#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 0.10 0.58 -1.77 1.44 -1.26 -3.37 115.22 110.95 1jvm n HIS 25 Ca 0.00 0.03 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 1jvm n HIS 25 Cb 0.00 -0.30 0.35 0.00 0.12 0.00 0.00 29.99 30.16 1jvm n HIS 25 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 1jvm h TRP 26 N 0.00 0.00 0.00 -1.40 4.06 -2.00 -2.26 115.95 114.35 1jvm h TRP 26 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1jvm h TRP 26 Cb 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1jvm h TRP 26 CO 0.00 0.00 -0.13 0.00 -3.56 0.00 0.00 178.44 174.75 1jvm h ARG 27 N 0.00 0.00 0.13 0.49 3.08 -2.01 -1.77 114.38 114.31 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 0.76 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.83 1jvm h ARG 27 CO 0.00 0.13 -1.25 0.00 -1.07 0.00 0.00 179.97 177.79 1jvm h ALA 28 N 1.87 0.05 0.16 0.04 0.00 -1.58 -3.17 119.26 116.63 1jvm h ALA 28 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jvm h ALA 28 Cb 0.54 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jvm h ALA 28 CO 0.02 0.79 -0.17 0.00 0.00 0.00 0.00 179.25 179.89 1jvm h ALA 29 N 0.41 -0.87 -1.14 0.00 0.00 -1.28 -1.88 119.26 114.51 1jvm h ALA 29 Ca -0.17 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.03 1jvm h ALA 29 Cb 1.93 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 20.03 1jvm h ALA 29 CO 0.23 -0.88 0.71 0.78 0.00 0.00 0.00 179.25 180.09 1jvm h GLY 30 N -0.33 1.49 0.21 0.00 0.00 -1.62 0.21 103.07 103.03 1jvm h GLY 30 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1jvm h GLY 30 CO -0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 176.54 175.85 1jvm h ALA 31 N 1.68 -0.93 -0.49 3.60 0.00 -1.33 -1.44 119.26 120.35 1jvm h ALA 31 Ca 0.72 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.59 1jvm h ALA 31 Cb 1.97 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 20.32 1jvm h ALA 31 CO -0.43 -0.97 -0.49 0.00 0.00 0.00 0.00 179.25 177.36 1jvm h ALA 32 N -1.10 -0.65 -0.70 0.00 0.00 -0.33 -0.30 119.26 116.19 1jvm h ALA 32 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 32 Cb 0.51 1.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 1jvm h ALA 32 CO -0.10 -0.92 -0.38 2.41 0.00 0.00 0.00 179.25 180.26 1jvm n THR 33 N -4.98 -0.45 0.02 0.00 -1.04 -0.83 -0.07 114.28 106.93 1jvm n THR 33 Ca -0.02 1.68 -0.01 0.00 -2.04 0.00 0.00 64.05 63.66 1jvm n THR 33 Cb 0.27 -2.10 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 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 -0.02 -2.23 116.25 127.86 1jvm h VAL 34 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1jvm h VAL 34 Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 1jvm h VAL 34 CO -0.66 0.00 -0.40 0.18 0.02 0.00 0.00 177.57 176.70 1jvm n LEU 35 N -2.42 -0.71 -0.07 2.57 4.77 -0.10 -0.05 117.00 120.98 1jvm n LEU 35 Ca -0.01 1.39 -0.08 0.00 -0.03 0.00 0.00 56.01 57.28 1jvm n LEU 35 Cb 0.03 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1jvm n LEU 35 CO 0.02 -1.17 0.66 0.25 -1.33 0.00 0.00 177.39 175.81 1jvm h LEU 36 N 0.00 -0.96 -1.19 2.23 5.85 -0.44 0.62 115.31 121.42 1jvm h LEU 36 Ca 0.18 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.20 1jvm h LEU 36 Cb 0.38 0.44 -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 0.00 178.44 178.20 1jvm h VAL 37 N -0.28 0.88 0.33 1.05 2.07 0.17 0.42 116.25 120.89 1jvm h VAL 37 Ca 0.15 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1jvm h VAL 37 Cb 0.51 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1jvm h VAL 37 CO -0.45 0.15 -0.16 0.40 0.02 0.00 0.00 177.57 177.52 1jvm h ILE 38 N 0.81 0.65 -0.97 4.57 2.04 0.78 -1.89 117.51 123.51 1jvm h ILE 38 Ca 0.46 -0.56 0.24 0.00 1.00 0.00 0.00 64.86 65.99 1jvm h ILE 38 Cb 0.61 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 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 -0.78 0.60 0.39 1.67 2.07 0.16 2.08 116.25 122.45 1jvm h VAL 39 Ca -0.05 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jvm h VAL 39 Cb 0.51 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1jvm h VAL 39 CO 0.07 0.07 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 40 N 0.37 -0.45 -0.60 2.57 3.38 -0.04 2.22 115.31 122.76 1jvm h LEU 40 Ca 0.52 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.61 1jvm h LEU 40 Cb 1.37 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.16 1jvm h LEU 40 CO -0.21 -0.25 0.18 -0.07 0.09 0.00 0.00 178.44 178.19 1jvm h LEU 41 N -0.67 0.13 0.21 1.67 3.38 -0.49 3.16 115.31 122.69 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 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jvm h LEU 41 CO 0.09 0.08 -0.20 0.00 0.09 0.00 0.00 178.44 178.49 1jvm h ALA 42 N 1.45 -0.92 -0.69 1.53 0.00 0.34 0.15 119.26 121.11 1jvm h ALA 42 Ca 0.31 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1jvm h ALA 42 Cb 0.42 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1jvm h ALA 42 CO -0.35 -0.93 0.33 0.78 0.00 0.00 0.00 179.25 179.08 1jvm h GLY 43 N -0.40 1.03 0.00 0.00 0.00 0.45 0.58 103.07 104.72 1jvm h GLY 43 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1jvm h GLY 43 CO -0.02 0.04 0.00 1.44 0.00 0.00 0.00 176.54 178.00 1jvm n SER 44 N -4.89 0.00 -0.23 0.19 7.64 1.05 0.12 113.62 117.49 1jvm n SER 44 Ca 0.11 0.83 0.13 0.00 1.01 0.00 0.00 58.87 60.95 1jvm n SER 44 Cb 0.28 -0.33 0.42 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.70 0.47 1.43 3.20 -0.61 -2.19 116.97 119.97 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 38.06 1jvm h TYR 45 CO -0.18 0.26 -0.23 1.25 -1.64 0.00 0.00 178.16 177.63 1jvm h LEU 46 N 0.59 -0.53 -1.43 2.82 5.85 0.59 -3.30 115.31 119.90 1jvm h LEU 46 Ca 0.42 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1jvm h LEU 46 Cb 0.77 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1jvm h LEU 46 CO -0.17 -0.19 0.21 0.00 -0.34 0.00 0.00 178.44 177.94 1jvm h ALA 47 N -0.55 1.56 -0.14 1.25 0.00 0.13 -2.97 119.26 118.54 1jvm h ALA 47 Ca -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jvm h ALA 47 Cb 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1jvm h ALA 47 CO 0.11 0.36 -0.23 0.28 0.00 0.00 0.00 179.25 179.76 1jvm h VAL 48 N 0.59 0.44 0.00 0.00 2.07 -1.48 -1.14 116.25 116.73 1jvm h VAL 48 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1jvm h VAL 48 Cb 0.06 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1jvm h VAL 48 CO -0.02 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.48 1jvm h LEU 49 N -0.28 0.00 0.00 2.57 3.38 -1.62 0.43 115.31 119.78 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 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jvm h LEU 49 CO -0.31 0.02 -0.49 0.00 0.09 0.00 0.00 178.44 177.75 1jvm h ALA 50 N 1.98 0.76 0.00 1.53 0.00 -1.10 -3.40 119.26 119.03 1jvm h ALA 50 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jvm h ALA 50 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jvm h ALA 50 CO 0.00 0.37 -0.63 0.39 0.00 0.00 0.00 179.25 179.38 1jvm n GLU 51 N -3.08 0.33 -0.47 0.00 -0.58 -0.56 -4.61 120.64 111.68 1jvm n GLU 51 Ca 0.01 0.13 -0.18 0.00 -0.42 0.00 0.00 57.16 56.70 1jvm n GLU 51 Cb 0.65 -1.06 -0.03 0.00 -0.57 0.00 0.00 31.44 30.44 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 -3.87 0.00 -0.62 3.49 0.63 0.15 -1.56 116.66 114.88 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 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.79 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 0.67 0.80 3.98 5.14 0.00 -1.26 -4.93 105.19 109.59 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 -3.13 4.47 0.34 4.61 0.00 -0.60 -5.07 121.76 122.39 1jvm s ALA 54 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 1jvm s ALA 54 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1jvm s ALA 54 CO 0.00 -0.43 1.15 -2.14 0.00 0.00 0.00 175.76 174.34 1jvm s PRO 55 N -4.38 4.34 -1.72 0.00 0.02 -1.26 -2.96 135.00 129.04 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 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1jvm s PRO 55 CO 0.33 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 1jvm n GLY 56 N 0.83 1.56 3.73 0.52 0.00 -1.26 -4.89 105.19 105.69 1jvm n GLY 56 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.43 3.79 -0.02 4.61 0.00 -1.15 -4.83 121.76 121.72 1jvm s ALA 57 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.44 1jvm s ALA 57 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1jvm s ALA 57 CO 0.00 -0.87 -0.01 1.04 0.00 0.00 0.00 175.76 175.92 1jvm n GLN 58 N 3.22 1.18 -1.51 0.00 1.13 -1.26 -4.73 117.38 115.41 1jvm n GLN 58 Ca 0.12 0.01 -0.40 0.00 -1.94 0.00 0.00 57.00 54.79 1jvm n GLN 58 Cb 0.38 -1.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.66 1jvm n GLN 58 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1jvm n LEU 59 N -2.42 8.27 -0.04 1.08 4.77 -1.26 -4.56 117.00 122.84 1jvm n LEU 59 Ca -0.04 -4.40 -0.00 0.00 -0.03 0.00 0.00 56.01 51.53 1jvm n LEU 59 Cb 0.55 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1jvm n LEU 59 CO 0.03 1.87 -0.02 0.40 -1.33 0.00 0.00 177.39 178.34 1jvm h ILE 60 N 3.16 0.00 -3.86 -0.08 2.04 -1.88 -3.25 117.51 113.64 1jvm h ILE 60 Ca 0.78 -0.74 -0.49 0.00 1.00 0.00 0.00 64.86 65.41 1jvm h ILE 60 Cb 0.36 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1jvm h ILE 60 CO 1.76 0.00 0.21 0.42 0.00 0.00 0.00 178.15 180.54 1jvm s THR 61 N -1.45 4.74 0.20 -0.27 -4.23 -1.26 -4.71 115.64 108.66 1jvm s THR 61 Ca -0.01 0.73 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1jvm s THR 61 Cb 0.00 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.18 1jvm s THR 61 CO 0.01 -0.67 1.70 0.10 -0.54 0.00 0.00 174.62 175.22 1jvm h TYR 62 N 0.87 1.13 -0.53 3.99 -0.00 -1.95 -2.68 116.97 117.80 1jvm h TYR 62 Ca -0.47 -0.16 0.01 0.00 -0.00 0.00 0.00 58.73 58.11 1jvm h TYR 62 Cb 1.19 -0.31 -0.03 0.00 -0.00 0.00 0.00 36.73 37.59 1jvm h TYR 62 CO 0.62 0.96 0.35 -1.35 -0.00 0.00 0.00 178.16 178.74 1jvm h PRO 63 N 0.99 0.70 0.62 0.10 0.11 -1.98 0.27 132.00 132.80 1jvm h PRO 63 Ca 0.19 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1jvm h PRO 63 Cb 0.46 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1jvm h PRO 63 CO 0.02 0.46 -0.30 0.00 -0.21 0.00 0.00 178.00 177.97 1jvm h ARG 64 N 0.72 -0.80 -0.90 1.05 3.08 -1.93 -2.96 114.38 112.64 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 -0.07 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.03 1jvm h ARG 64 CO -0.04 -0.51 0.37 0.00 -1.07 0.00 0.00 179.97 178.71 1jvm h ALA 65 N -1.10 1.44 0.02 0.04 0.00 -1.13 0.71 119.26 119.23 1jvm h ALA 65 Ca -0.08 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jvm h ALA 65 Cb 0.66 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1jvm h ALA 65 CO 0.14 -0.40 -0.41 1.25 0.00 0.00 0.00 179.25 179.83 1jvm h LEU 66 N 0.34 -1.25 0.00 0.00 5.85 -0.95 -0.26 115.31 119.04 1jvm h LEU 66 Ca 0.57 0.15 0.02 0.00 0.84 0.00 0.00 57.88 59.47 1jvm h LEU 66 Cb 1.13 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 1jvm h LEU 66 CO -0.57 -0.46 -0.51 -0.25 -0.34 0.00 0.00 178.44 176.31 1jvm h TRP 67 N -0.58 -1.48 -0.95 1.25 -0.00 -0.75 -2.17 115.95 111.28 1jvm h TRP 67 Ca 0.04 0.05 0.16 0.00 -0.00 0.00 0.00 58.89 59.14 1jvm h TRP 67 Cb 0.65 0.64 -0.16 0.00 -0.00 0.00 0.00 29.16 30.29 1jvm h TRP 67 CO -0.41 -0.56 -0.33 2.35 -0.00 0.00 0.00 178.44 179.49 1jvm h TRP 68 N -0.65 -0.88 -0.73 2.65 7.01 -0.69 0.27 115.95 122.92 1jvm h TRP 68 Ca 0.02 0.10 0.15 0.00 2.11 0.00 0.00 58.89 61.27 1jvm h TRP 68 Cb 0.71 0.53 -0.10 0.00 -2.10 0.00 0.00 29.16 28.19 1jvm h TRP 68 CO -0.49 -0.41 0.21 0.77 -2.79 0.00 0.00 178.44 175.73 1jvm h SER 69 N -0.01 0.08 0.73 2.65 0.02 -0.40 0.70 113.55 117.32 1jvm h SER 69 Ca 0.38 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.43 1jvm h SER 69 Cb 0.63 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1jvm h SER 69 CO -0.97 -0.00 -0.38 0.58 -1.14 0.00 0.00 176.83 174.92 1jvm h VAL 70 N 0.31 0.22 -0.17 2.27 2.07 -0.34 0.37 116.25 120.98 1jvm h VAL 70 Ca 0.41 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.98 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 -0.48 0.00 0.27 -0.08 0.02 0.00 0.00 177.57 177.30 1jvm h GLU 71 N -1.02 0.00 0.02 1.57 4.81 0.25 -2.08 114.58 118.13 1jvm h GLU 71 Ca -0.10 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.83 1jvm h GLU 71 Cb 0.80 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1jvm h GLU 71 CO 0.14 0.00 -1.69 2.41 -0.73 0.00 0.00 179.01 179.14 1jvm n THR 72 N -3.50 1.58 0.32 0.32 -1.04 0.23 -1.72 114.28 110.47 1jvm n THR 72 Ca 0.02 -0.23 0.14 0.00 -2.04 0.00 0.00 64.05 61.93 1jvm n THR 72 Cb 0.38 -1.93 0.63 0.00 -1.82 0.00 0.00 70.33 67.60 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 0.04 -0.02 119.26 122.22 1jvm h ALA 73 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jvm h ALA 73 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jvm h ALA 73 CO -0.19 0.00 -0.61 0.25 0.00 0.00 0.00 179.25 178.70 1jvm n THR 74 N -2.55 0.00 -1.47 0.00 -2.24 -0.81 -3.91 114.28 103.30 1jvm n THR 74 Ca 0.01 -0.20 -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 -0.51 0.00 0.23 4.28 -2.24 -0.02 -4.81 114.28 111.22 1jvm n THR 75 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1jvm n THR 75 Cb 0.40 -1.61 0.55 0.00 -2.10 0.00 0.00 70.33 67.57 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 1.07 -7.00 2.28 2.07 -1.73 -3.46 116.25 109.48 1jvm h VAL 76 Ca -0.34 -0.48 -0.60 0.00 0.82 0.00 0.00 66.70 66.11 1jvm h VAL 76 Cb 1.11 1.26 -0.33 0.00 -1.52 0.00 0.00 31.29 31.81 1jvm h VAL 76 CO 0.49 0.14 -0.88 0.61 0.02 0.00 0.00 177.57 177.95 1jvm n GLY 77 N -1.12 -0.32 0.63 2.17 0.00 -0.70 -4.77 105.19 101.09 1jvm n GLY 77 Ca -0.03 0.09 0.43 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.00 0.00 -0.69 1.61 0.99 -1.90 -3.44 116.97 112.54 1jvm h TYR 78 Ca -0.58 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.04 1jvm h TYR 78 Cb 1.32 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.04 1jvm h TYR 78 CO 0.64 0.00 -0.13 0.41 -0.00 0.00 0.00 178.16 179.07 1jvm n GLY 79 N -1.84 0.26 0.01 3.88 0.00 -1.26 -4.91 105.19 101.34 1jvm n GLY 79 Ca 0.35 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.99 0.56 -3.73 1.61 5.75 -1.26 -4.84 116.55 115.63 1jvm n ASP 80 Ca -0.06 -0.21 -0.12 0.00 -0.01 0.00 0.00 54.79 54.38 1jvm n ASP 80 Cb 0.49 0.32 -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 -3.30 0.37 0.09 -2.12 1.43 -1.26 -5.06 118.68 108.82 1jvm s LEU 81 Ca 0.09 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.71 1jvm s LEU 81 Cb 0.16 1.27 0.08 0.00 0.03 0.00 0.00 46.19 47.74 1jvm s LEU 81 CO 0.72 -0.15 0.90 -0.72 0.23 0.00 0.00 176.35 177.33 1jvm s TYR 82 N 0.60 -0.24 0.44 0.29 -0.85 -1.26 -4.98 117.35 111.35 1jvm s TYR 82 Ca -0.03 0.01 -0.21 0.00 -0.52 0.00 0.00 57.07 56.32 1jvm s TYR 82 Cb -0.05 0.60 -0.11 0.00 0.38 0.00 0.00 41.96 42.78 1jvm s TYR 82 CO -0.04 -0.73 0.96 -1.25 -1.52 0.00 0.00 175.55 172.97 1jvm s PRO 83 N -3.27 4.18 0.00 -3.49 0.04 -1.26 -4.55 135.00 126.65 1jvm s PRO 83 Ca 0.09 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1jvm s PRO 83 Cb -0.01 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1jvm s PRO 83 CO -0.03 -0.07 0.01 0.28 0.04 0.00 0.00 177.00 177.23 1jvm n VAL 84 N -0.75 0.00 -3.57 -0.36 0.31 -1.26 -4.87 118.33 107.83 1jvm n VAL 84 Ca 0.07 -0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 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 -0.43 5.11 0.61 2.52 -4.23 -1.26 -4.95 115.64 113.00 1jvm s THR 85 Ca 0.00 0.70 0.28 0.00 -1.18 0.00 0.00 61.69 61.50 1jvm s THR 85 Cb 0.00 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.54 1jvm s THR 85 CO 0.00 0.56 1.87 0.17 -0.54 0.00 0.00 174.62 176.69 1jvm h LEU 86 N 4.66 0.00 0.00 4.79 -0.00 -1.96 -1.26 115.31 121.54 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 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1jvm h LEU 86 CO 0.61 0.00 -0.58 -0.50 -0.00 0.00 0.00 178.44 177.97 1jvm h TRP 87 N 0.00 0.00 -0.92 0.17 4.06 -1.92 -3.34 115.95 114.00 1jvm h TRP 87 Ca 0.17 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.37 1jvm h TRP 87 Cb 1.12 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.23 1jvm h TRP 87 CO 0.00 1.05 0.64 0.78 -3.56 0.00 0.00 178.44 177.35 1jvm h GLY 88 N -1.00 0.36 2.00 1.49 0.00 -1.55 0.82 103.07 105.19 1jvm h GLY 88 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.11 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 0.05 4.80 3.08 -1.40 -1.78 114.38 119.29 1jvm h ARG 89 Ca 0.46 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.33 1jvm h ARG 89 Cb 1.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1jvm h ARG 89 CO -0.08 0.00 -0.91 0.00 -1.07 0.00 0.00 179.97 177.90 1jvm h VAL 91 N -0.70 0.57 0.01 0.00 2.07 -1.21 -1.63 116.25 115.35 1jvm h VAL 91 Ca -0.22 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jvm h VAL 91 Cb 1.41 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1jvm h VAL 91 CO -0.03 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 1jvm h ALA 92 N 1.57 -0.79 -0.83 1.67 0.00 -1.29 -2.26 119.26 117.33 1jvm h ALA 92 Ca 0.51 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.64 1jvm h ALA 92 Cb 1.54 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 1jvm h ALA 92 CO -0.15 -0.79 0.02 0.28 0.00 0.00 0.00 179.25 178.61 1jvm n VAL 93 N -2.05 -0.35 0.19 0.00 0.31 -0.72 0.13 118.33 115.85 1jvm n VAL 93 Ca -0.00 1.83 -0.15 0.00 -0.01 0.00 0.00 64.34 66.01 1jvm n VAL 93 Cb 0.01 -2.67 -0.08 0.00 -0.91 0.00 0.00 33.84 30.18 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 0.69 -0.26 2.52 2.07 -1.34 -1.48 116.25 118.44 1jvm h VAL 94 Ca 0.51 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 68.05 1jvm h VAL 94 Cb 1.05 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1jvm h VAL 94 CO -0.78 0.01 -0.15 0.58 0.02 0.00 0.00 177.57 177.25 1jvm h VAL 95 N -0.45 0.56 0.04 2.57 2.07 0.17 0.21 116.25 121.43 1jvm h VAL 95 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jvm h VAL 95 Cb 0.34 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1jvm h VAL 95 CO 0.07 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.86 1jvm h MET 96 N -0.12 -0.08 -1.13 1.57 2.07 -0.76 -1.37 114.93 115.11 1jvm h MET 96 Ca 0.14 0.01 0.34 0.00 -2.07 0.00 0.00 59.70 58.11 1jvm h MET 96 Cb 0.33 0.02 -0.12 0.00 -1.87 0.00 0.00 31.60 29.96 1jvm h MET 96 CO -0.34 -0.05 0.71 0.28 1.07 0.00 0.00 176.91 178.58 1jvm h VAL 97 N -0.08 0.33 0.67 -2.22 2.07 -1.21 0.16 116.25 115.97 1jvm h VAL 97 Ca -0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1jvm h VAL 97 Cb 0.07 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 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 1.67 -1.21 0.23 1.67 0.00 -0.44 0.12 119.26 121.29 1jvm h ALA 98 Ca 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1jvm h ALA 98 Cb 1.91 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 20.35 1jvm h ALA 98 CO -0.41 -1.20 -0.14 0.78 0.00 0.00 0.00 179.25 178.27 1jvm h GLY 99 N -1.12 -0.36 -0.28 0.00 0.00 0.29 0.33 103.07 101.93 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 0.04 -0.15 -0.23 -2.22 0.00 0.00 0.00 176.54 173.98 1jvm h ILE 100 N -0.36 0.30 0.75 2.60 2.04 -0.77 0.04 117.51 122.11 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 0.30 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1jvm h ILE 100 CO 0.02 0.00 -0.42 0.74 0.00 0.00 0.00 178.15 178.49 1jvm h THR 101 N -0.09 0.14 -0.39 -0.27 2.02 -0.45 0.61 112.91 114.49 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 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1jvm h THR 101 CO -0.63 0.00 -0.35 0.28 0.37 0.00 0.00 175.52 175.18 1jvm h SER 102 N -1.09 -1.16 -0.24 4.18 0.02 0.35 0.24 113.55 115.85 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 0.87 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1jvm h SER 102 CO 0.12 -0.34 0.09 -0.26 -1.14 0.00 0.00 176.83 175.31 1jvm h PHE 103 N -0.28 0.37 -0.81 3.45 -1.00 -1.01 -1.54 116.94 116.12 1jvm h PHE 103 Ca 0.16 -0.03 0.22 0.00 2.81 0.00 0.00 57.97 61.14 1jvm h PHE 103 Cb 0.55 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1jvm h PHE 103 CO -0.55 0.40 0.57 0.78 -1.61 0.00 0.00 178.31 177.90 1jvm h GLY 104 N 0.23 0.15 0.59 -1.45 0.00 -0.08 0.14 103.07 102.65 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 -0.01 -0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.34 1jvm h LEU 105 N 0.07 -0.45 -2.15 3.11 5.85 0.37 -2.36 115.31 119.75 1jvm h LEU 105 Ca 0.39 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1jvm h LEU 105 Cb 1.45 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1jvm h LEU 105 CO -0.03 -0.04 0.23 0.58 -0.34 0.00 0.00 178.44 178.83 1jvm h VAL 106 N -0.95 0.57 -0.13 1.05 2.07 -0.19 0.95 116.25 119.62 1jvm h VAL 106 Ca -0.05 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1jvm h VAL 106 Cb 0.55 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1jvm h VAL 106 CO 0.09 0.00 -0.55 0.74 0.02 0.00 0.00 177.57 177.87 1jvm h THR 107 N 0.00 1.34 -0.03 2.57 2.02 -0.68 -2.26 112.91 115.88 1jvm h THR 107 Ca 0.11 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1jvm h THR 107 Cb 0.56 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1jvm h THR 107 CO -0.00 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.45 1jvm h ALA 108 N 1.11 0.04 -0.61 6.16 0.00 0.14 -2.57 119.26 123.53 1jvm h ALA 108 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jvm h ALA 108 Cb 1.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1jvm h ALA 108 CO 0.09 -0.32 0.40 0.00 0.00 0.00 0.00 179.25 179.42 1jvm h ALA 109 N 0.75 0.79 -0.77 0.00 0.00 -1.13 0.10 119.26 119.00 1jvm h ALA 109 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 109 Cb 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jvm h ALA 109 CO 0.00 0.17 0.41 -0.07 0.00 0.00 0.00 179.25 179.77 1jvm h LEU 110 N 0.80 0.57 0.15 0.00 3.38 -1.36 -2.03 115.31 116.81 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 -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jvm h LEU 110 CO -0.07 0.33 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 1jvm h ALA 111 N 1.44 -0.20 -0.08 1.53 0.00 -0.99 -2.90 119.26 118.06 1jvm h ALA 111 Ca 0.37 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jvm h ALA 111 Cb 0.36 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jvm h ALA 111 CO -0.25 -0.28 0.32 0.00 0.00 0.00 0.00 179.25 179.04 1jvm h THR 112 N -0.88 0.09 0.22 0.00 1.03 -0.73 0.64 112.91 113.27 1jvm h THR 112 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 66.41 66.07 1jvm h THR 112 Cb 0.52 0.69 0.04 0.00 -1.07 0.00 0.00 68.15 68.33 1jvm h THR 112 CO 0.03 0.00 -1.33 -0.25 -0.01 0.00 0.00 175.52 173.97 1jvm h TRP 113 N 0.00 0.91 -0.33 0.00 7.01 -1.39 -3.14 115.95 119.01 1jvm h TRP 113 Ca 0.04 -0.65 -0.02 0.00 2.11 0.00 0.00 58.89 60.36 1jvm h TRP 113 Cb 0.68 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 1jvm h TRP 113 CO 0.00 1.51 0.11 0.74 -2.79 0.00 0.00 178.44 178.00 1jvm h PHE 114 N 0.07 0.46 -0.01 2.65 0.05 0.48 0.33 116.94 120.97 1jvm h PHE 114 Ca -0.23 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.55 1jvm h PHE 114 Cb 2.04 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 39.85 1jvm h PHE 114 CO 0.14 0.39 0.00 0.28 -0.18 0.00 0.00 178.31 178.94 1jvm n VAL 115 N -4.38 0.01 0.02 -0.55 0.31 -0.78 -2.16 118.33 110.80 1jvm n VAL 115 Ca 0.02 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1jvm n VAL 115 Cb 0.15 -0.31 -0.14 0.00 -0.91 0.00 0.00 33.84 32.64 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 5.05 0.12 -2.18 2.92 0.00 -0.29 -3.15 103.07 105.55 1jvm h GLY 116 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jvm h GLY 116 CO 0.00 0.27 0.00 -0.96 0.00 0.00 0.00 176.54 175.85 1jvm n ARG 117 N -3.27 2.58 -0.05 4.80 1.85 -1.11 -3.97 116.66 117.48 1jvm n ARG 117 Ca -0.15 -2.34 -0.02 0.00 -1.00 0.00 0.00 57.85 54.34 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 -1.00 2.89 0.28 -0.92 -4.05 120.64 119.82 1jvm n GLU 118 Ca 0.19 -0.03 -0.19 0.00 -0.16 0.00 0.00 57.16 56.96 1jvm n GLU 118 Cb 0.56 -1.56 0.15 0.00 1.43 0.00 0.00 31.44 32.01 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 -2.62 2.04 0.00 3.44 1.13 -1.19 -5.07 117.38 115.12 1jvm n GLN 119 Ca -0.20 -2.45 0.00 0.00 -1.94 0.00 0.00 57.00 52.40 1jvm n GLN 119 Cb 0.93 -1.96 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1jvm n GLN 119 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01