#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvm s ARG 2 N 0.00 2.00 -0.35 0.03 1.81 -1.26 -4.98 118.95 116.20 2jvm s ARG 2 Ca 0.00 -1.73 0.03 0.00 -1.72 0.00 0.00 55.73 52.31 2jvm s ARG 2 Cb 0.00 -3.46 0.16 0.00 -0.45 0.00 0.00 34.95 31.20 2jvm s ARG 2 CO 0.00 -0.97 0.39 -0.98 -0.68 0.00 0.00 175.30 173.06 2jvm s ARG 3 N 1.13 0.58 -0.30 3.54 1.70 -1.26 -5.13 118.95 119.21 2jvm s ARG 3 Ca 0.06 -0.56 -0.22 0.00 -0.47 0.00 0.00 55.73 54.53 2jvm s ARG 3 Cb -0.22 -0.58 -0.00 0.00 -0.57 0.00 0.00 34.95 33.58 2jvm s ARG 3 CO -0.04 -1.15 0.74 -1.14 -1.08 0.00 0.00 175.30 172.63 2jvm s GLN 4 N 1.76 3.95 -0.29 3.89 0.74 -1.26 -4.99 119.66 123.45 2jvm s GLN 4 Ca 0.15 0.50 -0.28 0.00 0.05 0.00 0.00 55.36 55.78 2jvm s GLN 4 Cb -0.14 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2jvm s GLN 4 CO -0.12 -0.64 2.10 -1.25 -0.55 0.00 0.00 175.29 174.83 2jvm s PRO 5 N 2.85 3.07 -0.37 1.67 0.04 -1.26 -4.93 135.00 136.07 2jvm s PRO 5 Ca 0.30 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2jvm s PRO 5 Cb -0.14 -4.34 0.12 0.00 0.04 0.00 0.00 34.50 30.17 2jvm s PRO 5 CO 0.12 -2.17 0.15 0.15 0.04 0.00 0.00 177.00 175.29 2jvm s LYS 6 N 6.36 1.00 -0.11 4.56 1.02 -1.26 -5.11 119.74 126.21 2jvm s LYS 6 Ca 0.93 -1.52 0.02 0.00 0.02 0.00 0.00 55.97 55.42 2jvm s LYS 6 Cb -0.27 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2jvm s LYS 6 CO 0.33 -1.06 -0.19 0.99 -0.92 0.00 0.00 175.35 174.51 2jvm s THR 7 N 1.04 2.58 -0.50 2.17 2.01 -1.26 -5.09 115.64 116.59 2jvm s THR 7 Ca 0.13 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 2jvm s THR 7 Cb -0.20 -2.03 0.11 0.00 0.01 0.00 0.00 72.50 70.38 2jvm s THR 7 CO -0.13 0.55 0.42 -0.60 -0.69 0.00 0.00 174.62 174.17 2jvm s ARG 8 N 0.21 2.87 -0.41 4.92 3.00 -1.26 -5.04 118.95 123.25 2jvm s ARG 8 Ca -0.12 -1.58 -0.18 0.00 -1.00 0.00 0.00 55.73 52.85 2jvm s ARG 8 Cb -0.16 -4.14 0.02 0.00 0.00 0.00 0.00 34.95 30.66 2jvm s ARG 8 CO 0.06 -1.18 0.46 -1.14 0.00 0.00 0.00 175.30 173.50 2jvm s GLN 9 N 1.56 3.20 -0.28 5.12 0.74 -1.26 -5.02 119.66 123.72 2jvm s GLN 9 Ca 0.04 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2jvm s GLN 9 Cb -0.27 -3.94 0.08 0.00 1.10 0.00 0.00 33.01 29.98 2jvm s GLN 9 CO 0.03 -0.83 0.04 -2.00 -0.55 0.00 0.00 175.29 171.99 2jvm s GLU 10 N 2.23 1.09 -0.62 1.67 2.12 -1.26 -5.03 118.70 118.89 2jvm s GLU 10 Ca 0.14 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 54.41 2jvm s GLU 10 Cb -0.16 -2.38 0.15 0.00 0.26 0.00 0.00 34.13 32.00 2jvm s GLU 10 CO 0.14 -0.83 0.39 -1.12 -0.54 0.00 0.00 175.26 173.30 2jvm s SER 11 N 1.46 4.56 -0.28 -1.70 0.01 -1.26 -5.08 113.70 111.41 2jvm s SER 11 Ca 0.04 -3.48 -0.29 0.00 1.31 0.00 0.00 55.95 53.53 2jvm s SER 11 Cb -0.18 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.44 2jvm s SER 11 CO -0.15 -0.15 1.15 0.00 0.41 0.00 0.00 173.24 174.50 2jvm s ALA 12 N -0.93 3.51 0.00 1.44 0.00 -1.26 -4.91 121.76 119.61 2jvm s ALA 12 Ca 0.22 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 2jvm s ALA 12 Cb -0.14 -3.68 -0.22 0.00 0.00 0.00 0.00 23.12 19.09 2jvm s ALA 12 CO -0.09 -1.46 1.12 -0.09 0.00 0.00 0.00 175.76 175.23 2jvm h ARG 13 N 8.31 0.37 -3.10 0.00 2.43 -2.06 -3.41 114.38 116.93 2jvm h ARG 13 Ca -0.22 -0.37 -0.59 0.00 -0.81 0.00 0.00 59.98 57.98 2jvm h ARG 13 Cb 1.07 0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 30.32 2jvm h ARG 13 CO 1.02 1.04 -0.76 1.41 -1.51 0.00 0.00 179.97 181.16 2jvm s MET 14 N -3.33 0.95 -0.69 0.20 0.00 -1.26 -5.08 119.30 110.09 2jvm s MET 14 Ca -0.14 -1.56 -0.24 0.00 0.00 0.00 0.00 55.69 53.76 2jvm s MET 14 Cb 0.03 -2.02 0.06 0.00 0.00 0.00 0.00 34.83 32.90 2jvm s MET 14 CO 0.80 -1.11 1.07 -1.12 0.00 0.00 0.00 175.02 174.67 2jvm s SER 15 N 0.92 6.17 0.32 1.11 0.01 -1.26 -5.01 113.70 115.96 2jvm s SER 15 Ca 0.15 -0.82 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2jvm s SER 15 Cb -0.22 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2jvm s SER 15 CO -0.08 -1.58 0.30 -0.63 0.41 0.00 0.00 173.24 171.66 2jvm s ILE 16 N 4.63 3.78 -0.25 1.44 1.01 -1.26 -5.13 121.20 125.43 2jvm s ILE 16 Ca 0.27 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2jvm s ILE 16 Cb -0.14 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 39.14 2jvm s ILE 16 CO 0.12 -0.20 0.61 -1.83 0.00 0.00 0.00 174.94 173.63 2jvm s GLU 17 N -3.99 0.63 -0.47 2.79 -1.05 -1.26 -5.09 118.70 110.26 2jvm s GLU 17 Ca 0.40 1.07 0.06 0.00 -0.15 0.00 0.00 54.97 56.35 2jvm s GLU 17 Cb -0.07 0.12 0.26 0.00 -0.44 0.00 0.00 34.13 34.01 2jvm s GLU 17 CO 0.27 -0.14 0.89 0.00 0.95 0.00 0.00 175.26 177.22 2jvm n ALA 18 N 4.11 -0.78 -2.34 -0.84 0.00 -1.26 -5.15 120.51 114.24 2jvm n ALA 18 Ca -0.20 -1.69 -0.23 0.00 0.00 0.00 0.00 53.44 51.32 2jvm n ALA 18 Cb 0.58 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.80 2jvm n ALA 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jvm s PRO 19 N 0.32 3.11 -0.61 0.00 0.04 -1.26 -5.07 135.00 131.52 2jvm s PRO 19 Ca 0.31 -0.46 0.02 0.00 0.04 0.00 0.00 61.00 60.91 2jvm s PRO 19 Cb 0.24 -2.56 0.15 0.00 0.04 0.00 0.00 34.50 32.37 2jvm s PRO 19 CO -0.19 -0.24 0.39 -1.83 0.04 0.00 0.00 177.00 175.17 2jvm s GLU 20 N -4.54 2.31 -0.37 4.56 -1.05 -1.26 -5.06 118.70 113.29 2jvm s GLU 20 Ca 0.48 -2.84 -0.21 0.00 -0.15 0.00 0.00 54.97 52.25 2jvm s GLU 20 Cb -0.10 -3.48 0.01 0.00 -0.44 0.00 0.00 34.13 30.12 2jvm s GLU 20 CO 0.38 -1.18 0.65 0.99 0.95 0.00 0.00 175.26 177.05 2jvm s THR 21 N -0.62 4.86 -0.23 1.83 2.01 -1.26 -4.68 115.64 117.56 2jvm s THR 21 Ca 0.20 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 2jvm s THR 21 Cb -0.18 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.22 2jvm s THR 21 CO -0.06 -0.39 1.06 -0.69 -0.69 0.00 0.00 174.62 173.86 2jvm s VAL 22 N 2.77 4.63 -0.33 3.82 1.01 -1.19 -4.85 120.40 126.26 2jvm s VAL 22 Ca 0.25 1.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.92 2jvm s VAL 22 Cb -0.14 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2jvm s VAL 22 CO 0.16 -0.19 0.98 -0.69 0.00 0.00 0.00 175.10 175.36 2jvm s VAL 23 N 3.25 4.59 0.15 2.92 1.01 -1.25 -1.19 120.40 129.88 2jvm s VAL 23 Ca 0.45 1.50 0.06 0.00 0.00 0.00 0.00 61.98 64.00 2jvm s VAL 23 Cb -0.16 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2jvm s VAL 23 CO 0.07 -0.43 0.00 0.68 0.00 0.00 0.00 175.10 175.42 2jvm s VAL 24 N 3.45 3.84 -0.85 2.92 -7.23 0.94 -4.85 120.40 118.63 2jvm s VAL 24 Ca 0.41 -1.27 0.09 0.00 -1.81 0.00 0.00 61.98 59.40 2jvm s VAL 24 Cb -0.13 -2.90 0.19 0.00 0.56 0.00 0.00 36.38 34.11 2jvm s VAL 24 CO 0.15 -0.03 1.08 -0.24 -0.31 0.00 0.00 175.10 175.75 2jvm n SER 25 N 0.10 2.44 -4.05 4.85 2.88 -1.26 -0.86 113.62 117.72 2jvm n SER 25 Ca -0.10 -1.81 -0.24 0.00 -1.33 0.00 0.00 58.87 55.39 2jvm n SER 25 Cb 0.54 -0.13 -0.16 0.00 -0.75 0.00 0.00 64.21 63.71 2jvm n SER 25 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jvm s THR 26 N -0.92 1.13 -0.35 2.46 2.01 -1.26 -5.02 115.64 113.69 2jvm s THR 26 Ca 0.16 -0.51 0.21 0.00 0.31 0.00 0.00 61.69 61.85 2jvm s THR 26 Cb 0.09 -1.01 0.26 0.00 0.01 0.00 0.00 72.50 71.85 2jvm s THR 26 CO 0.12 0.35 1.56 -0.50 -0.69 0.00 0.00 174.62 175.46 2jvm h TRP 27 N 6.65 0.00 -3.30 4.92 4.06 -1.93 -3.41 115.95 122.94 2jvm h TRP 27 Ca -0.32 0.00 -0.74 0.00 2.06 0.00 0.00 58.89 59.90 2jvm h TRP 27 Cb 1.18 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 29.10 2jvm h TRP 27 CO 0.46 0.15 -0.35 0.15 -3.56 0.00 0.00 178.44 175.29 2jvm s LYS 28 N -3.14 2.86 0.12 0.49 -0.14 -1.26 -0.38 119.74 118.28 2jvm s LYS 28 Ca 0.06 -1.46 0.06 0.00 -1.36 0.00 0.00 55.97 53.27 2jvm s LYS 28 Cb 0.06 -4.06 -0.04 0.00 -1.68 0.00 0.00 37.83 32.11 2jvm s LYS 28 CO 0.69 -1.07 -0.00 0.14 -0.76 0.00 0.00 175.35 174.35 2jvm s VAL 29 N 1.57 3.91 -0.24 3.17 -7.23 -1.03 -4.95 120.40 115.60 2jvm s VAL 29 Ca 0.04 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2jvm s VAL 29 Cb -0.25 -2.90 0.05 0.00 0.56 0.00 0.00 36.38 33.84 2jvm s VAL 29 CO 0.05 0.05 -0.12 0.00 -0.31 0.00 0.00 175.10 174.76 2jvm s ALA 30 N -1.43 2.44 0.05 1.32 0.00 -1.26 -0.75 121.76 122.13 2jvm s ALA 30 Ca 0.26 -1.60 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 2jvm s ALA 30 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2jvm s ALA 30 CO 0.18 -1.01 0.19 0.00 0.00 0.00 0.00 175.76 175.11 2jvm n ASP 32 N 0.48 0.50 0.00 0.00 2.03 -1.26 0.25 116.55 118.55 2jvm n ASP 32 Ca -0.07 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2jvm n ASP 32 Cb 0.51 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.28 0.46 0.00 0.27 0.00 -1.19 -4.68 105.19 100.33 2jvm n GLY 33 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 6.36 3.74 -0.02 0.00 0.13 -4.96 105.19 110.44 2jvm n GLY 34 Ca 0.00 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 2jvm n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jvm s GLU 35 N 1.56 2.68 7.88 1.61 8.01 -1.26 -4.38 118.70 134.79 2jvm s GLU 35 Ca 0.00 1.83 0.00 0.00 0.01 0.00 0.00 54.97 56.81 2jvm s GLU 35 Cb 0.00 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.93 2jvm s GLU 35 CO 0.00 -1.44 0.00 0.41 0.01 0.00 0.00 175.26 174.24 2jvm n GLY 36 N 0.49 3.61 0.26 -1.39 0.00 -1.26 -2.16 105.19 104.74 2jvm n GLY 36 Ca 0.14 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 11.87 2.36 -2.31 4.61 0.00 -1.26 -5.04 120.51 130.75 2jvm n ALA 37 Ca 0.00 -2.37 -0.43 0.00 0.00 0.00 0.00 53.44 50.64 2jvm n ALA 37 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.25 3.73 0.00 0.00 1.43 -0.92 -4.69 118.68 115.99 2jvm s LEU 38 Ca 0.26 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2jvm s LEU 38 Cb 0.24 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2jvm s LEU 38 CO 0.01 -1.31 0.00 0.61 0.23 0.00 0.00 176.35 175.89 2jvm n GLY 39 N 4.78 0.22 3.60 -3.19 0.00 -1.26 0.22 105.19 109.55 2jvm n GLY 39 Ca 0.17 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.73 2.64 0.87 1.61 -3.43 -1.26 -5.00 115.29 109.98 2jvm s HIS 40 Ca 0.00 -0.23 -0.10 0.00 -0.80 0.00 0.00 55.06 53.93 2jvm s HIS 40 Cb 0.00 -1.21 0.11 0.00 -1.43 0.00 0.00 32.58 30.05 2jvm s HIS 40 CO 0.00 0.59 1.12 -2.14 -2.00 0.00 0.00 174.74 172.31 2jvm s PRO 41 N -3.31 1.45 0.18 -0.38 0.02 -1.26 -3.18 135.00 128.52 2jvm s PRO 41 Ca 0.29 1.35 -0.33 0.00 0.02 0.00 0.00 61.00 62.33 2jvm s PRO 41 Cb -0.07 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 32.51 2jvm s PRO 41 CO 0.18 -2.27 1.40 -2.13 -0.33 0.00 0.00 177.00 173.85 2jvm n ARG 42 N -3.97 1.77 -4.17 5.54 0.00 -1.25 -4.64 116.66 109.95 2jvm n ARG 42 Ca 0.10 0.63 -0.10 0.00 -0.00 0.00 0.00 57.85 58.48 2jvm n ARG 42 Cb 0.53 -2.29 -0.10 0.00 0.00 0.00 0.00 32.46 30.59 2jvm n ARG 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jvm s VAL 43 N 0.28 0.60 -0.14 5.15 0.11 0.14 -4.97 120.40 121.57 2jvm s VAL 43 Ca 0.75 -1.92 -0.01 0.00 -2.93 0.00 0.00 61.98 57.86 2jvm s VAL 43 Cb -0.74 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.36 2jvm s VAL 43 CO 0.46 -0.83 -0.10 0.26 -3.33 0.00 0.00 175.10 171.57 2jvm s TRP 44 N -3.69 2.89 0.28 1.54 0.52 -1.26 -1.17 118.94 118.05 2jvm s TRP 44 Ca 0.13 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.82 2jvm s TRP 44 Cb 0.06 -1.89 -0.06 0.00 -1.15 0.00 0.00 33.47 30.44 2jvm s TRP 44 CO -0.04 -0.15 -0.10 -0.51 0.02 0.00 0.00 176.95 176.17 2jvm s LEU 45 N 0.35 2.57 -0.22 2.99 1.43 0.07 -5.00 118.68 120.88 2jvm s LEU 45 Ca -0.08 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 51.87 2jvm s LEU 45 Cb -0.15 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.32 2jvm s LEU 45 CO 0.05 -0.22 -0.01 -0.55 0.23 0.00 0.00 176.35 175.85 2jvm s SER 46 N -3.47 3.46 0.00 2.29 0.15 -1.26 -2.46 113.70 112.41 2jvm s SER 46 Ca 0.29 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 2jvm s SER 46 Cb 0.01 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.34 2jvm s SER 46 CO 0.13 -0.27 1.35 -0.63 1.20 0.00 0.00 173.24 175.02 2jvm s ILE 47 N 1.59 3.80 0.06 6.45 1.01 0.49 -4.97 121.20 129.62 2jvm s ILE 47 Ca -0.04 1.19 -0.31 0.00 0.00 0.00 0.00 60.65 61.50 2jvm s ILE 47 Cb -0.18 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 2jvm s ILE 47 CO -0.07 0.01 1.51 -2.84 0.00 0.00 0.00 174.94 173.55 2jvm s PRO 48 N 2.20 4.25 0.43 2.79 0.02 -1.26 -4.90 135.00 138.53 2jvm s PRO 48 Ca 0.62 2.16 0.21 0.00 0.02 0.00 0.00 61.00 64.00 2jvm s PRO 48 Cb -0.30 -3.51 0.99 0.00 0.02 0.00 0.00 34.50 31.70 2jvm s PRO 48 CO 0.26 -0.62 1.89 0.45 -0.33 0.00 0.00 177.00 178.65 2jvm h HIS 49 N 7.81 0.00 0.00 6.54 3.86 -1.95 0.16 115.15 131.57 2jvm h HIS 49 Ca -0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2jvm h HIS 49 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2jvm h HIS 49 CO 0.74 0.27 0.00 -0.85 0.86 0.00 0.00 177.93 178.95 2jvm n GLU 50 N -3.71 0.21 -0.04 2.45 0.00 -1.26 -3.82 120.64 114.48 2jvm n GLU 50 Ca -0.01 0.28 -0.05 0.00 0.00 0.00 0.00 57.16 57.38 2jvm n GLU 50 Cb 0.38 -1.81 -0.04 0.00 0.00 0.00 0.00 31.44 29.97 2jvm n GLU 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2jvm n THR 51 N -2.19 0.45 0.00 3.84 -2.24 -0.87 -5.01 114.28 108.26 2jvm n THR 51 Ca 0.04 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jvm n THR 51 Cb 0.34 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 3.00 2.76 3.46 3.38 0.00 0.50 -4.95 105.19 113.34 2jvm n GLY 52 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.85 2.33 -0.04 1.61 -0.12 -1.26 -0.38 117.98 119.27 2jvm s PHE 53 Ca 0.00 -0.33 -0.03 0.00 -0.05 0.00 0.00 56.93 56.51 2jvm s PHE 53 Cb 0.00 -1.09 0.01 0.00 -0.63 0.00 0.00 43.02 41.31 2jvm s PHE 53 CO 0.00 0.59 0.10 0.54 -0.05 0.00 0.00 175.22 176.40 2jvm s VAL 54 N -2.03 0.00 -0.11 -2.49 0.11 0.08 -4.61 120.40 111.36 2jvm s VAL 54 Ca 0.25 -0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 2jvm s VAL 54 Cb -0.07 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 2jvm s VAL 54 CO 0.13 -0.00 0.36 -1.61 -3.33 0.00 0.00 175.10 170.65 2jvm s GLU 55 N 0.05 4.16 0.23 1.54 8.01 -1.26 -1.54 118.70 129.88 2jvm s GLU 55 Ca -0.00 0.25 -0.30 0.00 0.01 0.00 0.00 54.97 54.93 2jvm s GLU 55 Cb -0.01 -3.37 -0.09 0.00 -4.31 0.00 0.00 34.13 26.35 2jvm s GLU 55 CO 0.00 0.35 1.33 0.00 0.01 0.00 0.00 175.26 176.95 2jvm h GLY 57 N 4.99 0.00 0.00 0.00 0.00 -1.97 -3.30 103.07 102.79 2jvm h GLY 57 Ca -0.46 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 2jvm h GLY 57 CO 0.75 0.00 -0.62 -0.97 0.00 0.00 0.00 176.54 175.71 2jvm h TYR 58 N 0.00 0.00 -3.07 5.60 0.05 -1.97 -3.49 116.97 114.09 2jvm h TYR 58 Ca -0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 2jvm h TYR 58 Cb 0.72 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.29 2jvm h TYR 58 CO 0.00 0.63 -0.80 0.00 -1.05 0.00 0.00 178.16 176.94 2jvm n ASP 60 N 0.15 4.55 -4.89 0.00 2.03 -1.26 -3.75 116.55 113.38 2jvm n ASP 60 Ca -0.12 -2.21 -0.35 0.00 0.52 0.00 0.00 54.79 52.63 2jvm n ASP 60 Cb 0.56 -0.98 -0.06 0.00 -0.72 0.00 0.00 41.12 39.92 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2jvm s ARG 61 N 0.38 3.43 -0.02 -0.67 3.52 -1.26 -4.98 118.95 119.35 2jvm s ARG 61 Ca 0.05 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 2jvm s ARG 61 Cb 0.02 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2jvm s ARG 61 CO 0.00 0.74 -0.22 0.50 -0.81 0.00 0.00 175.30 175.50 2jvm s ARG 62 N -1.41 1.86 0.01 5.12 3.52 -1.26 -1.60 118.95 125.19 2jvm s ARG 62 Ca 0.20 -0.79 0.09 0.00 -0.13 0.00 0.00 55.73 55.09 2jvm s ARG 62 Cb -0.12 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 2jvm s ARG 62 CO 0.10 0.46 -0.26 0.71 -0.81 0.00 0.00 175.30 175.50 2jvm s TYR 63 N -0.46 2.32 -0.01 5.12 1.51 -0.59 -3.17 117.35 122.06 2jvm s TYR 63 Ca 0.07 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2jvm s TYR 63 Cb -0.09 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2jvm s TYR 63 CO -0.00 0.04 -0.08 -1.50 -1.11 0.00 0.00 175.55 172.90 2jvm s ILE 64 N -0.71 0.63 0.47 2.71 2.07 -0.33 -0.74 121.20 125.30 2jvm s ILE 64 Ca 0.11 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 58.82 2jvm s ILE 64 Cb -0.10 -0.55 -0.08 0.00 0.13 0.00 0.00 42.46 41.86 2jvm s ILE 64 CO 0.01 0.19 1.10 -2.28 -1.91 0.00 0.00 174.94 172.05 2jvm s HIS 65 N 0.02 2.96 0.37 3.50 5.65 0.48 -0.04 115.29 128.24 2jvm s HIS 65 Ca 0.00 1.57 0.15 0.00 0.25 0.00 0.00 55.06 57.03 2jvm s HIS 65 Cb -0.05 -3.23 1.01 0.00 -1.18 0.00 0.00 32.58 29.12 2jvm s HIS 65 CO -0.00 -1.14 1.78 1.05 -0.65 0.00 0.00 174.74 175.77 2jvm h GLU 66 N 1.89 0.47 -0.61 2.88 4.11 -1.33 -1.50 114.58 120.51 2jvm h GLU 66 Ca -0.49 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.87 2jvm h GLU 66 Cb 1.24 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2jvm h GLU 66 CO 0.60 0.31 0.21 1.03 0.07 0.00 0.00 179.01 181.23 2jvm h SER 67 N 0.49 0.87 0.72 3.06 0.87 -1.92 -2.00 113.55 115.65 2jvm h SER 67 Ca 0.58 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2jvm h SER 67 Cb 1.31 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2jvm h SER 67 CO -0.32 0.83 -0.19 0.49 -0.53 0.00 0.00 176.83 177.11 2jvm n PHE 68 N -4.41 0.00 -0.01 2.24 3.01 -0.64 -2.05 117.46 115.59 2jvm n PHE 68 Ca 0.04 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.32 2jvm n PHE 68 Cb 0.19 -0.36 -0.07 0.00 -0.01 0.00 0.00 39.48 39.23 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jvm h ALA 69 N 3.10 0.30 0.00 4.37 0.00 -0.60 -3.02 119.26 123.41 2jvm h ALA 69 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 2jvm h ALA 69 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jvm h ALA 69 CO 0.00 0.69 -0.69 0.00 0.00 0.00 0.00 179.25 179.25 2jvm h ALA 70 N 0.55 0.66 -0.01 0.00 0.00 -1.47 -3.48 119.26 115.51 2jvm h ALA 70 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2jvm h ALA 70 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jvm h ALA 70 CO 0.17 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.28 2jvm n ALA 71 N -2.32 0.00 0.00 0.00 0.00 -0.87 -3.47 120.51 113.85 2jvm n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jvm n ALA 71 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2jvm n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jvm n LYS 72 N 0.00 0.00 -2.79 0.00 3.00 -1.26 -4.84 118.16 112.27 2jvm n LYS 72 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 2jvm n LYS 72 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jvm s LEU 73 N -1.68 3.43 0.01 3.14 1.43 -1.23 -4.93 118.68 118.86 2jvm s LEU 73 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2jvm s LEU 73 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2jvm s LEU 73 CO 0.00 -0.96 0.00 1.21 0.23 0.00 0.00 176.35 176.83 2jvm n GLU 74 N -2.22 -0.96 -3.70 1.70 2.13 -1.26 -4.95 120.64 111.37 2jvm n GLU 74 Ca 0.05 1.10 -0.29 0.00 0.66 0.00 0.00 57.16 58.69 2jvm n GLU 74 Cb 0.59 -1.13 -0.12 0.00 0.27 0.00 0.00 31.44 31.04 2jvm n GLU 74 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jvm s HIS 75 N -0.10 2.15 0.27 4.31 -3.43 -1.26 -5.08 115.29 112.14 2jvm s HIS 75 Ca 0.00 -2.59 -0.01 0.00 -0.80 0.00 0.00 55.06 51.66 2jvm s HIS 75 Cb 0.00 -1.90 0.01 0.00 -1.43 0.00 0.00 32.58 29.26 2jvm s HIS 75 CO 0.00 -0.75 0.37 0.72 -2.00 0.00 0.00 174.74 173.08 2jvm n HIS 76 N 3.13 -1.19 -2.92 0.38 -0.00 -1.26 -5.09 115.22 108.28 2jvm n HIS 76 Ca 0.14 -1.81 -0.44 0.00 -0.00 0.00 0.00 57.72 55.61 2jvm n HIS 76 Cb 0.37 0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.74 2jvm n HIS 76 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jvm s HIS 77 N -3.39 3.04 -1.19 4.41 3.76 -1.26 -4.95 115.29 115.71 2jvm s HIS 77 Ca 0.23 -1.24 -0.21 0.00 -0.15 0.00 0.00 55.06 53.69 2jvm s HIS 77 Cb -0.01 -4.28 0.01 0.00 1.11 0.00 0.00 32.58 29.42 2jvm s HIS 77 CO 0.16 -1.51 1.76 -1.58 -0.85 0.00 0.00 174.74 172.72 2jvm s HIS 78 N 2.92 2.43 0.00 1.40 2.46 -1.26 -4.03 115.29 119.22 2jvm s HIS 78 Ca 0.30 -0.75 0.00 0.00 0.47 0.00 0.00 55.06 55.09 2jvm s HIS 78 Cb -0.07 -4.49 0.00 0.00 -0.13 0.00 0.00 32.58 27.89 2jvm s HIS 78 CO -0.06 -1.67 0.00 1.58 -2.47 0.00 0.00 174.74 172.13 2jvm n HIS 79 N 10.55 0.00 -0.41 3.88 -0.00 -1.26 -5.29 115.22 122.68 2jvm n HIS 79 Ca 0.44 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.62 2jvm n HIS 79 Cb 0.47 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 2jvm n HIS 79 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41