#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcc s VAL 14 N 0.00 0.11 -0.26 4.08 1.01 -1.26 -5.10 120.40 118.97 2bcc s VAL 14 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2bcc s VAL 14 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2bcc s VAL 14 CO 0.00 0.14 1.97 -0.62 0.00 0.00 0.00 175.10 176.58 2bcc s ASP 15 N 1.14 5.76 0.36 3.32 -1.08 -1.26 -4.80 116.67 120.11 2bcc s ASP 15 Ca -0.08 1.61 0.09 0.00 -0.52 0.00 0.00 52.55 53.65 2bcc s ASP 15 Cb -0.13 -2.52 0.48 0.00 -1.46 0.00 0.00 42.92 39.29 2bcc s ASP 15 CO -0.02 -1.76 1.13 1.55 0.52 0.00 0.00 175.17 176.58 2bcc h PRO 16 N 13.56 0.00 0.42 4.34 0.13 -1.97 0.12 132.00 148.60 2bcc h PRO 16 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2bcc h PRO 16 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bcc h PRO 16 CO 1.00 0.00 -0.20 1.25 -0.23 0.00 0.00 178.00 179.82 2bcc h LEU 17 N 0.00 -0.48 -1.33 1.56 5.85 -1.93 0.30 115.31 119.29 2bcc h LEU 17 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2bcc h LEU 17 Cb 0.99 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2bcc h LEU 17 CO 0.00 -0.11 0.24 0.71 -0.34 0.00 0.00 178.44 178.94 2bcc h THR 18 N -0.90 1.17 0.01 1.05 1.35 -1.16 0.26 112.91 114.70 2bcc h THR 18 Ca -0.06 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2bcc h THR 18 Cb 0.56 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2bcc h THR 18 CO 0.09 0.20 -0.01 0.74 -0.25 0.00 0.00 175.52 176.30 2bcc h THR 19 N 0.71 1.13 0.00 6.82 2.02 -1.44 -1.08 112.91 121.08 2bcc h THR 19 Ca 0.18 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 2bcc h THR 19 Cb 0.08 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2bcc h THR 19 CO -0.02 0.11 -0.50 0.58 0.37 0.00 0.00 175.52 176.06 2bcc h VAL 20 N -0.20 1.27 -0.04 3.16 2.07 -0.65 -2.65 116.25 119.20 2bcc h VAL 20 Ca -0.00 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.64 2bcc h VAL 20 Cb 0.19 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2bcc h VAL 20 CO 0.00 0.49 -0.57 0.03 0.02 0.00 0.00 177.57 177.54 2bcc h ARG 21 N 0.00 0.13 0.28 1.57 3.08 -0.31 -0.55 114.38 118.58 2bcc h ARG 21 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2bcc h ARG 21 Cb 0.93 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2bcc h ARG 21 CO 0.06 0.66 -0.13 0.93 -1.07 0.00 0.00 179.97 180.42 2bcc h GLU 22 N 0.10 -0.36 -0.88 0.04 4.39 -0.86 0.16 114.58 117.17 2bcc h GLU 22 Ca -0.00 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.84 2bcc h GLU 22 Cb 1.03 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.63 2bcc h GLU 22 CO 0.08 -0.24 -0.45 0.37 -1.16 0.00 0.00 179.01 177.61 2bcc h GLN 23 N -0.40 -0.06 -0.40 2.33 4.15 -1.44 0.64 115.11 119.92 2bcc h GLN 23 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.47 2bcc h GLN 23 Cb 0.29 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2bcc h GLN 23 CO 0.06 -0.04 0.28 0.00 -1.93 0.00 0.00 178.83 177.20 2bcc n GLU 25 N -4.46 0.53 -0.00 0.00 0.00 0.22 -2.30 120.64 114.62 2bcc n GLU 25 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.24 2bcc n GLU 25 Cb 0.34 -1.40 -0.03 0.00 0.00 0.00 0.00 31.44 30.36 2bcc n GLU 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bcc n GLN 26 N -0.90 5.14 -1.73 3.44 -0.00 -0.81 -4.03 117.38 118.50 2bcc n GLN 26 Ca 0.10 -0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.70 2bcc n GLN 26 Cb 0.05 -0.75 0.02 0.00 -0.00 0.00 0.00 30.24 29.56 2bcc n GLN 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2bcc n LEU 27 N -1.14 4.64 -0.07 2.61 4.77 -0.97 -4.69 117.00 122.14 2bcc n LEU 27 Ca 0.01 1.08 -0.02 0.00 -0.03 0.00 0.00 56.01 57.05 2bcc n LEU 27 Cb 0.08 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.60 2bcc n LEU 27 CO 0.10 -0.49 0.24 -0.62 -1.33 0.00 0.00 177.39 175.29 2bcc n GLU 28 N -0.23 -0.08 -0.27 3.23 1.02 -1.26 -1.69 120.64 121.36 2bcc n GLU 28 Ca 0.07 0.58 -0.03 0.00 -0.02 0.00 0.00 57.16 57.76 2bcc n GLU 28 Cb 0.41 -0.87 0.03 0.00 -0.02 0.00 0.00 31.44 30.99 2bcc n GLU 28 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2bcc h LYS 29 N 0.00 -0.09 0.17 3.49 1.57 -1.95 -1.95 116.57 117.81 2bcc h LYS 29 Ca 0.03 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2bcc h LYS 29 Cb 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2bcc h LYS 29 CO -0.16 -0.06 -0.37 0.00 -0.57 0.00 0.00 179.45 178.29 2bcc h VAL 31 N -0.64 0.62 -0.64 0.00 2.07 -1.38 2.09 116.25 118.38 2bcc h VAL 31 Ca 0.02 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2bcc h VAL 31 Cb 0.64 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2bcc h VAL 31 CO -0.18 0.08 0.37 0.11 0.02 0.00 0.00 177.57 177.97 2bcc h LYS 32 N 0.46 0.68 0.08 1.57 1.57 -0.53 -0.62 116.57 119.78 2bcc h LYS 32 Ca 0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2bcc h LYS 32 Cb 0.74 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2bcc h LYS 32 CO -0.43 0.45 -0.04 0.00 -0.57 0.00 0.00 179.45 178.86 2bcc h ALA 33 N 1.31 -0.10 -0.89 3.86 0.00 0.17 -2.40 119.26 121.21 2bcc h ALA 33 Ca 0.27 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2bcc h ALA 33 Cb 0.11 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 2bcc h ALA 33 CO -0.14 -0.19 -0.06 -0.09 0.00 0.00 0.00 179.25 178.77 2bcc h ARG 34 N -0.85 0.04 0.90 0.00 9.65 0.33 0.53 114.38 124.98 2bcc h ARG 34 Ca -0.01 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2bcc h ARG 34 Cb 0.60 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.18 2bcc h ARG 34 CO 0.02 0.03 -0.43 0.93 2.80 0.00 0.00 179.97 183.31 2bcc h GLU 35 N 0.04 -1.17 -1.19 0.20 4.39 -1.17 0.39 114.58 116.08 2bcc h GLU 35 Ca 0.49 0.08 0.34 0.00 0.34 0.00 0.00 59.36 60.61 2bcc h GLU 35 Cb 0.88 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 2bcc h GLU 35 CO -0.84 -0.78 1.03 0.07 -1.16 0.00 0.00 179.01 177.34 2bcc h ARG 36 N -1.24 0.00 0.00 2.33 -0.00 -0.13 0.23 114.38 115.56 2bcc h ARG 36 Ca -0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.82 2bcc h ARG 36 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.89 2bcc h ARG 36 CO 0.20 0.00 -0.31 1.25 -0.00 0.00 0.00 179.97 181.12 2bcc h LEU 37 N 0.00 0.00 -1.22 0.08 7.12 0.85 -3.23 115.31 118.91 2bcc h LEU 37 Ca 0.56 -0.32 0.37 0.00 0.13 0.00 0.00 57.88 58.63 2bcc h LEU 37 Cb 2.62 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 42.62 2bcc h LEU 37 CO -0.01 0.83 0.70 -0.33 -0.13 0.00 0.00 178.44 179.50 2bcc h GLU 38 N -1.00 0.19 -0.18 1.25 4.39 0.18 0.75 114.58 120.16 2bcc h GLU 38 Ca -0.05 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2bcc h GLU 38 Cb 0.55 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2bcc h GLU 38 CO -0.03 0.12 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.78 2bcc h LEU 39 N 0.19 0.40 -0.12 1.33 4.07 -1.49 -2.37 115.31 117.32 2bcc h LEU 39 Ca 0.77 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 58.31 2bcc h LEU 39 Cb 2.10 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.72 2bcc h LEU 39 CO -0.51 0.72 0.08 0.00 -1.08 0.00 0.00 178.44 177.65 2bcc h ASP 41 N 0.14 -1.40 0.10 0.00 3.58 -0.93 0.16 116.42 118.07 2bcc h ASP 41 Ca 0.04 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2bcc h ASP 41 Cb 0.01 0.49 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2bcc h ASP 41 CO -0.01 -0.57 0.00 -0.62 -2.88 0.00 0.00 179.24 175.16 2bcc n GLU 42 N -5.30 0.35 -0.03 0.28 4.71 -0.90 -2.08 120.64 117.68 2bcc n GLU 42 Ca -0.10 0.06 -0.03 0.00 -0.01 0.00 0.00 57.16 57.08 2bcc n GLU 42 Cb 0.41 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.21 2bcc n GLU 42 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2bcc n ARG 43 N -1.11 0.65 -0.10 3.49 -4.01 0.40 -3.84 116.66 112.14 2bcc n ARG 43 Ca 0.09 0.08 -0.19 0.00 -1.04 0.00 0.00 57.85 56.79 2bcc n ARG 43 Cb 0.07 -1.65 -0.09 0.00 -3.04 0.00 0.00 32.46 27.75 2bcc n ARG 43 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2bcc n VAL 44 N -2.76 1.51 0.21 8.89 0.31 -0.17 -3.96 118.33 122.36 2bcc n VAL 44 Ca -0.19 -0.03 0.02 0.00 -0.01 0.00 0.00 64.34 64.13 2bcc n VAL 44 Cb 0.95 -2.11 0.11 0.00 -0.91 0.00 0.00 33.84 31.88 2bcc n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2bcc n SER 45 N -4.44 0.00 0.05 4.52 3.41 -0.88 -0.74 113.62 115.54 2bcc n SER 45 Ca -0.30 0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 2bcc n SER 45 Cb 0.62 -0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 2bcc n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2bcc h SER 46 N 0.00 0.00 -2.76 4.04 4.64 -1.69 -3.46 113.55 114.32 2bcc h SER 46 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2bcc h SER 46 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 2bcc h SER 46 CO 0.00 0.84 -0.56 -0.60 -0.87 0.00 0.00 176.83 175.64 2bcc s ARG 47 N -2.76 2.97 0.03 4.77 6.06 0.08 -5.04 118.95 125.05 2bcc s ARG 47 Ca -0.00 -0.81 0.14 0.00 -2.50 0.00 0.00 55.73 52.56 2bcc s ARG 47 Cb 0.09 -2.70 -0.17 0.00 0.06 0.00 0.00 34.95 32.23 2bcc s ARG 47 CO 0.81 0.50 0.82 0.77 -2.50 0.00 0.00 175.30 175.70 2bcc h SER 48 N 2.52 0.00 -2.94 -2.12 0.02 -1.89 -3.44 113.55 105.69 2bcc h SER 48 Ca -0.48 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.91 2bcc h SER 48 Cb 1.19 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.33 2bcc h SER 48 CO 0.64 0.79 -0.78 -1.58 -1.14 0.00 0.00 176.83 174.76 2bcc s GLN 49 N -2.77 0.51 -0.11 3.45 0.74 -1.26 -5.11 119.66 115.11 2bcc s GLN 49 Ca -0.03 -0.96 -0.19 0.00 0.05 0.00 0.00 55.36 54.24 2bcc s GLN 49 Cb 0.08 -1.56 0.04 0.00 1.10 0.00 0.00 33.01 32.68 2bcc s GLN 49 CO 0.81 -1.05 0.47 0.99 -0.55 0.00 0.00 175.29 175.96 2bcc s THR 50 N 1.64 0.02 -0.20 -0.34 2.01 -1.26 -5.06 115.64 112.44 2bcc s THR 50 Ca 0.11 -0.14 0.19 0.00 0.31 0.00 0.00 61.69 62.17 2bcc s THR 50 Cb -0.18 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 2bcc s THR 50 CO -0.24 -0.07 1.09 -0.33 -0.69 0.00 0.00 174.62 174.38 2bcc h GLU 51 N 4.55 0.00 -6.48 4.92 4.39 -2.00 -3.48 114.58 116.48 2bcc h GLU 51 Ca -0.28 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.83 2bcc h GLU 51 Cb 1.17 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.98 2bcc h GLU 51 CO 0.29 0.19 -0.32 -1.91 -1.16 0.00 0.00 179.01 176.10 2bcc n GLU 52 N -2.89 0.63 -4.26 2.33 2.13 -1.26 -5.02 120.64 112.30 2bcc n GLU 52 Ca -0.03 0.24 -0.16 0.00 0.66 0.00 0.00 57.16 57.87 2bcc n GLU 52 Cb 0.68 -1.70 -0.10 0.00 0.27 0.00 0.00 31.44 30.59 2bcc n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bcc s ASP 53 N -1.07 2.01 -0.31 4.31 1.01 -1.26 -5.03 116.67 116.33 2bcc s ASP 53 Ca 0.67 -0.94 0.09 0.00 0.71 0.00 0.00 52.55 53.07 2bcc s ASP 53 Cb -0.50 -0.05 0.56 0.00 1.01 0.00 0.00 42.92 43.94 2bcc s ASP 53 CO 0.55 -0.24 1.58 0.00 0.21 0.00 0.00 175.17 177.28 2bcc h THR 55 N 1.25 0.87 -0.11 0.00 1.35 -1.98 -0.64 112.91 113.65 2bcc h THR 55 Ca 0.28 -0.51 0.01 0.00 -0.55 0.00 0.00 66.41 65.65 2bcc h THR 55 Cb 1.94 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 2bcc h THR 55 CO 0.54 0.11 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.71 2bcc h GLU 56 N -0.54 -0.09 -0.73 4.72 4.81 -2.00 0.64 114.58 121.39 2bcc h GLU 56 Ca -0.03 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 2bcc h GLU 56 Cb 0.40 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.68 2bcc h GLU 56 CO 0.05 -0.06 -0.03 0.93 -0.73 0.00 0.00 179.01 179.16 2bcc h GLU 57 N -0.10 0.08 -0.36 1.92 3.07 -1.89 0.23 114.58 117.53 2bcc h GLU 57 Ca 0.02 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2bcc h GLU 57 Cb 0.15 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 2bcc h GLU 57 CO -0.15 0.05 0.14 1.25 -1.40 0.00 0.00 179.01 178.90 2bcc h LEU 58 N 0.08 0.17 0.31 1.33 5.85 0.10 -2.00 115.31 121.15 2bcc h LEU 58 Ca 0.39 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 2bcc h LEU 58 Cb 0.66 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2bcc h LEU 58 CO -0.66 0.14 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.17 2bcc h PHE 59 N 0.30 -0.38 -1.01 1.25 0.04 0.34 -0.16 116.94 117.32 2bcc h PHE 59 Ca 0.16 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.17 2bcc h PHE 59 Cb 0.12 0.13 -0.12 0.00 2.20 0.00 0.00 35.95 38.28 2bcc h PHE 59 CO -0.13 -0.24 0.61 -0.44 -0.60 0.00 0.00 178.31 177.51 2bcc h ASP 60 N -0.41 0.65 0.50 2.17 3.32 -0.87 0.45 116.42 122.22 2bcc h ASP 60 Ca -0.04 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2bcc h ASP 60 Cb 0.32 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2bcc h ASP 60 CO 0.07 0.10 -0.24 0.15 -1.72 0.00 0.00 179.24 177.61 2bcc h PHE 61 N 0.56 -0.62 -0.42 4.55 3.57 -0.60 -2.40 116.94 121.58 2bcc h PHE 61 Ca 0.64 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.20 2bcc h PHE 61 Cb 1.26 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.11 2bcc h PHE 61 CO -0.01 -0.38 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.22 2bcc h LEU 62 N -0.77 -1.35 -0.62 0.59 3.38 -0.27 0.31 115.31 116.56 2bcc h LEU 62 Ca -0.07 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2bcc h LEU 62 Cb 0.51 0.60 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2bcc h LEU 62 CO 0.11 -0.36 -0.44 -0.74 0.09 0.00 0.00 178.44 177.11 2bcc h HIS 63 N -0.30 -1.29 -0.69 1.13 2.76 -0.19 0.25 115.15 116.82 2bcc h HIS 63 Ca 0.15 0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2bcc h HIS 63 Cb 0.57 0.65 -0.03 0.00 1.55 0.00 0.00 27.41 30.15 2bcc h HIS 63 CO -0.61 -0.42 0.35 0.00 -1.30 0.00 0.00 177.93 175.95 2bcc h ALA 64 N 0.67 0.89 -2.00 5.26 0.00 -0.76 -1.54 119.26 121.77 2bcc h ALA 64 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bcc h ALA 64 Cb 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bcc h ALA 64 CO -0.72 0.43 0.00 -2.13 0.00 0.00 0.00 179.25 176.84 2bcc n ARG 65 N -4.47 0.00 -0.19 0.00 0.63 0.98 -3.11 116.66 110.51 2bcc n ARG 65 Ca 0.06 0.17 0.30 0.00 -0.92 0.00 0.00 57.85 57.45 2bcc n ARG 65 Cb 0.11 -1.17 0.71 0.00 0.45 0.00 0.00 32.46 32.57 2bcc n ARG 65 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2bcc h ASP 66 N 0.00 0.00 -0.82 6.15 5.19 -0.76 -0.01 116.42 126.17 2bcc h ASP 66 Ca 0.00 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2bcc h ASP 66 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 2bcc h ASP 66 CO 0.00 0.00 0.40 -0.74 -3.12 0.00 0.00 179.24 175.78 2bcc h HIS 67 N 0.00 0.69 0.03 4.55 2.76 -1.21 0.26 115.15 122.23 2bcc h HIS 67 Ca 0.45 0.03 -0.28 0.00 -2.20 0.00 0.00 60.37 58.37 2bcc h HIS 67 Cb 2.00 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 30.74 2bcc h HIS 67 CO 0.00 0.14 -1.53 0.00 -1.30 0.00 0.00 177.93 175.24 2bcc h VAL 69 N 0.02 0.37 -0.07 0.00 2.07 -0.80 0.55 116.25 118.39 2bcc h VAL 69 Ca -0.22 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 2bcc h VAL 69 Cb 1.96 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2bcc h VAL 69 CO 0.11 0.06 -0.68 0.00 0.02 0.00 0.00 177.57 177.08 2bcc h ALA 70 N 1.79 0.70 0.00 1.67 0.00 -0.53 0.79 119.26 123.67 2bcc h ALA 70 Ca 0.64 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bcc h ALA 70 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bcc h ALA 70 CO -0.59 0.76 0.00 -2.39 0.00 0.00 0.00 179.25 177.03 2bcc n HIS 71 N -3.84 0.00 0.00 0.00 -0.00 0.19 -4.16 115.22 107.41 2bcc n HIS 71 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2bcc n HIS 71 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.66 2bcc n HIS 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2bcc n LYS 72 N -0.71 0.00 -0.22 -1.40 5.02 -0.85 -4.97 118.16 115.03 2bcc n LYS 72 Ca 0.09 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.39 2bcc n LYS 72 Cb 0.04 -0.32 0.10 0.00 -0.02 0.00 0.00 35.03 34.84 2bcc n LYS 72 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2bcc h LEU 73 N 0.00 -0.42 0.00 -0.35 6.46 0.45 -0.46 115.31 120.99 2bcc h LEU 73 Ca 0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2bcc h LEU 73 Cb 0.00 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2bcc h LEU 73 CO 0.00 -0.17 0.00 0.49 -0.62 0.00 0.00 178.44 178.14 2bcc n PHE 74 N -5.36 0.00 0.00 1.25 3.01 -1.26 -2.25 117.46 112.85 2bcc n PHE 74 Ca 0.10 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.37 2bcc n PHE 74 Cb 0.37 -0.40 -0.09 0.00 -0.01 0.00 0.00 39.48 39.35 2bcc n PHE 74 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2bcc h ASN 75 N 0.00 0.93 0.17 4.37 2.35 -1.45 -3.25 115.58 118.70 2bcc h ASN 75 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 2bcc h ASN 75 Cb 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2bcc h ASN 75 CO 0.00 1.47 -0.08 -1.20 -1.65 0.00 0.00 177.43 175.97 2bcc n SER 76 N -3.91 0.75 -4.92 5.81 7.64 -0.96 -4.84 113.62 113.19 2bcc n SER 76 Ca -0.09 -0.96 -0.28 0.00 1.01 0.00 0.00 58.87 58.55 2bcc n SER 76 Cb 0.80 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.96 2bcc n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bcc s LEU 77 N -2.25 4.23 0.00 -3.43 1.43 -1.23 -4.96 118.68 112.47 2bcc s LEU 77 Ca 0.34 0.42 0.29 0.00 -1.03 0.00 0.00 54.13 54.15 2bcc s LEU 77 Cb 0.21 -3.18 1.17 0.00 0.03 0.00 0.00 46.19 44.42 2bcc s LEU 77 CO 0.42 -0.03 1.81 1.17 0.23 0.00 0.00 176.35 179.96