#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvm n ARG 2 N 0.00 -2.02 -4.06 2.12 0.63 -1.26 -5.04 116.66 107.02 2jvm n ARG 2 Ca 0.00 1.79 -0.32 0.00 -0.92 0.00 0.00 57.85 58.40 2jvm n ARG 2 Cb 0.00 -2.63 -0.15 0.00 0.45 0.00 0.00 32.46 30.13 2jvm n ARG 2 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jvm s ARG 3 N -0.99 2.18 -0.44 -0.14 0.52 -1.26 -5.09 118.95 113.74 2jvm s ARG 3 Ca -0.10 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 53.62 2jvm s ARG 3 Cb 0.01 -2.90 0.07 0.00 0.52 0.00 0.00 34.95 32.64 2jvm s ARG 3 CO 0.26 -0.59 0.31 -1.14 0.02 0.00 0.00 175.30 174.16 2jvm s GLN 4 N 1.09 2.79 0.39 3.54 0.74 -1.26 -5.08 119.66 121.87 2jvm s GLN 4 Ca -0.08 -1.37 -0.04 0.00 0.05 0.00 0.00 55.36 53.92 2jvm s GLN 4 Cb -0.20 -3.92 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 2jvm s GLN 4 CO -0.05 -0.95 0.67 -1.25 -0.55 0.00 0.00 175.29 173.15 2jvm s PRO 5 N 1.53 3.58 -0.20 1.67 0.04 -1.26 -4.78 135.00 135.59 2jvm s PRO 5 Ca 0.03 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.12 2jvm s PRO 5 Cb -0.23 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2jvm s PRO 5 CO 0.05 0.01 0.01 1.63 0.04 0.00 0.00 177.00 178.74 2jvm n LYS 6 N -1.69 -2.26 -3.64 4.56 5.02 -1.26 -5.06 118.16 113.82 2jvm n LYS 6 Ca -0.01 2.02 -0.07 0.00 -2.02 0.00 0.00 58.31 58.22 2jvm n LYS 6 Cb 0.55 -3.71 -0.07 0.00 -0.02 0.00 0.00 35.03 31.78 2jvm n LYS 6 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jvm s THR 7 N -1.41 0.00 -0.27 -0.18 -1.32 -1.26 -5.15 115.64 106.05 2jvm s THR 7 Ca 0.01 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 2jvm s THR 7 Cb -0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 2jvm s THR 7 CO 0.49 0.00 -0.02 -0.60 -2.21 0.00 0.00 174.62 172.29 2jvm s ARG 8 N 0.51 1.51 -0.88 7.08 3.52 -1.26 -5.04 118.95 124.38 2jvm s ARG 8 Ca 0.00 -1.19 -0.19 0.00 -0.13 0.00 0.00 55.73 54.22 2jvm s ARG 8 Cb -0.05 -2.64 0.13 0.00 -1.56 0.00 0.00 34.95 30.83 2jvm s ARG 8 CO -0.09 -0.72 1.07 -1.14 -0.81 0.00 0.00 175.30 173.62 2jvm s GLN 9 N 1.31 3.53 -0.60 5.12 -0.44 -1.26 -4.99 119.66 122.34 2jvm s GLN 9 Ca -0.01 -1.69 -0.27 0.00 -2.50 0.00 0.00 55.36 50.90 2jvm s GLN 9 Cb -0.19 -4.79 -0.02 0.00 -1.64 0.00 0.00 33.01 26.37 2jvm s GLN 9 CO -0.09 -1.74 1.83 -1.83 0.50 0.00 0.00 175.29 173.96 2jvm s GLU 10 N 2.68 2.70 -0.36 1.67 -1.05 -1.26 -4.94 118.70 118.14 2jvm s GLU 10 Ca 0.30 0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 55.63 2jvm s GLU 10 Cb -0.07 -4.36 0.01 0.00 -0.44 0.00 0.00 34.13 29.26 2jvm s GLU 10 CO -0.07 -2.64 0.23 0.45 0.95 0.00 0.00 175.26 174.18 2jvm s SER 11 N 7.76 5.87 0.23 0.83 0.15 -1.26 -4.97 113.70 122.31 2jvm s SER 11 Ca 0.67 -0.73 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 2jvm s SER 11 Cb -0.13 -2.08 0.20 0.00 -1.71 0.00 0.00 66.02 62.30 2jvm s SER 11 CO 0.21 -0.32 1.86 0.00 1.20 0.00 0.00 173.24 176.19 2jvm h ALA 12 N 8.48 1.12 -1.24 5.45 0.00 -2.05 -3.35 119.26 127.67 2jvm h ALA 12 Ca -0.29 -0.11 -0.56 0.00 0.00 0.00 0.00 54.91 53.95 2jvm h ALA 12 Cb 1.13 -0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 2jvm h ALA 12 CO 0.66 0.60 1.25 0.50 0.00 0.00 0.00 179.25 182.27 2jvm s ARG 13 N -5.90 3.34 -0.04 0.00 6.06 -1.26 -4.72 118.95 116.41 2jvm s ARG 13 Ca -0.13 -0.60 0.22 0.00 -2.50 0.00 0.00 55.73 52.72 2jvm s ARG 13 Cb 0.16 -4.72 -0.33 0.00 0.06 0.00 0.00 34.95 30.13 2jvm s ARG 13 CO 0.82 -2.22 0.45 0.00 -2.50 0.00 0.00 175.30 171.85 2jvm n MET 14 N 9.15 0.66 -2.50 5.12 0.00 -1.26 -4.83 117.12 123.46 2jvm n MET 14 Ca 0.17 -0.18 -0.43 0.00 0.00 0.00 0.00 57.70 57.26 2jvm n MET 14 Cb 0.50 -1.52 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 2jvm n MET 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2jvm s SER 15 N -4.60 6.62 -0.11 3.17 0.15 -1.26 -5.01 113.70 112.65 2jvm s SER 15 Ca -0.08 0.82 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 2jvm s SER 15 Cb 0.13 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2jvm s SER 15 CO 0.90 -1.20 0.08 0.27 1.20 0.00 0.00 173.24 174.50 2jvm s ILE 16 N 4.55 5.02 -0.26 6.45 -5.25 -1.26 -5.07 121.20 125.38 2jvm s ILE 16 Ca 0.53 0.03 -0.02 0.00 -0.99 0.00 0.00 60.65 60.19 2jvm s ILE 16 Cb -0.12 -3.17 0.12 0.00 2.95 0.00 0.00 42.46 42.24 2jvm s ILE 16 CO 0.27 0.60 0.24 -0.70 -1.79 0.00 0.00 174.94 173.56 2jvm s GLU 17 N -0.87 0.25 -0.18 0.37 2.56 -1.26 -5.12 118.70 114.45 2jvm s GLU 17 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.97 54.94 2jvm s GLU 17 Cb -0.12 -0.93 0.08 0.00 2.00 0.00 0.00 34.13 35.16 2jvm s GLU 17 CO 0.03 -0.92 0.20 0.00 -0.56 0.00 0.00 175.26 174.02 2jvm s ALA 18 N 2.29 -0.20 -0.12 6.30 0.00 -1.26 -5.00 121.76 123.78 2jvm s ALA 18 Ca 0.09 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 2jvm s ALA 18 Cb -0.15 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 21.86 2jvm s ALA 18 CO -0.28 -1.10 1.77 -2.30 0.00 0.00 0.00 175.76 173.86 2jvm n PRO 19 N 5.32 1.31 -3.23 0.00 -0.02 -1.26 -4.93 135.00 132.18 2jvm n PRO 19 Ca -0.06 -0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 60.48 2jvm n PRO 19 Cb 0.50 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 2jvm n PRO 19 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jvm s GLU 20 N -0.72 3.87 0.20 -0.52 2.12 -1.26 -4.90 118.70 117.49 2jvm s GLU 20 Ca 0.12 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2jvm s GLU 20 Cb 0.10 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.96 2jvm s GLU 20 CO 0.00 0.20 0.00 2.41 -0.54 0.00 0.00 175.26 177.34 2jvm n THR 21 N -0.42 -4.16 -3.87 -1.70 -1.04 -1.26 -4.99 114.28 96.84 2jvm n THR 21 Ca 0.02 1.51 -0.35 0.00 -2.04 0.00 0.00 64.05 63.19 2jvm n THR 21 Cb 0.53 -2.54 -0.14 0.00 -1.82 0.00 0.00 70.33 66.37 2jvm n THR 21 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jvm s VAL 22 N -1.41 3.56 -0.15 12.58 1.01 -1.02 -5.03 120.40 129.94 2jvm s VAL 22 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2jvm s VAL 22 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2jvm s VAL 22 CO 0.00 0.39 0.54 -0.69 0.00 0.00 0.00 175.10 175.34 2jvm s VAL 23 N 1.50 5.13 0.07 2.92 1.01 -1.26 -0.90 120.40 128.86 2jvm s VAL 23 Ca 0.06 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2jvm s VAL 23 Cb -0.14 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2jvm s VAL 23 CO -0.02 0.25 -0.09 0.68 0.00 0.00 0.00 175.10 175.92 2jvm s VAL 24 N 1.10 0.74 -0.24 2.92 -7.23 0.11 -4.93 120.40 112.86 2jvm s VAL 24 Ca 0.27 -1.35 0.16 0.00 -1.81 0.00 0.00 61.98 59.25 2jvm s VAL 24 Cb -0.16 -0.98 0.43 0.00 0.56 0.00 0.00 36.38 36.23 2jvm s VAL 24 CO 0.11 -0.46 1.33 -0.24 -0.31 0.00 0.00 175.10 175.53 2jvm n SER 25 N 1.04 3.38 -4.49 4.85 2.88 -1.26 -0.95 113.62 119.07 2jvm n SER 25 Ca -0.20 -2.88 -0.26 0.00 -1.33 0.00 0.00 58.87 54.20 2jvm n SER 25 Cb 0.56 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 2jvm n SER 25 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jvm s THR 26 N -2.57 2.73 -1.15 2.46 -1.32 -1.26 -5.02 115.64 109.52 2jvm s THR 26 Ca 0.36 -1.92 0.23 0.00 -1.21 0.00 0.00 61.69 59.15 2jvm s THR 26 Cb 0.29 -2.35 -0.10 0.00 -1.51 0.00 0.00 72.50 68.83 2jvm s THR 26 CO 0.08 -0.15 1.12 0.79 -2.21 0.00 0.00 174.62 174.25 2jvm n TRP 27 N 0.04 0.00 -4.14 9.09 7.02 -1.26 -4.80 117.44 123.39 2jvm n TRP 27 Ca -0.11 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.09 2jvm n TRP 27 Cb 0.56 -0.09 -0.17 0.00 -2.42 0.00 0.00 31.31 29.20 2jvm n TRP 27 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2jvm s LYS 28 N -2.92 2.08 -0.08 -0.99 1.02 -1.26 0.30 119.74 117.89 2jvm s LYS 28 Ca 0.11 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.66 2jvm s LYS 28 Cb 0.17 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 2jvm s LYS 28 CO 0.77 -0.18 -0.23 0.14 -0.92 0.00 0.00 175.35 174.92 2jvm s VAL 29 N 1.36 2.19 -0.43 3.17 -7.23 -0.47 -4.95 120.40 114.04 2jvm s VAL 29 Ca 0.01 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.95 2jvm s VAL 29 Cb -0.13 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 35.01 2jvm s VAL 29 CO -0.07 0.56 0.77 0.00 -0.31 0.00 0.00 175.10 176.06 2jvm s ALA 30 N 0.03 3.32 0.08 1.32 0.00 -1.26 -0.12 121.76 125.12 2jvm s ALA 30 Ca -0.09 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 2jvm s ALA 30 Cb -0.15 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2jvm s ALA 30 CO 0.06 -1.84 0.55 0.00 0.00 0.00 0.00 175.76 174.53 2jvm n ASP 32 N 1.50 1.46 0.00 0.00 2.03 -1.26 -1.23 116.55 119.05 2jvm n ASP 32 Ca -0.09 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2jvm n ASP 32 Cb 0.51 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2jvm n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jvm n GLY 33 N -0.88 0.59 0.00 0.27 0.00 -1.25 -4.50 105.19 99.42 2jvm n GLY 33 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2jvm n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jvm n GLY 34 N 0.00 0.57 3.08 -0.02 0.00 0.15 -4.86 105.19 104.11 2jvm n GLY 34 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2jvm n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvm n GLU 35 N 0.00 -0.43 -1.62 1.61 1.02 -1.13 -4.90 120.64 115.19 2jvm n GLU 35 Ca 0.00 -1.93 -0.44 0.00 -0.02 0.00 0.00 57.16 54.77 2jvm n GLU 35 Cb 0.00 -0.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.61 2jvm n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jvm n GLY 36 N -1.44 1.37 2.70 0.62 0.00 -1.26 -0.80 105.19 106.37 2jvm n GLY 36 Ca 0.13 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2jvm n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvm n ALA 37 N 9.17 0.00 -3.69 4.61 0.00 -1.26 -4.96 120.51 124.38 2jvm n ALA 37 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 2jvm n ALA 37 Cb 0.39 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 2jvm n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jvm s LEU 38 N 0.00 5.36 0.00 0.00 1.43 0.02 -4.98 118.68 120.51 2jvm s LEU 38 Ca 0.00 -2.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.15 2jvm s LEU 38 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2jvm s LEU 38 CO 0.00 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2jvm n GLY 39 N 3.37 0.08 3.97 -3.19 0.00 -1.26 0.32 105.19 108.48 2jvm n GLY 39 Ca 0.10 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 2jvm n GLY 39 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jvm s HIS 40 N -4.00 3.35 0.81 1.61 -3.43 -1.26 -4.92 115.29 107.45 2jvm s HIS 40 Ca 0.00 0.06 -0.13 0.00 -0.80 0.00 0.00 55.06 54.19 2jvm s HIS 40 Cb 0.00 -1.86 0.09 0.00 -1.43 0.00 0.00 32.58 29.38 2jvm s HIS 40 CO 0.00 0.14 1.19 -1.25 -2.00 0.00 0.00 174.74 172.81 2jvm s PRO 41 N -4.19 1.63 0.02 -0.38 0.04 -1.26 -3.93 135.00 126.93 2jvm s PRO 41 Ca 0.40 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2jvm s PRO 41 Cb -0.09 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 2jvm s PRO 41 CO 0.33 -2.20 1.75 0.50 0.04 0.00 0.00 177.00 177.42 2jvm s ARG 42 N -4.24 4.17 0.21 4.56 3.52 -1.26 -4.77 118.95 121.14 2jvm s ARG 42 Ca 0.71 2.38 0.10 0.00 -0.13 0.00 0.00 55.73 58.79 2jvm s ARG 42 Cb -0.27 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2jvm s ARG 42 CO 0.51 -0.84 -0.19 0.08 -0.81 0.00 0.00 175.30 174.05 2jvm s VAL 43 N 3.63 2.06 -0.23 7.11 1.01 -0.37 -4.96 120.40 128.65 2jvm s VAL 43 Ca 0.78 -2.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 2jvm s VAL 43 Cb -0.39 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2jvm s VAL 43 CO 0.34 -0.37 -0.01 0.26 0.00 0.00 0.00 175.10 175.32 2jvm s TRP 44 N -2.32 3.00 0.30 5.22 0.52 -1.26 0.23 118.94 124.63 2jvm s TRP 44 Ca 0.22 -0.75 0.08 0.00 0.02 0.00 0.00 56.10 55.66 2jvm s TRP 44 Cb -0.05 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2jvm s TRP 44 CO 0.09 -0.47 0.16 -0.51 0.02 0.00 0.00 176.95 176.24 2jvm s LEU 45 N 1.49 3.45 -0.06 2.99 1.43 0.82 -4.97 118.68 123.84 2jvm s LEU 45 Ca 0.06 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2jvm s LEU 45 Cb -0.14 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2jvm s LEU 45 CO -0.01 -0.19 -0.16 -0.44 0.23 0.00 0.00 176.35 175.78 2jvm s SER 46 N -3.84 2.16 -0.12 2.29 0.01 -1.26 -1.37 113.70 111.57 2jvm s SER 46 Ca 0.36 -0.37 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 2jvm s SER 46 Cb -0.05 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 2jvm s SER 46 CO 0.23 0.10 0.52 -0.63 0.41 0.00 0.00 173.24 173.87 2jvm s ILE 47 N 0.38 5.16 0.17 1.44 1.01 0.15 -4.91 121.20 124.59 2jvm s ILE 47 Ca -0.12 1.04 -0.33 0.00 0.00 0.00 0.00 60.65 61.24 2jvm s ILE 47 Cb -0.15 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2jvm s ILE 47 CO 0.04 0.29 1.67 -2.65 0.00 0.00 0.00 174.94 174.29 2jvm n PRO 48 N 3.83 2.47 0.20 2.79 -0.02 -1.26 -4.91 135.00 138.11 2jvm n PRO 48 Ca -0.06 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.41 2jvm n PRO 48 Cb 0.51 -2.70 0.18 0.00 -0.02 0.00 0.00 33.50 31.47 2jvm n PRO 48 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jvm h HIS 49 N 6.55 0.00 0.00 6.00 3.86 -1.96 -1.32 115.15 128.28 2jvm h HIS 49 Ca -0.44 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.65 2jvm h HIS 49 Cb 1.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 2jvm h HIS 49 CO 0.65 0.14 -1.19 1.05 0.86 0.00 0.00 177.93 179.44 2jvm h GLU 50 N 0.00 0.00 0.02 2.45 9.09 -1.98 -3.38 114.58 120.77 2jvm h GLU 50 Ca -0.00 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 59.01 2jvm h GLU 50 Cb 1.06 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.10 2jvm h GLU 50 CO 0.02 0.24 -2.30 0.25 0.05 0.00 0.00 179.01 177.27 2jvm n THR 51 N -2.88 1.55 -0.42 -1.06 -2.24 -1.21 -5.02 114.28 102.99 2jvm n THR 51 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2jvm n THR 51 Cb 0.76 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2jvm n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jvm n GLY 52 N 1.74 0.75 3.36 3.38 0.00 -0.50 -4.98 105.19 108.94 2jvm n GLY 52 Ca -0.46 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2jvm n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jvm s PHE 53 N -2.00 -0.37 0.00 1.61 -0.12 -1.26 0.01 117.98 115.85 2jvm s PHE 53 Ca 0.00 0.54 0.06 0.00 -0.05 0.00 0.00 56.93 57.48 2jvm s PHE 53 Cb 0.00 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 2jvm s PHE 53 CO 0.00 -0.53 -0.19 0.54 -0.05 0.00 0.00 175.22 174.99 2jvm s VAL 54 N -1.72 1.51 0.07 -2.49 0.11 -0.09 -4.13 120.40 113.65 2jvm s VAL 54 Ca -0.10 -0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 57.98 2jvm s VAL 54 Cb -0.02 -1.28 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 2jvm s VAL 54 CO 0.03 0.34 0.30 -1.61 -3.33 0.00 0.00 175.10 170.84 2jvm s GLU 55 N -0.69 3.58 -0.20 1.54 0.41 -1.26 -2.79 118.70 119.29 2jvm s GLU 55 Ca 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 54.97 54.49 2jvm s GLU 55 Cb -0.08 -2.99 0.01 0.00 -1.78 0.00 0.00 34.13 29.29 2jvm s GLU 55 CO 0.00 0.58 -0.12 0.00 -0.49 0.00 0.00 175.26 175.22 2jvm n GLY 57 N 4.70 -0.32 0.10 0.00 0.00 -1.26 -4.11 105.19 104.30 2jvm n GLY 57 Ca -0.20 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 2jvm n GLY 57 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jvm h TYR 58 N 1.76 0.17 -4.55 1.61 0.05 -1.96 -3.49 116.97 110.56 2jvm h TYR 58 Ca 0.00 -0.12 -0.39 0.00 0.05 0.00 0.00 58.73 58.27 2jvm h TYR 58 Cb 0.53 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.16 2jvm h TYR 58 CO 0.00 1.32 -0.34 0.00 -1.05 0.00 0.00 178.16 178.08 2jvm n ASP 60 N -1.55 0.14 -4.83 0.00 8.00 -1.26 -4.56 116.55 112.49 2jvm n ASP 60 Ca 0.05 -1.81 -0.32 0.00 0.71 0.00 0.00 54.79 53.41 2jvm n ASP 60 Cb 0.62 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jvm s ARG 61 N -1.84 3.79 -0.14 -1.24 0.52 -1.26 -5.03 118.95 113.75 2jvm s ARG 61 Ca 0.00 1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 56.16 2jvm s ARG 61 Cb 0.00 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 33.42 2jvm s ARG 61 CO 0.00 -0.41 0.33 0.50 0.02 0.00 0.00 175.30 175.74 2jvm s ARG 62 N -4.07 0.28 -0.10 3.54 3.52 -1.26 -3.69 118.95 117.17 2jvm s ARG 62 Ca 0.60 0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 56.89 2jvm s ARG 62 Cb -0.11 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 2jvm s ARG 62 CO 0.33 -0.18 -0.01 0.71 -0.81 0.00 0.00 175.30 175.33 2jvm s TYR 63 N 1.58 3.11 0.04 5.12 1.51 -1.12 -2.44 117.35 125.16 2jvm s TYR 63 Ca -0.07 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 2jvm s TYR 63 Cb -0.10 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2jvm s TYR 63 CO -0.11 0.36 -0.10 -1.50 -1.11 0.00 0.00 175.55 173.10 2jvm s ILE 64 N -0.64 0.71 0.43 2.71 2.07 -0.08 -0.91 121.20 125.49 2jvm s ILE 64 Ca 0.10 -1.02 -0.23 0.00 -1.41 0.00 0.00 60.65 58.09 2jvm s ILE 64 Cb -0.12 -0.72 -0.08 0.00 0.13 0.00 0.00 42.46 41.67 2jvm s ILE 64 CO 0.02 -0.25 1.10 -2.28 -1.91 0.00 0.00 174.94 171.62 2jvm s HIS 65 N -1.15 3.08 0.30 3.50 5.65 0.10 -0.71 115.29 126.05 2jvm s HIS 65 Ca -0.06 1.59 0.04 0.00 0.25 0.00 0.00 55.06 56.89 2jvm s HIS 65 Cb -0.09 -3.23 0.76 0.00 -1.18 0.00 0.00 32.58 28.85 2jvm s HIS 65 CO 0.01 -1.01 1.65 1.05 -0.65 0.00 0.00 174.74 175.79 2jvm h GLU 66 N 2.24 0.22 0.00 2.88 4.11 -1.38 -1.01 114.58 121.64 2jvm h GLU 66 Ca -0.49 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 58.84 2jvm h GLU 66 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2jvm h GLU 66 CO 0.61 0.15 -0.42 1.03 0.07 0.00 0.00 179.01 180.45 2jvm h SER 67 N 0.23 0.00 0.79 3.06 0.87 -1.92 -2.33 113.55 114.25 2jvm h SER 67 Ca 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2jvm h SER 67 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2jvm h SER 67 CO -0.65 0.42 -0.67 0.49 -0.53 0.00 0.00 176.83 175.89 2jvm n PHE 68 N -3.85 0.49 -0.90 2.24 3.01 -0.45 -3.87 117.46 114.13 2jvm n PHE 68 Ca -0.01 0.14 -0.19 0.00 1.01 0.00 0.00 57.45 58.40 2jvm n PHE 68 Cb 0.48 -0.61 0.17 0.00 -0.01 0.00 0.00 39.48 39.50 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jvm n ALA 69 N -1.81 5.08 0.33 4.37 0.00 -0.77 -4.62 120.51 123.09 2jvm n ALA 69 Ca 0.03 -2.44 -0.02 0.00 0.00 0.00 0.00 53.44 51.01 2jvm n ALA 69 Cb 0.43 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.52 2jvm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm n ALA 70 N -0.83 3.25 0.14 0.00 0.00 -1.24 -3.98 120.51 117.86 2jvm n ALA 70 Ca 0.50 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.73 2jvm n ALA 70 Cb 1.49 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 20.01 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm h ALA 71 N 1.62 0.74 -4.83 0.00 0.00 -1.93 -3.46 119.26 111.40 2jvm h ALA 71 Ca 0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2jvm h ALA 71 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jvm h ALA 71 CO 0.09 0.70 -0.08 1.63 0.00 0.00 0.00 179.25 181.60 2jvm n LYS 72 N -3.39 1.06 -2.40 0.00 5.02 -1.26 -5.09 118.16 112.11 2jvm n LYS 72 Ca 0.01 -1.30 -0.39 0.00 -2.02 0.00 0.00 58.31 54.60 2jvm n LYS 72 Cb 0.69 0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 35.73 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jvm s LEU 73 N 0.00 4.39 0.57 -0.35 1.43 -1.26 -5.04 118.68 118.41 2jvm s LEU 73 Ca 0.16 2.31 0.06 0.00 -1.03 0.00 0.00 54.13 55.63 2jvm s LEU 73 Cb -0.01 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.45 2jvm s LEU 73 CO 0.10 -0.37 0.48 -1.83 0.23 0.00 0.00 176.35 174.96 2jvm s GLU 74 N -1.85 2.23 -0.22 1.70 -1.05 -1.26 -5.05 118.70 113.20 2jvm s GLU 74 Ca 0.50 -2.02 0.16 0.00 -0.15 0.00 0.00 54.97 53.46 2jvm s GLU 74 Cb -0.31 -2.16 0.39 0.00 -0.44 0.00 0.00 34.13 31.61 2jvm s GLU 74 CO 0.40 -0.72 1.27 1.58 0.95 0.00 0.00 175.26 178.74 2jvm n HIS 75 N -1.88 -0.34 0.99 4.83 -0.00 -1.26 -4.93 115.22 112.63 2jvm n HIS 75 Ca 0.01 -1.54 0.11 0.00 0.46 0.00 0.00 57.72 56.76 2jvm n HIS 75 Cb 0.64 0.56 0.32 0.00 -0.12 0.00 0.00 29.99 31.40 2jvm n HIS 75 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jvm n HIS 76 N -0.73 0.28 -2.28 1.57 -0.00 -1.26 -4.80 115.22 108.00 2jvm n HIS 76 Ca -0.07 -0.14 -0.39 0.00 -0.00 0.00 0.00 57.72 57.11 2jvm n HIS 76 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.82 2jvm n HIS 76 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jvm s HIS 77 N -1.72 1.96 0.00 1.57 2.46 -1.26 -3.98 115.29 114.32 2jvm s HIS 77 Ca 0.33 0.38 0.00 0.00 0.47 0.00 0.00 55.06 56.24 2jvm s HIS 77 Cb 0.19 -4.35 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 2jvm s HIS 77 CO 0.27 -2.19 0.00 1.58 -2.47 0.00 0.00 174.74 171.93 2jvm n HIS 78 N 11.17 0.00 -4.14 3.88 -0.00 -1.26 -5.12 115.22 119.75 2jvm n HIS 78 Ca 0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.69 2jvm n HIS 78 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.38 2jvm n HIS 78 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jvm s HIS 79 N -0.99 0.91 0.00 1.57 3.76 -1.26 -5.33 115.29 113.95 2jvm s HIS 79 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 2jvm s HIS 79 Cb 0.00 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.16 2jvm s HIS 79 CO 0.00 -0.02 0.31 1.58 -0.85 0.00 0.00 174.74 175.76