#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 0.44 0.07 3.17 3.52 -1.26 -5.14 118.95 119.75 2jvm s ARG 2 Ca 0.00 0.56 0.08 0.00 -0.13 0.00 0.00 55.73 56.23 2jvm s ARG 2 Cb 0.00 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 2jvm s ARG 2 CO 0.00 -0.77 -0.18 0.50 -0.81 0.00 0.00 175.30 174.03 2jvm s ARG 3 N 2.65 1.95 -0.15 5.12 3.52 -1.26 -5.07 118.95 125.71 2jvm s ARG 3 Ca 0.14 -1.06 -0.29 0.00 -0.13 0.00 0.00 55.73 54.39 2jvm s ARG 3 Cb -0.14 -2.15 -0.06 0.00 -1.56 0.00 0.00 34.95 31.04 2jvm s ARG 3 CO -0.22 0.52 2.15 -0.65 -0.81 0.00 0.00 175.30 176.29 2jvm s GLN 4 N -1.71 3.40 0.42 5.12 -0.21 -1.26 -4.95 119.66 120.47 2jvm s GLN 4 Ca 0.16 2.18 -0.11 0.00 0.02 0.00 0.00 55.36 57.61 2jvm s GLN 4 Cb -0.10 -4.32 -0.06 0.00 1.00 0.00 0.00 33.01 29.53 2jvm s GLN 4 CO 0.07 -1.80 0.79 -1.25 -2.12 0.00 0.00 175.29 170.98 2jvm s PRO 5 N 5.84 3.78 0.00 2.91 0.05 -1.26 -4.98 135.00 141.34 2jvm s PRO 5 Ca 0.97 0.50 0.24 0.00 0.05 0.00 0.00 61.00 62.76 2jvm s PRO 5 Cb -0.36 -2.37 0.53 0.00 0.05 0.00 0.00 34.50 32.36 2jvm s PRO 5 CO 0.37 -0.07 1.45 1.63 0.05 0.00 0.00 177.00 180.43 2jvm n LYS 6 N -1.37 2.14 -2.43 4.56 4.01 -1.26 -4.93 118.16 118.87 2jvm n LYS 6 Ca 0.03 -1.69 -0.19 0.00 -0.51 0.00 0.00 58.31 55.94 2jvm n LYS 6 Cb 0.54 -1.47 -0.00 0.00 -0.51 0.00 0.00 35.03 33.59 2jvm n LYS 6 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2jvm n THR 7 N 0.97 -1.03 -3.80 -0.18 -1.04 -1.26 -4.95 114.28 103.00 2jvm n THR 7 Ca 0.17 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.89 2jvm n THR 7 Cb 0.50 -2.86 -0.12 0.00 -1.82 0.00 0.00 70.33 66.03 2jvm n THR 7 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jvm s ARG 8 N -5.04 1.85 0.00 -2.82 0.52 -1.26 -4.79 118.95 107.41 2jvm s ARG 8 Ca 0.03 -2.68 0.20 0.00 -0.52 0.00 0.00 55.73 52.76 2jvm s ARG 8 Cb -0.01 -2.86 0.26 0.00 0.52 0.00 0.00 34.95 32.85 2jvm s ARG 8 CO 0.04 -1.23 1.22 0.94 0.02 0.00 0.00 175.30 176.29 2jvm n GLN 9 N 2.75 2.03 -2.64 3.54 7.27 -1.26 -4.96 117.38 124.11 2jvm n GLN 9 Ca 0.15 -1.90 -0.39 0.00 0.07 0.00 0.00 57.00 54.93 2jvm n GLN 9 Cb 0.36 -1.41 -0.05 0.00 2.41 0.00 0.00 30.24 31.54 2jvm n GLN 9 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jvm s GLU 10 N -1.51 4.69 -1.08 3.69 2.56 -1.26 -4.95 118.70 120.84 2jvm s GLU 10 Ca 0.28 1.58 -0.22 0.00 0.00 0.00 0.00 54.97 56.61 2jvm s GLU 10 Cb 0.18 -3.13 -0.00 0.00 2.00 0.00 0.00 34.13 33.18 2jvm s GLU 10 CO 0.26 0.33 1.75 0.45 -0.56 0.00 0.00 175.26 177.49 2jvm s SER 11 N -1.16 5.90 0.91 -1.70 0.15 -1.26 -4.88 113.70 111.66 2jvm s SER 11 Ca 0.45 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2jvm s SER 11 Cb -0.27 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2jvm s SER 11 CO 0.34 -2.10 0.00 0.00 1.20 0.00 0.00 173.24 172.68 2jvm n ALA 12 N 11.30 0.00 -2.11 5.45 0.00 -1.26 -4.79 120.51 129.10 2jvm n ALA 12 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2jvm n ALA 12 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2jvm n ALA 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jvm s ARG 13 N 0.00 2.86 0.21 0.00 0.52 -1.26 -5.09 118.95 116.19 2jvm s ARG 13 Ca 0.00 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 53.69 2jvm s ARG 13 Cb 0.00 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.65 2jvm s ARG 13 CO 0.00 -0.20 1.07 0.00 0.02 0.00 0.00 175.30 176.18 2jvm s MET 14 N -4.30 4.66 -0.49 3.54 0.23 -1.26 -5.01 119.30 116.67 2jvm s MET 14 Ca 0.53 1.69 -0.12 0.00 -1.03 0.00 0.00 55.69 56.76 2jvm s MET 14 Cb -0.09 -3.26 0.11 0.00 -1.53 0.00 0.00 34.83 30.06 2jvm s MET 14 CO 0.32 0.20 0.39 -1.12 -2.03 0.00 0.00 175.02 172.78 2jvm s SER 15 N -0.50 5.89 0.26 -1.18 0.01 -1.26 -5.06 113.70 111.86 2jvm s SER 15 Ca 0.46 -1.76 0.02 0.00 1.31 0.00 0.00 55.95 55.97 2jvm s SER 15 Cb -0.29 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2jvm s SER 15 CO 0.36 -0.72 0.43 -0.63 0.41 0.00 0.00 173.24 173.09 2jvm s ILE 16 N 1.47 5.19 0.00 1.44 1.09 -1.26 -4.98 121.20 124.15 2jvm s ILE 16 Ca 0.04 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2jvm s ILE 16 Cb -0.27 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 2jvm s ILE 16 CO 0.02 -0.35 0.00 -0.62 -0.10 0.00 0.00 174.94 173.89 2jvm n GLU 17 N -1.26 0.00 -3.60 2.79 -0.58 -1.26 -4.66 120.64 112.07 2jvm n GLU 17 Ca -0.06 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.39 2jvm n GLU 17 Cb 0.56 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.28 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jvm s ALA 18 N -1.88 1.02 0.20 0.62 0.00 -1.26 -5.12 121.76 115.33 2jvm s ALA 18 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 51.96 50.18 2jvm s ALA 18 Cb 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 23.12 21.46 2jvm s ALA 18 CO 0.00 -1.74 1.36 -0.35 0.00 0.00 0.00 175.76 175.03 2jvm n PRO 19 N 4.87 1.73 -2.99 0.00 -0.04 -1.26 -4.91 135.00 132.40 2jvm n PRO 19 Ca -0.02 0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 63.63 2jvm n PRO 19 Cb 0.41 -2.25 -0.05 0.00 -0.04 0.00 0.00 33.50 31.57 2jvm n PRO 19 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2jvm s GLU 20 N -0.12 3.21 -0.30 0.54 -1.05 -1.26 -5.01 118.70 114.71 2jvm s GLU 20 Ca 0.73 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.79 2jvm s GLU 20 Cb -0.74 -4.10 -0.04 0.00 -0.44 0.00 0.00 34.13 28.82 2jvm s GLU 20 CO 0.48 -1.41 0.23 0.99 0.95 0.00 0.00 175.26 176.50 2jvm s THR 21 N 3.34 5.29 -0.16 1.83 2.01 -1.26 -2.40 115.64 124.28 2jvm s THR 21 Ca 0.22 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 2jvm s THR 21 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2jvm s THR 21 CO 0.15 0.16 0.36 -0.69 -0.69 0.00 0.00 174.62 173.91 2jvm s VAL 22 N 1.79 5.25 -0.15 3.82 1.01 0.15 -4.95 120.40 127.32 2jvm s VAL 22 Ca 0.08 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 2jvm s VAL 22 Cb -0.16 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2jvm s VAL 22 CO 0.11 0.34 0.78 -0.69 0.00 0.00 0.00 175.10 175.64 2jvm s VAL 23 N 0.74 4.93 0.21 2.92 1.01 -1.26 -1.43 120.40 127.51 2jvm s VAL 23 Ca 0.19 1.55 0.09 0.00 0.00 0.00 0.00 61.98 63.81 2jvm s VAL 23 Cb -0.14 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2jvm s VAL 23 CO 0.06 0.08 -0.18 0.68 0.00 0.00 0.00 175.10 175.75 2jvm s VAL 24 N 1.84 1.99 -0.69 2.92 -7.23 0.54 -4.92 120.40 114.86 2jvm s VAL 24 Ca 0.37 -2.14 0.12 0.00 -1.81 0.00 0.00 61.98 58.53 2jvm s VAL 24 Cb -0.17 -2.04 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 2jvm s VAL 24 CO 0.14 -0.41 0.55 -0.24 -0.31 0.00 0.00 175.10 174.83 2jvm n SER 25 N -0.13 0.74 -4.69 4.85 2.88 -1.26 -0.69 113.62 115.31 2jvm n SER 25 Ca -0.10 -0.87 -0.34 0.00 -1.33 0.00 0.00 58.87 56.23 2jvm n SER 25 Cb 0.59 0.88 -0.09 0.00 -0.75 0.00 0.00 64.21 64.84 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 -2.00 4.32 -0.11 2.46 2.01 -1.26 -4.96 115.64 116.10 2jvm s THR 26 Ca 0.06 -0.35 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 2jvm s THR 26 Cb 0.09 -2.86 -0.27 0.00 0.01 0.00 0.00 72.50 69.47 2jvm s THR 26 CO 0.45 0.53 0.68 -0.50 -0.69 0.00 0.00 174.62 175.08 2jvm h TRP 27 N 4.86 0.26 -2.75 4.92 4.06 -1.93 -3.41 115.95 121.95 2jvm h TRP 27 Ca -0.50 -0.19 -0.66 0.00 2.06 0.00 0.00 58.89 59.60 2jvm h TRP 27 Cb 1.19 -0.01 -0.16 0.00 -1.00 0.00 0.00 29.16 29.17 2jvm h TRP 27 CO 0.63 1.28 0.38 0.15 -3.56 0.00 0.00 178.44 177.33 2jvm s LYS 28 N -2.36 3.09 0.02 0.49 1.02 -1.26 -0.20 119.74 120.54 2jvm s LYS 28 Ca -0.19 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 54.81 2jvm s LYS 28 Cb 0.01 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2jvm s LYS 28 CO 0.73 -1.71 0.00 0.14 -0.92 0.00 0.00 175.35 173.59 2jvm s VAL 29 N 3.55 4.13 -0.58 3.17 -7.23 -0.56 -4.90 120.40 117.98 2jvm s VAL 29 Ca 0.18 -0.70 -0.21 0.00 -1.81 0.00 0.00 61.98 59.44 2jvm s VAL 29 Cb -0.20 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 33.94 2jvm s VAL 29 CO 0.09 0.31 0.80 0.00 -0.31 0.00 0.00 175.10 175.99 2jvm s ALA 30 N -1.15 3.27 0.67 1.32 0.00 -1.26 -0.25 121.76 124.36 2jvm s ALA 30 Ca 0.21 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 2jvm s ALA 30 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2jvm s ALA 30 CO 0.12 -2.39 1.09 0.00 0.00 0.00 0.00 175.76 174.59 2jvm s ASP 32 N -2.88 -0.45 0.32 0.00 -1.08 -1.26 -1.98 116.67 109.34 2jvm s ASP 32 Ca 0.64 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.57 2jvm s ASP 32 Cb -0.18 0.57 1.02 0.00 -1.46 0.00 0.00 42.92 42.88 2jvm s ASP 32 CO 0.45 -0.05 1.44 0.61 0.52 0.00 0.00 175.17 178.14 2jvm n GLY 33 N 3.75 -0.91 0.00 2.66 0.00 -1.22 -4.87 105.19 104.60 2jvm n GLY 33 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 -1.33 -1.22 3.80 -0.02 0.00 -0.76 -4.57 105.19 101.10 2jvm n GLY 34 Ca 0.30 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.71 4.37 7.79 1.61 2.02 -1.26 -4.64 118.70 127.88 2jvm s GLU 35 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2jvm s GLU 35 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2jvm s GLU 35 CO 0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2jvm n GLY 36 N -0.11 3.31 1.55 -1.39 0.00 -1.26 -2.20 105.19 105.09 2jvm n GLY 36 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 11.55 3.77 -2.73 4.61 0.00 -1.26 -4.93 120.51 131.52 2jvm n ALA 37 Ca 0.00 -2.21 -0.36 0.00 0.00 0.00 0.00 53.44 50.87 2jvm n ALA 37 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.87 4.25 0.00 0.00 1.43 -0.93 -4.90 118.68 115.66 2jvm s LEU 38 Ca 0.50 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2jvm s LEU 38 Cb 0.40 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2jvm s LEU 38 CO 0.12 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2jvm n GLY 39 N 3.26 0.96 3.29 -3.19 0.00 -1.26 -1.83 105.19 106.42 2jvm n GLY 39 Ca -0.14 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.27 0.88 1.61 -3.43 -1.26 -4.91 115.29 108.45 2jvm s HIS 40 Ca 0.00 -0.66 -0.13 0.00 -0.80 0.00 0.00 55.06 53.48 2jvm s HIS 40 Cb 0.00 -0.04 0.06 0.00 -1.43 0.00 0.00 32.58 31.17 2jvm s HIS 40 CO 0.00 -0.65 0.76 -2.30 -2.00 0.00 0.00 174.74 170.55 2jvm n PRO 41 N -0.16 -0.14 -2.30 -0.38 -0.02 -1.26 -3.43 135.00 127.32 2jvm n PRO 41 Ca -0.11 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 2jvm n PRO 41 Cb 0.63 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2jvm n PRO 41 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2jvm s ARG 42 N -3.83 4.30 0.25 -0.52 3.52 -1.26 -4.67 118.95 116.73 2jvm s ARG 42 Ca 0.64 1.87 0.09 0.00 -0.13 0.00 0.00 55.73 58.20 2jvm s ARG 42 Cb -0.25 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 2jvm s ARG 42 CO 0.60 -0.55 -0.15 0.08 -0.81 0.00 0.00 175.30 174.47 2jvm s VAL 43 N 2.46 2.02 -0.21 7.11 1.01 -0.84 -4.94 120.40 127.02 2jvm s VAL 43 Ca 0.61 -2.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 2jvm s VAL 43 Cb -0.29 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2jvm s VAL 43 CO 0.24 -0.47 0.04 0.26 0.00 0.00 0.00 175.10 175.17 2jvm s TRP 44 N -2.79 3.11 0.38 5.22 0.52 -1.26 0.63 118.94 124.74 2jvm s TRP 44 Ca 0.27 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 56.19 2jvm s TRP 44 Cb -0.02 -2.12 -0.06 0.00 -1.15 0.00 0.00 33.47 30.13 2jvm s TRP 44 CO 0.11 -0.14 0.09 -0.51 0.02 0.00 0.00 176.95 176.52 2jvm s LEU 45 N 0.95 3.05 -0.16 2.99 1.43 0.65 -4.96 118.68 122.63 2jvm s LEU 45 Ca 0.03 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.03 2jvm s LEU 45 Cb -0.14 -1.36 0.07 0.00 0.03 0.00 0.00 46.19 44.79 2jvm s LEU 45 CO 0.02 -0.40 0.17 -0.44 0.23 0.00 0.00 176.35 175.94 2jvm s SER 46 N -3.80 1.41 -0.05 2.29 0.01 -1.26 -1.50 113.70 110.80 2jvm s SER 46 Ca 0.38 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 2jvm s SER 46 Cb 0.03 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2jvm s SER 46 CO 0.21 -0.31 1.08 -0.63 0.41 0.00 0.00 173.24 174.01 2jvm s ILE 47 N 2.27 4.55 0.27 1.44 1.01 0.72 -4.97 121.20 126.50 2jvm s ILE 47 Ca 0.05 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 2jvm s ILE 47 Cb -0.15 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 2jvm s ILE 47 CO -0.09 0.05 1.54 -2.84 0.00 0.00 0.00 174.94 173.60 2jvm s PRO 48 N 1.76 4.17 0.39 2.79 0.02 -1.26 -4.85 135.00 138.03 2jvm s PRO 48 Ca 0.53 2.48 0.27 0.00 0.02 0.00 0.00 61.00 64.29 2jvm s PRO 48 Cb -0.22 -3.06 0.82 0.00 0.02 0.00 0.00 34.50 32.06 2jvm s PRO 48 CO 0.23 -0.56 1.76 0.45 -0.33 0.00 0.00 177.00 178.55 2jvm h HIS 49 N 5.00 0.00 0.00 6.54 3.86 -1.95 -1.50 115.15 127.10 2jvm h HIS 49 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2jvm h HIS 49 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2jvm h HIS 49 CO 0.59 0.00 -0.45 1.05 0.86 0.00 0.00 177.93 179.99 2jvm h GLU 50 N 0.00 0.00 0.00 2.45 9.09 -1.98 -3.38 114.58 120.75 2jvm h GLU 50 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 2jvm h GLU 50 Cb 0.71 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.78 2jvm h GLU 50 CO 0.00 0.00 -1.69 0.25 0.05 0.00 0.00 179.01 177.62 2jvm n THR 51 N -2.59 1.51 -0.04 -1.06 -2.24 -1.07 -5.01 114.28 103.78 2jvm n THR 51 Ca 0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2jvm n THR 51 Cb 0.50 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 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 1.37 0.38 3.32 3.38 0.00 -0.59 -5.04 105.19 108.01 2jvm n GLY 52 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.11 0.16 -0.08 1.61 -0.71 -1.26 -0.90 117.98 114.68 2jvm s PHE 53 Ca 0.00 -0.53 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 2jvm s PHE 53 Cb 0.00 0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2jvm s PHE 53 CO 0.00 -0.69 0.30 0.54 -1.34 0.00 0.00 175.22 174.03 2jvm s VAL 54 N -3.90 0.02 -0.15 -2.49 0.11 0.80 -4.49 120.40 110.30 2jvm s VAL 54 Ca 0.10 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 2jvm s VAL 54 Cb 0.03 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2jvm s VAL 54 CO -0.06 -0.10 0.23 -1.61 -3.33 0.00 0.00 175.10 170.23 2jvm s GLU 55 N -0.38 4.05 0.15 1.54 2.02 -1.26 -1.34 118.70 123.48 2jvm s GLU 55 Ca -0.05 -0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 2jvm s GLU 55 Cb -0.03 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.77 2jvm s GLU 55 CO 0.02 0.40 1.06 0.00 0.02 0.00 0.00 175.26 176.76 2jvm n GLY 57 N 2.19 5.28 2.13 0.00 0.00 -1.26 -4.39 105.19 109.14 2jvm n GLY 57 Ca 0.03 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2jvm n GLY 57 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jvm n TYR 58 N -0.65 -3.56 -3.27 1.61 9.36 -1.26 -5.12 117.16 114.27 2jvm n TYR 58 Ca 0.55 0.97 -0.19 0.00 3.32 0.00 0.00 57.90 62.55 2jvm n TYR 58 Cb 0.76 2.45 0.00 0.00 -0.63 0.00 0.00 39.34 41.92 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jvm n ASP 60 N -1.75 0.93 -4.69 0.00 2.03 -1.26 -4.37 116.55 107.44 2jvm n ASP 60 Ca 0.03 -0.73 -0.42 0.00 0.52 0.00 0.00 54.79 54.18 2jvm n ASP 60 Cb 0.58 0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 41.23 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jvm s ARG 61 N -2.71 4.20 -0.12 -0.67 0.52 -1.26 -4.76 118.95 114.15 2jvm s ARG 61 Ca 0.18 2.34 -0.07 0.00 -0.52 0.00 0.00 55.73 57.67 2jvm s ARG 61 Cb 0.18 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2jvm s ARG 61 CO 0.61 -0.72 0.13 0.50 0.02 0.00 0.00 175.30 175.84 2jvm s ARG 62 N 2.48 3.40 -0.13 3.54 3.52 -1.01 -3.77 118.95 126.99 2jvm s ARG 62 Ca 0.74 -0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 56.16 2jvm s ARG 62 Cb -0.40 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2jvm s ARG 62 CO 0.32 0.77 -0.08 0.71 -0.81 0.00 0.00 175.30 176.21 2jvm s TYR 63 N -1.00 2.92 -0.01 5.12 2.02 -0.45 0.30 117.35 126.26 2jvm s TYR 63 Ca 0.15 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2jvm s TYR 63 Cb -0.12 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 2jvm s TYR 63 CO 0.04 -0.04 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.40 2jvm s ILE 64 N 0.17 0.59 0.28 2.71 2.07 -0.51 -0.14 121.20 126.37 2jvm s ILE 64 Ca -0.04 -0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 58.59 2jvm s ILE 64 Cb -0.14 -0.50 -0.09 0.00 0.13 0.00 0.00 42.46 41.86 2jvm s ILE 64 CO 0.04 0.17 1.05 -2.28 -1.91 0.00 0.00 174.94 172.01 2jvm s HIS 65 N -0.17 3.65 0.53 3.50 5.65 -0.08 -0.34 115.29 128.03 2jvm s HIS 65 Ca 0.03 1.75 0.19 0.00 0.25 0.00 0.00 55.06 57.28 2jvm s HIS 65 Cb -0.03 -3.19 1.33 0.00 -1.18 0.00 0.00 32.58 29.52 2jvm s HIS 65 CO -0.00 -0.30 2.11 1.05 -0.65 0.00 0.00 174.74 176.95 2jvm h GLU 66 N 3.74 0.00 0.00 2.88 4.11 -1.25 -1.51 114.58 122.55 2jvm h GLU 66 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 2jvm h GLU 66 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jvm h GLU 66 CO 0.67 0.00 -0.26 0.66 0.07 0.00 0.00 179.01 180.15 2jvm h SER 67 N 0.00 0.00 1.31 3.06 4.64 -1.92 -2.47 113.55 118.18 2jvm h SER 67 Ca 0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2jvm h SER 67 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jvm h SER 67 CO -0.00 0.26 -0.22 0.15 -0.87 0.00 0.00 176.83 176.16 2jvm h PHE 68 N 0.00 0.00 -0.32 4.77 3.57 -1.60 -2.85 116.94 120.52 2jvm h PHE 68 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jvm h PHE 68 Cb 0.68 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2jvm h PHE 68 CO 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 178.31 176.30 2jvm n ALA 69 N -2.18 2.38 -0.35 2.41 0.00 -0.96 -4.27 120.51 117.55 2jvm n ALA 69 Ca 0.01 -0.96 0.10 0.00 0.00 0.00 0.00 53.44 52.60 2jvm n ALA 69 Cb 0.51 -0.70 0.28 0.00 0.00 0.00 0.00 19.45 19.54 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 1.17 2.38 -2.69 0.00 0.00 -1.03 -4.88 120.51 115.46 2jvm n ALA 70 Ca 0.16 -1.29 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 2jvm n ALA 70 Cb 0.52 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm s ALA 71 N -1.07 3.37 -0.05 0.00 0.00 -1.25 -5.01 121.76 117.74 2jvm s ALA 71 Ca 0.43 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 2jvm s ALA 71 Cb 0.23 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2jvm s ALA 71 CO 0.28 -1.95 0.55 0.21 0.00 0.00 0.00 175.76 174.86 2jvm s LYS 72 N 2.67 0.90 0.71 0.00 2.20 -1.26 -5.14 119.74 119.83 2jvm s LYS 72 Ca 0.17 0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 2jvm s LYS 72 Cb -0.18 0.42 0.10 0.00 -1.51 0.00 0.00 37.83 36.66 2jvm s LYS 72 CO 0.14 -0.26 1.00 -0.51 -0.36 0.00 0.00 175.35 175.36 2jvm s LEU 73 N -1.09 2.94 0.00 5.43 1.43 -1.26 -5.07 118.68 121.06 2jvm s LEU 73 Ca -0.11 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2jvm s LEU 73 Cb -0.02 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2jvm s LEU 73 CO 0.07 -1.75 0.00 -0.62 0.23 0.00 0.00 176.35 174.29 2jvm n GLU 74 N -2.89 0.00 -3.96 1.70 1.02 -1.26 -5.03 120.64 110.22 2jvm n GLU 74 Ca 0.11 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 2jvm n GLU 74 Cb 0.60 -0.61 -0.11 0.00 -0.02 0.00 0.00 31.44 31.30 2jvm n GLU 74 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jvm s HIS 75 N -0.61 0.22 -0.28 -0.32 3.76 -1.26 -5.14 115.29 111.66 2jvm s HIS 75 Ca 0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2jvm s HIS 75 Cb 0.00 -0.17 0.09 0.00 1.11 0.00 0.00 32.58 33.61 2jvm s HIS 75 CO 0.00 -0.20 0.08 -3.38 -0.85 0.00 0.00 174.74 170.38 2jvm s HIS 76 N -1.43 1.48 -0.05 1.40 -3.43 -1.26 -5.11 115.29 106.88 2jvm s HIS 76 Ca -0.16 -1.47 -0.02 0.00 -0.80 0.00 0.00 55.06 52.62 2jvm s HIS 76 Cb -0.10 -1.48 -0.04 0.00 -1.43 0.00 0.00 32.58 29.53 2jvm s HIS 76 CO -0.01 -0.81 0.07 -1.01 -2.00 0.00 0.00 174.74 170.99 2jvm s HIS 77 N 1.70 3.32 0.00 0.38 3.76 -1.26 -4.97 115.29 118.22 2jvm s HIS 77 Ca 0.06 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2jvm s HIS 77 Cb -0.17 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2jvm s HIS 77 CO -0.21 0.57 0.17 -2.39 -0.85 0.00 0.00 174.74 172.03 2jvm n HIS 78 N 1.59 0.00 -3.84 1.40 1.44 -1.26 -5.06 115.22 109.49 2jvm n HIS 78 Ca -0.16 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.38 2jvm n HIS 78 Cb 0.53 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.48 2jvm n HIS 78 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jvm s HIS 79 N 0.00 0.23 -2.95 -1.40 5.65 -1.26 -5.40 115.29 110.15 2jvm s HIS 79 Ca 0.00 0.06 0.24 0.00 0.25 0.00 0.00 55.06 55.61 2jvm s HIS 79 Cb 0.00 -0.41 0.27 0.00 -1.18 0.00 0.00 32.58 31.26 2jvm s HIS 79 CO 0.00 -0.14 1.30 0.72 -0.65 0.00 0.00 174.74 175.97