#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvm n HIS 25 N 0.00 0.00 0.60 1.96 -0.00 -1.26 -3.69 115.22 112.83 1jvm n HIS 25 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1jvm n HIS 25 Cb 0.00 -0.08 0.35 0.00 -0.00 0.00 0.00 29.99 30.25 1jvm n HIS 25 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1jvm n TRP 26 N -1.44 0.89 0.25 -1.40 7.02 -1.26 -2.09 117.44 119.41 1jvm n TRP 26 Ca 0.05 0.26 0.13 0.00 -1.02 0.00 0.00 57.50 56.92 1jvm n TRP 26 Cb 0.34 -0.90 0.62 0.00 -2.42 0.00 0.00 31.31 28.95 1jvm n TRP 26 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jvm h ARG 27 N 0.00 0.00 0.13 -0.99 3.08 -2.02 -1.92 114.38 112.67 1jvm h ARG 27 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1jvm h ARG 27 Cb 0.75 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.82 1jvm h ARG 27 CO 0.00 0.14 -1.24 0.00 -1.07 0.00 0.00 179.97 177.79 1jvm h ALA 28 N 1.86 0.04 0.14 0.04 0.00 -1.63 -3.18 119.26 116.54 1jvm h ALA 28 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1jvm h ALA 28 Cb 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jvm h ALA 28 CO 0.02 0.77 -0.15 0.00 0.00 0.00 0.00 179.25 179.89 1jvm h ALA 29 N 0.40 -0.85 -1.15 0.00 0.00 -1.31 -1.91 119.26 114.43 1jvm h ALA 29 Ca -0.17 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.04 1jvm h ALA 29 Cb 1.93 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 20.01 1jvm h ALA 29 CO 0.23 -0.86 0.72 0.78 0.00 0.00 0.00 179.25 180.12 1jvm h GLY 30 N -0.29 1.46 0.21 0.00 0.00 -1.63 0.30 103.07 103.12 1jvm h GLY 30 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1jvm h GLY 30 CO -0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 176.54 175.87 1jvm h ALA 31 N 1.67 -0.92 -0.50 3.60 0.00 -1.34 -1.39 119.26 120.37 1jvm h ALA 31 Ca 0.73 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.60 1jvm h ALA 31 Cb 2.02 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 20.33 1jvm h ALA 31 CO -0.43 -0.96 -0.50 0.00 0.00 0.00 0.00 179.25 177.36 1jvm h ALA 32 N -1.14 -0.66 -0.70 0.00 0.00 -0.30 -0.16 119.26 116.31 1jvm h ALA 32 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jvm h ALA 32 Cb 0.49 1.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1jvm h ALA 32 CO -0.09 -0.93 -0.39 2.41 0.00 0.00 0.00 179.25 180.25 1jvm n THR 33 N -5.03 -0.46 0.03 0.00 -1.04 -0.82 -0.12 114.28 106.84 1jvm n THR 33 Ca -0.02 1.69 -0.02 0.00 -2.04 0.00 0.00 64.05 63.67 1jvm n THR 33 Cb 0.28 -2.12 -0.01 0.00 -1.82 0.00 0.00 70.33 66.66 1jvm n THR 33 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jvm h VAL 34 N 0.00 0.00 -0.79 12.58 2.07 0.04 -2.27 116.25 127.88 1jvm h VAL 34 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1jvm h VAL 34 Cb 0.31 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.98 1jvm h VAL 34 CO -0.67 0.00 -0.41 0.18 0.02 0.00 0.00 177.57 176.69 1jvm n LEU 35 N -2.51 -0.73 -0.09 2.57 4.77 -0.14 -0.07 117.00 120.80 1jvm n LEU 35 Ca -0.01 1.39 -0.08 0.00 -0.03 0.00 0.00 56.01 57.29 1jvm n LEU 35 Cb 0.04 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1jvm n LEU 35 CO 0.02 -1.17 0.66 0.25 -1.33 0.00 0.00 177.39 175.82 1jvm h LEU 36 N 0.00 -0.95 -1.17 2.23 5.85 -0.49 0.63 115.31 121.40 1jvm h LEU 36 Ca 0.17 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.19 1jvm h LEU 36 Cb 0.37 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1jvm h LEU 36 CO -0.75 -0.31 0.59 0.58 -0.34 0.00 0.00 178.44 178.21 1jvm h VAL 37 N -0.26 0.90 0.35 1.05 2.07 0.14 0.40 116.25 120.89 1jvm h VAL 37 Ca 0.16 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1jvm h VAL 37 Cb 0.51 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1jvm h VAL 37 CO -0.48 0.15 -0.17 0.40 0.02 0.00 0.00 177.57 177.50 1jvm h ILE 38 N 0.84 0.63 -0.97 4.57 2.04 0.90 -1.89 117.51 123.63 1jvm h ILE 38 Ca 0.45 -0.54 0.24 0.00 1.00 0.00 0.00 64.86 66.02 1jvm h ILE 38 Cb 0.56 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1jvm h ILE 38 CO -0.22 0.10 0.64 0.58 0.00 0.00 0.00 178.15 179.25 1jvm h VAL 39 N -0.79 0.60 0.39 1.67 2.07 0.15 2.13 116.25 122.47 1jvm h VAL 39 Ca -0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jvm h VAL 39 Cb 0.52 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1jvm h VAL 39 CO 0.08 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 40 N 0.35 -0.45 -0.62 2.57 3.38 -0.07 2.11 115.31 122.58 1jvm h LEU 40 Ca 0.52 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.60 1jvm h LEU 40 Cb 1.40 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.19 1jvm h LEU 40 CO -0.19 -0.24 0.21 -0.07 0.09 0.00 0.00 178.44 178.23 1jvm h LEU 41 N -0.68 0.17 0.22 1.67 3.38 -0.49 3.29 115.31 122.88 1jvm h LEU 41 Ca -0.05 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jvm h LEU 41 Cb 0.40 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1jvm h LEU 41 CO 0.09 0.10 -0.21 0.00 0.09 0.00 0.00 178.44 178.51 1jvm h ALA 42 N 1.44 -0.93 -0.72 1.53 0.00 0.35 0.13 119.26 121.06 1jvm h ALA 42 Ca 0.32 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1jvm h ALA 42 Cb 0.42 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1jvm h ALA 42 CO -0.34 -0.94 0.36 0.78 0.00 0.00 0.00 179.25 179.11 1jvm h GLY 43 N -0.43 1.08 0.00 0.00 0.00 0.43 0.61 103.07 104.76 1jvm h GLY 43 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jvm h GLY 43 CO -0.02 0.05 0.00 1.44 0.00 0.00 0.00 176.54 178.02 1jvm n SER 44 N -4.87 0.00 -0.24 0.19 7.64 1.09 0.12 113.62 117.55 1jvm n SER 44 Ca 0.11 0.81 0.14 0.00 1.01 0.00 0.00 58.87 60.94 1jvm n SER 44 Cb 0.28 -0.31 0.42 0.00 -1.01 0.00 0.00 64.21 63.59 1jvm n SER 44 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1jvm h TYR 45 N 0.00 0.71 0.46 1.43 3.20 -0.63 -2.18 116.97 119.96 1jvm h TYR 45 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1jvm h TYR 45 Cb 0.00 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1jvm h TYR 45 CO -0.15 0.25 -0.22 1.25 -1.64 0.00 0.00 178.16 177.65 1jvm h LEU 46 N 0.59 -0.52 -1.43 2.82 5.85 0.61 -3.30 115.31 119.94 1jvm h LEU 46 Ca 0.43 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1jvm h LEU 46 Cb 0.80 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1jvm h LEU 46 CO -0.18 -0.19 0.19 0.00 -0.34 0.00 0.00 178.44 177.92 1jvm h ALA 47 N -0.51 1.56 -0.14 1.25 0.00 0.13 -2.96 119.26 118.58 1jvm h ALA 47 Ca -0.06 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jvm h ALA 47 Cb 0.58 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1jvm h ALA 47 CO 0.10 0.36 -0.22 0.28 0.00 0.00 0.00 179.25 179.77 1jvm h VAL 48 N 0.58 0.45 0.00 0.00 2.07 -1.48 -1.19 116.25 116.67 1jvm h VAL 48 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1jvm h VAL 48 Cb 0.08 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1jvm h VAL 48 CO -0.02 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.46 1jvm h LEU 49 N -0.28 0.00 0.00 2.57 3.38 -1.63 0.41 115.31 119.77 1jvm h LEU 49 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jvm h LEU 49 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jvm h LEU 49 CO -0.30 0.04 -0.43 0.00 0.09 0.00 0.00 178.44 177.84 1jvm h ALA 50 N 1.96 0.78 0.00 1.53 0.00 -1.10 -3.40 119.26 119.02 1jvm h ALA 50 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jvm h ALA 50 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jvm h ALA 50 CO 0.01 0.37 -0.64 0.39 0.00 0.00 0.00 179.25 179.37 1jvm n GLU 51 N -3.11 0.34 -0.48 0.00 -0.58 -0.58 -4.60 120.64 111.63 1jvm n GLU 51 Ca 0.02 0.13 -0.19 0.00 -0.42 0.00 0.00 57.16 56.70 1jvm n GLU 51 Cb 0.65 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 30.42 1jvm n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1jvm n ARG 52 N -3.91 0.00 -0.62 3.49 0.63 0.14 -1.53 116.66 114.86 1jvm n ARG 52 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1jvm n ARG 52 Cb 0.33 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1jvm n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jvm n GLY 53 N 0.70 0.80 3.99 5.14 0.00 -1.26 -4.93 105.19 109.63 1jvm n GLY 53 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1jvm n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 54 N -3.16 4.50 0.34 4.61 0.00 -0.58 -5.07 121.76 122.38 1jvm s ALA 54 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 51.96 49.87 1jvm s ALA 54 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 1jvm s ALA 54 CO 0.00 -0.45 1.15 -2.14 0.00 0.00 0.00 175.76 174.31 1jvm s PRO 55 N -4.40 4.36 -1.91 0.00 0.02 -1.26 -3.20 135.00 128.61 1jvm s PRO 55 Ca 0.54 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1jvm s PRO 55 Cb -0.07 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1jvm s PRO 55 CO 0.33 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 1jvm n GLY 56 N 0.86 1.25 3.75 0.52 0.00 -1.26 -4.94 105.19 105.37 1jvm n GLY 56 Ca 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1jvm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 57 N -2.76 3.41 0.00 4.61 0.00 -1.20 -4.82 121.76 121.00 1jvm s ALA 57 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1jvm s ALA 57 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1jvm s ALA 57 CO 0.00 -0.26 0.00 1.04 0.00 0.00 0.00 175.76 176.54 1jvm n GLN 58 N 1.82 2.26 -1.43 0.00 6.02 -1.26 -4.73 117.38 120.05 1jvm n GLN 58 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 1jvm n GLN 58 Cb 0.45 -0.84 -0.07 0.00 1.02 0.00 0.00 30.24 30.80 1jvm n GLN 58 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jvm n LEU 59 N -1.22 7.02 -0.01 1.08 4.77 -1.26 -4.55 117.00 122.83 1jvm n LEU 59 Ca 0.00 -4.07 -0.01 0.00 -0.03 0.00 0.00 56.01 51.90 1jvm n LEU 59 Cb 0.14 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 39.84 1jvm n LEU 59 CO 0.00 1.88 0.03 0.40 -1.33 0.00 0.00 177.39 178.37 1jvm h ILE 60 N 2.36 0.00 -3.89 -0.08 2.04 -1.88 -3.31 117.51 112.76 1jvm h ILE 60 Ca 0.52 -0.70 -0.49 0.00 1.00 0.00 0.00 64.86 65.19 1jvm h ILE 60 Cb 0.75 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1jvm h ILE 60 CO 1.04 0.00 0.22 0.42 0.00 0.00 0.00 178.15 179.83 1jvm s THR 61 N -1.66 4.73 0.21 -0.27 -4.23 -1.26 -4.71 115.64 108.45 1jvm s THR 61 Ca -0.01 0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 1jvm s THR 61 Cb 0.00 -3.77 0.10 0.00 1.34 0.00 0.00 72.50 70.17 1jvm s THR 61 CO 0.03 -0.69 1.70 0.10 -0.54 0.00 0.00 174.62 175.22 1jvm h TYR 62 N 0.82 1.10 -0.54 3.99 -0.00 -1.95 -2.70 116.97 117.69 1jvm h TYR 62 Ca -0.47 -0.16 0.00 0.00 -0.00 0.00 0.00 58.73 58.11 1jvm h TYR 62 Cb 1.19 -0.30 -0.03 0.00 -0.00 0.00 0.00 36.73 37.59 1jvm h TYR 62 CO 0.62 0.94 0.36 -1.35 -0.00 0.00 0.00 178.16 178.73 1jvm h PRO 63 N 0.96 0.71 0.59 0.10 0.11 -1.98 0.37 132.00 132.86 1jvm h PRO 63 Ca 0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1jvm h PRO 63 Cb 0.47 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1jvm h PRO 63 CO 0.02 0.48 -0.29 0.00 -0.21 0.00 0.00 178.00 178.00 1jvm h ARG 64 N 0.74 -0.77 -0.89 1.05 3.08 -1.92 -2.96 114.38 112.70 1jvm h ARG 64 Ca 0.20 0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.53 1jvm h ARG 64 Cb -0.08 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.02 1jvm h ARG 64 CO -0.04 -0.47 0.37 0.00 -1.07 0.00 0.00 179.97 178.75 1jvm h ALA 65 N -1.03 1.42 0.00 0.04 0.00 -1.15 0.67 119.26 119.21 1jvm h ALA 65 Ca -0.08 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jvm h ALA 65 Cb 0.65 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1jvm h ALA 65 CO 0.13 -0.37 -0.43 1.25 0.00 0.00 0.00 179.25 179.83 1jvm h LEU 66 N 0.36 -1.29 -0.01 0.00 5.85 -0.93 -0.31 115.31 118.98 1jvm h LEU 66 Ca 0.56 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.46 1jvm h LEU 66 Cb 1.09 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 1jvm h LEU 66 CO -0.55 -0.46 -0.50 -0.25 -0.34 0.00 0.00 178.44 176.34 1jvm h TRP 67 N -0.58 -1.45 -0.94 1.25 -0.00 -0.75 -2.07 115.95 111.40 1jvm h TRP 67 Ca 0.04 0.05 0.16 0.00 -0.00 0.00 0.00 58.89 59.15 1jvm h TRP 67 Cb 0.66 0.64 -0.16 0.00 -0.00 0.00 0.00 29.16 30.29 1jvm h TRP 67 CO -0.43 -0.55 -0.32 2.35 -0.00 0.00 0.00 178.44 179.49 1jvm h TRP 68 N -0.63 -0.84 -0.74 2.65 7.01 -0.67 0.29 115.95 123.01 1jvm h TRP 68 Ca 0.03 0.09 0.15 0.00 2.11 0.00 0.00 58.89 61.28 1jvm h TRP 68 Cb 0.70 0.51 -0.10 0.00 -2.10 0.00 0.00 29.16 28.17 1jvm h TRP 68 CO -0.49 -0.40 0.23 0.77 -2.79 0.00 0.00 178.44 175.76 1jvm h SER 69 N -0.02 0.13 0.77 2.65 0.02 -0.35 0.69 113.55 117.45 1jvm h SER 69 Ca 0.38 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1jvm h SER 69 Cb 0.63 0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1jvm h SER 69 CO -0.96 0.02 -0.38 0.58 -1.14 0.00 0.00 176.83 174.95 1jvm h VAL 70 N 0.34 0.22 -0.17 2.27 2.07 -0.31 0.41 116.25 121.09 1jvm h VAL 70 Ca 0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.99 1jvm h VAL 70 Cb 0.68 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1jvm h VAL 70 CO -0.46 0.00 0.27 -0.08 0.02 0.00 0.00 177.57 177.32 1jvm h GLU 71 N -1.05 0.00 0.02 1.57 4.81 0.33 -2.03 114.58 118.23 1jvm h GLU 71 Ca -0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.81 1jvm h GLU 71 Cb 0.81 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1jvm h GLU 71 CO 0.17 0.00 -1.72 2.41 -0.73 0.00 0.00 179.01 179.14 1jvm n THR 72 N -3.47 1.58 0.32 0.32 -1.04 0.23 -1.65 114.28 110.56 1jvm n THR 72 Ca 0.01 -0.24 0.15 0.00 -2.04 0.00 0.00 64.05 61.93 1jvm n THR 72 Cb 0.38 -1.92 0.66 0.00 -1.82 0.00 0.00 70.33 67.63 1jvm n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvm h ALA 73 N -0.46 1.00 -0.01 2.41 0.00 0.15 -0.28 119.26 122.08 1jvm h ALA 73 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jvm h ALA 73 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jvm h ALA 73 CO -0.19 0.00 -0.62 0.25 0.00 0.00 0.00 179.25 178.69 1jvm n THR 74 N -2.61 0.00 -1.47 0.00 -2.24 -0.80 -3.91 114.28 103.25 1jvm n THR 74 Ca 0.00 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1jvm n THR 74 Cb 0.20 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1jvm n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvm n THR 75 N -0.53 0.00 0.24 4.28 -2.24 -0.12 -4.80 114.28 111.11 1jvm n THR 75 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1jvm n THR 75 Cb 0.40 -1.63 0.58 0.00 -2.10 0.00 0.00 70.33 67.58 1jvm n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jvm h VAL 76 N 0.00 1.00 -6.91 2.28 2.07 -1.72 -3.46 116.25 109.51 1jvm h VAL 76 Ca -0.34 -0.48 -0.58 0.00 0.82 0.00 0.00 66.70 66.12 1jvm h VAL 76 Cb 1.14 1.26 -0.33 0.00 -1.52 0.00 0.00 31.29 31.84 1jvm h VAL 76 CO 0.49 0.13 -0.85 0.61 0.02 0.00 0.00 177.57 177.97 1jvm n GLY 77 N -1.08 -0.32 0.63 2.17 0.00 -0.66 -4.76 105.19 101.18 1jvm n GLY 77 Ca -0.02 0.09 0.42 0.00 0.00 0.00 0.00 46.02 46.50 1jvm n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jvm h TYR 78 N -0.96 0.00 -0.62 1.61 0.99 -1.90 -3.44 116.97 112.65 1jvm h TYR 78 Ca -0.57 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.06 1jvm h TYR 78 Cb 1.29 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.01 1jvm h TYR 78 CO 0.62 0.00 -0.12 0.41 -0.00 0.00 0.00 178.16 179.07 1jvm n GLY 79 N -1.83 0.29 0.02 3.88 0.00 -1.26 -4.91 105.19 101.38 1jvm n GLY 79 Ca 0.35 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1jvm n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jvm n ASP 80 N 1.07 0.58 -3.73 1.61 5.75 -1.26 -4.84 116.55 115.72 1jvm n ASP 80 Ca -0.06 -0.22 -0.12 0.00 -0.01 0.00 0.00 54.79 54.38 1jvm n ASP 80 Cb 0.47 0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.79 1jvm n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jvm s LEU 81 N -3.33 0.40 0.14 -2.12 1.43 -1.26 -5.05 118.68 108.89 1jvm s LEU 81 Ca 0.09 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 53.69 1jvm s LEU 81 Cb 0.16 1.21 0.07 0.00 0.03 0.00 0.00 46.19 47.66 1jvm s LEU 81 CO 0.73 -0.15 0.88 -0.72 0.23 0.00 0.00 176.35 177.31 1jvm s TYR 82 N 0.65 -0.23 0.44 0.29 -0.85 -1.26 -4.98 117.35 111.40 1jvm s TYR 82 Ca -0.04 -0.06 -0.16 0.00 -0.52 0.00 0.00 57.07 56.29 1jvm s TYR 82 Cb -0.05 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 42.82 1jvm s TYR 82 CO -0.04 -0.82 0.89 -1.25 -1.52 0.00 0.00 175.55 172.81 1jvm s PRO 83 N -3.38 4.01 0.00 -3.49 0.04 -1.26 -4.61 135.00 126.31 1jvm s PRO 83 Ca 0.09 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1jvm s PRO 83 Cb -0.02 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1jvm s PRO 83 CO -0.01 -0.09 0.01 0.28 0.04 0.00 0.00 177.00 177.23 1jvm n VAL 84 N -1.06 0.00 -3.59 -0.36 0.31 -1.26 -4.88 118.33 107.50 1jvm n VAL 84 Ca 0.05 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.81 1jvm n VAL 84 Cb 0.54 1.02 -0.06 0.00 -0.91 0.00 0.00 33.84 34.43 1jvm n VAL 84 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jvm s THR 85 N -0.39 5.13 0.61 2.52 -4.23 -1.26 -4.95 115.64 113.06 1jvm s THR 85 Ca 0.00 0.68 0.28 0.00 -1.18 0.00 0.00 61.69 61.47 1jvm s THR 85 Cb 0.00 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.56 1jvm s THR 85 CO 0.00 0.57 1.86 0.17 -0.54 0.00 0.00 174.62 176.68 1jvm h LEU 86 N 4.70 0.00 0.00 4.79 -0.00 -1.96 -1.21 115.31 121.62 1jvm h LEU 86 Ca -0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.26 1jvm h LEU 86 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 1jvm h LEU 86 CO 0.61 0.00 -0.60 -0.50 -0.00 0.00 0.00 178.44 177.95 1jvm h TRP 87 N 0.00 0.00 -0.92 0.17 4.06 -1.92 -3.34 115.95 113.99 1jvm h TRP 87 Ca 0.18 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.38 1jvm h TRP 87 Cb 1.15 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.26 1jvm h TRP 87 CO 0.00 1.04 0.64 0.78 -3.56 0.00 0.00 178.44 177.34 1jvm h GLY 88 N -1.00 0.37 2.00 1.49 0.00 -1.55 0.81 103.07 105.19 1jvm h GLY 88 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1jvm h GLY 88 CO -0.09 -0.02 0.00 3.21 0.00 0.00 0.00 176.54 179.64 1jvm h ARG 89 N 0.15 0.00 0.06 4.80 3.08 -1.39 -1.74 114.38 119.34 1jvm h ARG 89 Ca 0.46 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.32 1jvm h ARG 89 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1jvm h ARG 89 CO -0.08 0.00 -0.98 0.00 -1.07 0.00 0.00 179.97 177.83 1jvm h VAL 91 N -0.68 0.58 0.03 0.00 2.07 -1.20 -1.61 116.25 115.44 1jvm h VAL 91 Ca -0.23 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jvm h VAL 91 Cb 1.44 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1jvm h VAL 91 CO -0.03 0.04 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 1jvm h ALA 92 N 1.58 -0.79 -0.84 1.67 0.00 -1.28 -2.32 119.26 117.27 1jvm h ALA 92 Ca 0.49 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.63 1jvm h ALA 92 Cb 1.52 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.17 1jvm h ALA 92 CO -0.13 -0.79 0.03 0.28 0.00 0.00 0.00 179.25 178.64 1jvm n VAL 93 N -2.14 -0.35 0.21 0.00 0.31 -0.71 0.11 118.33 115.77 1jvm n VAL 93 Ca -0.01 1.85 -0.15 0.00 -0.01 0.00 0.00 64.34 66.03 1jvm n VAL 93 Cb 0.02 -2.71 -0.08 0.00 -0.91 0.00 0.00 33.84 30.15 1jvm n VAL 93 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvm h VAL 94 N 0.00 0.65 -0.27 2.52 2.07 -1.34 -1.67 116.25 118.21 1jvm h VAL 94 Ca 0.52 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 68.08 1jvm h VAL 94 Cb 1.08 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1jvm h VAL 94 CO -0.79 0.00 -0.16 0.58 0.02 0.00 0.00 177.57 177.23 1jvm h VAL 95 N -0.49 0.54 0.02 2.57 2.07 0.14 0.13 116.25 121.23 1jvm h VAL 95 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jvm h VAL 95 Cb 0.38 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1jvm h VAL 95 CO 0.08 0.00 -0.03 0.24 0.02 0.00 0.00 177.57 177.89 1jvm h MET 96 N -0.13 -0.05 -1.13 1.57 2.07 -0.83 -1.35 114.93 115.07 1jvm h MET 96 Ca 0.14 0.00 0.34 0.00 -2.07 0.00 0.00 59.70 58.11 1jvm h MET 96 Cb 0.35 0.01 -0.11 0.00 -1.87 0.00 0.00 31.60 29.98 1jvm h MET 96 CO -0.35 -0.03 0.72 0.28 1.07 0.00 0.00 176.91 178.60 1jvm h VAL 97 N -0.05 0.35 0.70 -2.22 2.07 -1.25 0.18 116.25 116.03 1jvm h VAL 97 Ca -0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1jvm h VAL 97 Cb 0.04 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1jvm h VAL 97 CO -0.00 0.05 -0.50 0.00 0.02 0.00 0.00 177.57 177.14 1jvm h ALA 98 N 1.65 -1.23 0.23 1.67 0.00 -0.46 0.11 119.26 121.23 1jvm h ALA 98 Ca 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1jvm h ALA 98 Cb 1.92 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 20.35 1jvm h ALA 98 CO -0.39 -1.22 -0.15 0.78 0.00 0.00 0.00 179.25 178.28 1jvm h GLY 99 N -1.15 -0.37 -0.27 0.00 0.00 0.30 0.36 103.07 101.94 1jvm h GLY 99 Ca -0.09 0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.51 1jvm h GLY 99 CO 0.05 -0.15 -0.23 -2.22 0.00 0.00 0.00 176.54 173.99 1jvm h ILE 100 N -0.37 0.30 0.75 2.60 2.04 -0.73 0.02 117.51 122.13 1jvm h ILE 100 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jvm h ILE 100 Cb 0.31 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1jvm h ILE 100 CO 0.02 0.00 -0.44 0.74 0.00 0.00 0.00 178.15 178.47 1jvm h THR 101 N -0.09 0.11 -0.41 -0.27 2.02 -0.47 0.53 112.91 114.35 1jvm h THR 101 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.52 1jvm h THR 101 Cb 0.50 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 1jvm h THR 101 CO -0.63 0.00 -0.34 0.28 0.37 0.00 0.00 175.52 175.20 1jvm h SER 102 N -1.11 -1.12 -0.24 4.18 0.02 0.39 0.21 113.55 115.88 1jvm h SER 102 Ca -0.10 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1jvm h SER 102 Cb 0.89 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 1jvm h SER 102 CO 0.12 -0.32 0.08 -0.26 -1.14 0.00 0.00 176.83 175.30 1jvm h PHE 103 N -0.26 0.38 -0.78 3.45 -1.00 -1.02 -1.64 116.94 116.08 1jvm h PHE 103 Ca 0.17 -0.04 0.21 0.00 2.81 0.00 0.00 57.97 61.13 1jvm h PHE 103 Cb 0.54 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 1jvm h PHE 103 CO -0.55 0.43 0.55 0.78 -1.61 0.00 0.00 178.31 177.91 1jvm h GLY 104 N 0.22 0.14 0.59 -1.45 0.00 -0.15 0.97 103.07 103.39 1jvm h GLY 104 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1jvm h GLY 104 CO -0.00 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 174.34 1jvm h LEU 105 N 0.07 -0.47 -2.13 3.11 5.85 0.23 -2.35 115.31 119.61 1jvm h LEU 105 Ca 0.37 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1jvm h LEU 105 Cb 1.39 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1jvm h LEU 105 CO -0.03 -0.07 0.25 0.58 -0.34 0.00 0.00 178.44 178.83 1jvm h VAL 106 N -0.97 0.54 -0.13 1.05 2.07 -0.28 0.98 116.25 119.51 1jvm h VAL 106 Ca -0.06 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 1jvm h VAL 106 Cb 0.55 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jvm h VAL 106 CO 0.09 0.00 -0.57 0.74 0.02 0.00 0.00 177.57 177.85 1jvm h THR 107 N 0.00 1.35 -0.05 2.57 2.02 -0.76 -2.24 112.91 115.79 1jvm h THR 107 Ca 0.13 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 1jvm h THR 107 Cb 0.63 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1jvm h THR 107 CO -0.00 0.57 0.01 0.00 0.37 0.00 0.00 175.52 176.46 1jvm h ALA 108 N 1.09 0.07 -0.61 6.16 0.00 0.15 -2.62 119.26 123.50 1jvm h ALA 108 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jvm h ALA 108 Cb 1.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1jvm h ALA 108 CO 0.10 -0.27 0.40 0.00 0.00 0.00 0.00 179.25 179.47 1jvm h ALA 109 N 0.75 0.78 -0.77 0.00 0.00 -1.12 0.84 119.26 119.73 1jvm h ALA 109 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 109 Cb 0.30 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1jvm h ALA 109 CO 0.00 0.18 0.42 -0.07 0.00 0.00 0.00 179.25 179.78 1jvm h LEU 110 N 0.80 0.58 0.16 0.00 3.38 -1.37 -2.07 115.31 116.80 1jvm h LEU 110 Ca 0.23 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1jvm h LEU 110 Cb -0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jvm h LEU 110 CO -0.06 0.33 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 1jvm h ALA 111 N 1.44 -0.21 -0.10 1.53 0.00 -1.02 -2.90 119.26 118.00 1jvm h ALA 111 Ca 0.38 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jvm h ALA 111 Cb 0.37 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jvm h ALA 111 CO -0.26 -0.28 0.34 0.00 0.00 0.00 0.00 179.25 179.05 1jvm h THR 112 N -0.88 0.11 0.23 0.00 1.03 -0.78 0.65 112.91 113.25 1jvm h THR 112 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.06 1jvm h THR 112 Cb 0.52 0.68 0.04 0.00 -1.07 0.00 0.00 68.15 68.32 1jvm h THR 112 CO 0.04 0.00 -1.39 -0.25 -0.01 0.00 0.00 175.52 173.90 1jvm h TRP 113 N 0.00 0.96 -0.34 0.00 7.01 -1.40 -3.13 115.95 119.06 1jvm h TRP 113 Ca 0.05 -0.69 -0.03 0.00 2.11 0.00 0.00 58.89 60.33 1jvm h TRP 113 Cb 0.72 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 1jvm h TRP 113 CO 0.00 1.53 0.10 0.74 -2.79 0.00 0.00 178.44 178.02 1jvm h PHE 114 N 0.12 0.49 -0.01 2.65 0.05 0.49 0.33 116.94 121.06 1jvm h PHE 114 Ca -0.24 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.53 1jvm h PHE 114 Cb 2.09 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 39.89 1jvm h PHE 114 CO 0.13 0.42 0.00 0.28 -0.18 0.00 0.00 178.31 178.96 1jvm n VAL 115 N -4.37 0.01 0.02 -0.55 0.31 -0.76 -2.20 118.33 110.80 1jvm n VAL 115 Ca 0.02 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1jvm n VAL 115 Cb 0.16 -0.31 -0.14 0.00 -0.91 0.00 0.00 33.84 32.65 1jvm n VAL 115 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1jvm h GLY 116 N 5.06 0.11 -2.17 2.92 0.00 -0.28 -3.15 103.07 105.56 1jvm h GLY 116 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jvm h GLY 116 CO 0.00 0.25 0.00 -0.96 0.00 0.00 0.00 176.54 175.83 1jvm n ARG 117 N -3.26 2.57 -0.05 4.80 1.85 -1.12 -2.60 116.66 118.85 1jvm n ARG 117 Ca -0.15 -2.34 -0.02 0.00 -1.00 0.00 0.00 57.85 54.35 1jvm n ARG 117 Cb 1.03 -1.47 -0.15 0.00 -1.05 0.00 0.00 32.46 30.82 1jvm n ARG 117 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1jvm n GLU 118 N 1.30 0.67 0.00 2.89 0.28 -0.93 -3.98 120.64 120.86 1jvm n GLU 118 Ca 0.19 -0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.24 1jvm n GLU 118 Cb 0.56 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 1jvm n GLU 118 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jvm n GLN 119 N -2.61 1.61 0.09 3.44 1.13 -1.19 -3.59 117.38 116.25 1jvm n GLN 119 Ca -0.20 -0.51 -0.04 0.00 -1.94 0.00 0.00 57.00 54.31 1jvm n GLN 119 Cb 0.92 -1.29 -0.06 0.00 0.11 0.00 0.00 30.24 29.92 1jvm n GLN 119 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1jvm h GLU 120 N 1.15 0.00 0.00 -1.09 4.81 -1.64 -1.85 114.58 115.96 1jvm h GLU 120 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1jvm h GLU 120 Cb 0.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1jvm h GLU 120 CO 0.00 0.82 -1.30 0.54 -0.73 0.00 0.00 179.01 178.33 1jvm n ARG 121 N -3.32 0.55 0.12 1.92 1.74 -1.26 -4.60 116.66 111.81 1jvm n ARG 121 Ca 0.01 0.51 -0.06 0.00 -0.77 0.00 0.00 57.85 57.54 1jvm n ARG 121 Cb 0.86 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 1jvm n ARG 121 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1jvm h ARG 122 N -1.00 -0.33 0.00 5.56 -0.00 -1.70 -3.52 114.38 113.39 1jvm h ARG 122 Ca -0.32 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.68 1jvm h ARG 122 Cb 1.19 0.08 0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1jvm h ARG 122 CO -0.20 -0.22 0.00 0.41 -0.00 0.00 0.00 179.97 179.96