3h1i h VAL 69 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3h1i h VAL 69 Cb 0.37 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3h1i h VAL 69 CO -0.36 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.23 3h1i h ALA 70 N 1.62 1.00 0.00 1.67 0.00 0.94 0.18 119.26 124.66 3h1i h ALA 70 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h1i h ALA 70 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h1i h ALA 70 CO -0.73 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.10 3h1i n HIS 71 N -2.83 0.00 0.00 0.00 -0.00 0.44 -4.25 115.22 108.58 3h1i n HIS 71 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 3h1i n HIS 71 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 3h1i n HIS 71 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3h1i n LYS 72 N -0.72 0.00 -0.05 1.57 2.85 -1.11 -4.96 118.16 115.74 3h1i n LYS 72 Ca 0.08 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.59 3h1i n LYS 72 Cb 0.04 0.00 0.61 0.00 -0.65 0.00 0.00 35.03 35.02 3h1i n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1i h LEU 73 N 0.00 0.00 -0.33 -5.58 5.85 -0.82 0.55 115.31 114.98 3h1i h LEU 73 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h1i h LEU 73 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3h1i h LEU 73 CO 0.00 0.00 -0.02 0.49 -0.34 0.00 0.00 178.44 178.57 3h1i n PHE 74 N -3.47 0.00 0.03 1.25 0.99 -1.26 -3.76 117.46 111.23 3h1i n PHE 74 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.41 3h1i n PHE 74 Cb 1.05 -0.04 -0.12 0.00 -1.00 0.00 0.00 39.48 39.37 3h1i n PHE 74 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3h1i h ASN 75 N 0.79 0.56 -0.19 4.37 2.35 -0.29 -3.27 115.58 119.90 3h1i h ASN 75 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3h1i h ASN 75 Cb 0.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3h1i h ASN 75 CO 0.00 1.32 0.00 0.29 -1.65 0.00 0.00 177.43 177.39 3h1i n LYS 76 N -4.13 1.63 -4.15 0.81 5.02 -1.25 -4.81 118.16 111.28 3h1i n LYS 76 Ca -0.12 -0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 54.87 3h1i n LYS 76 Cb 0.76 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 3h1i n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1i s LEU 77 N -1.36 3.70 0.00 -0.35 1.43 -1.23 -4.95 118.68 115.91 3h1i s LEU 77 Ca 0.27 0.08 0.29 0.00 -1.03 0.00 0.00 54.13 53.75 3h1i s LEU 77 Cb 0.14 -1.91 1.33 0.00 0.03 0.00 0.00 46.19 45.78 3h1i s LEU 77 CO 0.21 0.23 1.90 1.17 0.23 0.00 0.00 176.35 180.09