#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 3.26 0.14 3.17 1.81 -1.26 -5.02 118.95 121.06 2jvm s ARG 2 Ca 0.00 -0.39 0.03 0.00 -1.72 0.00 0.00 55.73 53.65 2jvm s ARG 2 Cb 0.00 -4.11 -0.04 0.00 -0.45 0.00 0.00 34.95 30.35 2jvm s ARG 2 CO 0.00 -1.67 0.25 -0.98 -0.68 0.00 0.00 175.30 172.22 2jvm s ARG 3 N 4.26 3.34 -0.25 3.54 1.70 -1.26 -5.05 118.95 125.23 2jvm s ARG 3 Ca 0.29 -0.63 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 2jvm s ARG 3 Cb -0.13 -2.91 -0.01 0.00 -0.57 0.00 0.00 34.95 31.33 2jvm s ARG 3 CO 0.17 0.52 1.38 -0.65 -1.08 0.00 0.00 175.30 175.64 2jvm s GLN 4 N -3.14 3.95 0.22 3.89 -0.21 -1.26 -4.95 119.66 118.15 2jvm s GLN 4 Ca 0.34 1.44 -0.32 0.00 0.02 0.00 0.00 55.36 56.84 2jvm s GLN 4 Cb -0.11 -3.90 -0.12 0.00 1.00 0.00 0.00 33.01 29.88 2jvm s GLN 4 CO 0.27 -1.09 1.64 -2.30 -2.12 0.00 0.00 175.29 171.70 2jvm n PRO 5 N 7.28 2.59 -3.09 2.91 -0.02 -1.26 -4.96 135.00 138.45 2jvm n PRO 5 Ca 0.16 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 62.14 2jvm n PRO 5 Cb 0.46 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 2jvm n PRO 5 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2jvm s LYS 6 N 0.57 3.44 -0.88 -0.52 -2.85 -1.26 -5.01 119.74 113.24 2jvm s LYS 6 Ca 0.72 -0.18 -0.19 0.00 -1.00 0.00 0.00 55.97 55.32 2jvm s LYS 6 Cb -0.55 -3.90 0.12 0.00 -2.06 0.00 0.00 37.83 31.45 2jvm s LYS 6 CO 0.39 -0.93 1.09 0.99 0.10 0.00 0.00 175.35 176.99 2jvm s THR 7 N 2.85 4.66 -0.58 3.79 2.01 -1.26 -4.97 115.64 122.14 2jvm s THR 7 Ca 0.24 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 2jvm s THR 7 Cb -0.14 -4.76 0.12 0.00 0.01 0.00 0.00 72.50 67.73 2jvm s THR 7 CO 0.18 -1.49 0.62 -0.60 -0.69 0.00 0.00 174.62 172.64 2jvm s ARG 8 N 2.94 3.05 0.00 4.92 3.52 -1.26 -4.86 118.95 127.25 2jvm s ARG 8 Ca 0.30 -1.53 0.18 0.00 -0.13 0.00 0.00 55.73 54.55 2jvm s ARG 8 Cb -0.07 -4.30 0.52 0.00 -1.56 0.00 0.00 34.95 29.54 2jvm s ARG 8 CO -0.06 -1.45 1.41 1.04 -0.81 0.00 0.00 175.30 175.44 2jvm n GLN 9 N 5.80 2.03 -2.39 5.12 6.02 -1.26 -4.85 117.38 127.84 2jvm n GLN 9 Ca -0.10 -1.57 -0.42 0.00 -0.01 0.00 0.00 57.00 54.89 2jvm n GLN 9 Cb 0.42 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 2jvm n GLN 9 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jvm s GLU 10 N -1.53 3.45 -0.33 -1.09 2.02 -1.26 -4.96 118.70 115.00 2jvm s GLU 10 Ca 0.32 0.66 0.01 0.00 0.02 0.00 0.00 54.97 55.99 2jvm s GLU 10 Cb 0.17 -4.07 0.10 0.00 0.10 0.00 0.00 34.13 30.44 2jvm s GLU 10 CO 0.24 -1.74 0.09 -1.12 0.02 0.00 0.00 175.26 172.75 2jvm s SER 11 N 4.08 4.25 -0.15 -0.19 0.01 -1.26 -5.11 113.70 115.34 2jvm s SER 11 Ca 0.56 -1.87 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 2jvm s SER 11 Cb -0.12 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 2jvm s SER 11 CO 0.29 -0.39 0.35 0.00 0.41 0.00 0.00 173.24 173.89 2jvm s ALA 12 N 1.30 3.55 -0.18 1.44 0.00 -1.26 -5.06 121.76 121.56 2jvm s ALA 12 Ca 0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 2jvm s ALA 12 Cb -0.18 -2.47 0.08 0.00 0.00 0.00 0.00 23.12 20.54 2jvm s ALA 12 CO -0.18 0.06 0.40 0.50 0.00 0.00 0.00 175.76 176.54 2jvm s ARG 13 N 0.53 0.32 -0.38 0.00 6.06 -1.26 -5.13 118.95 119.09 2jvm s ARG 13 Ca 0.19 0.93 -0.12 0.00 -2.50 0.00 0.00 55.73 54.23 2jvm s ARG 13 Cb -0.14 0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.09 2jvm s ARG 13 CO 0.06 -0.23 0.23 -1.64 -2.50 0.00 0.00 175.30 171.22 2jvm s MET 14 N 2.23 2.90 -0.55 5.12 -1.94 -1.26 -4.97 119.30 120.83 2jvm s MET 14 Ca -0.04 -1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 52.86 2jvm s MET 14 Cb -0.11 -3.79 0.08 0.00 2.01 0.00 0.00 34.83 33.02 2jvm s MET 14 CO -0.12 -0.69 2.71 0.43 -0.01 0.00 0.00 175.02 177.34 2jvm n SER 15 N 5.04 6.64 -1.18 3.03 7.64 -1.26 -4.96 113.62 128.57 2jvm n SER 15 Ca -0.12 -3.22 0.15 0.00 1.01 0.00 0.00 58.87 56.69 2jvm n SER 15 Cb 0.46 -1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.36 2jvm n SER 15 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2jvm n ILE 16 N 0.90 -0.44 -2.10 0.44 5.41 -1.26 -4.59 119.36 117.73 2jvm n ILE 16 Ca 0.50 0.61 0.01 0.00 1.00 0.00 0.00 62.75 64.87 2jvm n ILE 16 Cb 0.51 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 2jvm n ILE 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2jvm n GLU 17 N -3.94 0.00 -3.32 0.38 0.28 -1.26 -4.96 120.64 107.81 2jvm n GLU 17 Ca -0.06 -1.18 -0.15 0.00 -0.16 0.00 0.00 57.16 55.61 2jvm n GLU 17 Cb 0.56 -0.40 -0.07 0.00 1.43 0.00 0.00 31.44 32.96 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jvm s ALA 18 N 0.00 -0.65 0.14 -1.84 0.00 -1.26 -5.13 121.76 113.02 2jvm s ALA 18 Ca 0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2jvm s ALA 18 Cb 0.07 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2jvm s ALA 18 CO -0.03 -2.16 0.35 -1.25 0.00 0.00 0.00 175.76 172.67 2jvm s PRO 19 N 1.39 3.57 -0.73 0.00 0.04 -1.26 -5.03 135.00 132.99 2jvm s PRO 19 Ca 0.18 -0.18 -0.26 0.00 0.04 0.00 0.00 61.00 60.78 2jvm s PRO 19 Cb -0.13 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 2jvm s PRO 19 CO -0.03 0.48 1.88 -1.21 0.04 0.00 0.00 177.00 178.15 2jvm s GLU 20 N -2.73 2.62 -0.00 4.56 0.41 -1.26 -4.91 118.70 117.39 2jvm s GLU 20 Ca 0.40 0.24 0.01 0.00 -0.41 0.00 0.00 54.97 55.20 2jvm s GLU 20 Cb -0.12 -4.65 -0.00 0.00 -1.78 0.00 0.00 34.13 27.58 2jvm s GLU 20 CO 0.26 -2.96 -0.02 0.99 -0.49 0.00 0.00 175.26 173.04 2jvm s THR 21 N 9.35 0.15 -0.12 3.63 2.01 -1.26 -1.42 115.64 127.98 2jvm s THR 21 Ca 0.67 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.59 2jvm s THR 21 Cb -0.10 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 2jvm s THR 21 CO 0.12 0.05 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.29 2jvm s VAL 22 N -0.01 3.17 -0.18 3.82 1.01 -0.49 -4.97 120.40 122.75 2jvm s VAL 22 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2jvm s VAL 22 Cb -0.01 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2jvm s VAL 22 CO -0.00 0.53 0.72 -0.69 0.00 0.00 0.00 175.10 175.66 2jvm s VAL 23 N 0.23 4.96 0.18 2.92 1.01 -1.26 -1.92 120.40 126.52 2jvm s VAL 23 Ca -0.08 1.39 0.11 0.00 0.00 0.00 0.00 61.98 63.41 2jvm s VAL 23 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2jvm s VAL 23 CO 0.05 0.08 -0.23 0.68 0.00 0.00 0.00 175.10 175.68 2jvm s VAL 24 N 1.94 2.40 -1.95 2.92 -7.23 0.11 -4.90 120.40 113.70 2jvm s VAL 24 Ca 0.33 -1.97 0.20 0.00 -1.81 0.00 0.00 61.98 58.73 2jvm s VAL 24 Cb -0.16 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.66 2jvm s VAL 24 CO 0.12 -0.09 1.02 -0.24 -0.31 0.00 0.00 175.10 175.59 2jvm n SER 25 N 0.33 2.03 -4.24 4.85 2.88 -1.26 -0.97 113.62 117.23 2jvm n SER 25 Ca -0.13 -1.51 -0.32 0.00 -1.33 0.00 0.00 58.87 55.58 2jvm n SER 25 Cb 0.56 0.38 -0.17 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.13 2.16 0.38 2.46 2.01 -1.26 -4.97 115.64 114.29 2jvm s THR 26 Ca 0.18 -0.99 0.15 0.00 0.31 0.00 0.00 61.69 61.33 2jvm s THR 26 Cb 0.16 -1.82 0.13 0.00 0.01 0.00 0.00 72.50 70.98 2jvm s THR 26 CO 0.45 0.56 1.87 -0.50 -0.69 0.00 0.00 174.62 176.31 2jvm h TRP 27 N 6.59 0.00 -3.63 4.92 4.06 -1.92 -3.38 115.95 122.59 2jvm h TRP 27 Ca -0.22 0.00 -0.67 0.00 2.06 0.00 0.00 58.89 60.06 2jvm h TRP 27 Cb 1.23 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.21 2jvm h TRP 27 CO 0.47 0.32 -0.27 0.15 -3.56 0.00 0.00 178.44 175.54 2jvm s LYS 28 N -4.23 3.43 0.12 0.49 1.02 -1.26 -0.15 119.74 119.16 2jvm s LYS 28 Ca -0.03 -0.52 0.07 0.00 0.02 0.00 0.00 55.97 55.52 2jvm s LYS 28 Cb 0.14 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2jvm s LYS 28 CO 0.71 -0.61 -0.10 0.08 -0.92 0.00 0.00 175.35 174.51 2jvm s VAL 29 N 2.04 3.33 -0.43 3.17 1.01 -0.38 -4.93 120.40 124.20 2jvm s VAL 29 Ca 0.12 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 2jvm s VAL 29 Cb -0.17 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.72 2jvm s VAL 29 CO 0.12 0.07 0.28 0.00 0.00 0.00 0.00 175.10 175.57 2jvm s ALA 30 N -1.31 3.34 0.30 5.51 0.00 -1.26 -0.65 121.76 127.69 2jvm s ALA 30 Ca 0.22 -2.16 -0.04 0.00 0.00 0.00 0.00 51.96 49.98 2jvm s ALA 30 Cb -0.11 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2jvm s ALA 30 CO 0.14 -1.67 0.56 0.00 0.00 0.00 0.00 175.76 174.78 2jvm s ASP 32 N -3.35 -0.64 0.00 0.00 -1.08 -1.26 -0.74 116.67 109.60 2jvm s ASP 32 Ca 0.43 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 2jvm s ASP 32 Cb -0.10 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.18 2jvm s ASP 32 CO 0.32 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.57 2jvm n GLY 33 N 3.18 -0.49 0.00 2.66 0.00 -0.74 -4.84 105.19 104.96 2jvm n GLY 33 Ca 0.11 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.92 3.70 -0.02 0.00 -0.92 -4.56 105.19 102.48 2jvm n GLY 34 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2jvm n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jvm s GLU 35 N -0.23 2.14 7.98 1.61 -6.30 -1.24 -4.87 118.70 117.78 2jvm s GLU 35 Ca 0.00 -1.93 0.00 0.00 -2.50 0.00 0.00 54.97 50.54 2jvm s GLU 35 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 34.13 32.26 2jvm s GLU 35 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.59 2jvm n GLY 36 N -1.15 3.97 1.04 -1.50 0.00 -1.26 -1.31 105.19 104.97 2jvm n GLY 36 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 12.44 2.47 -2.65 4.61 0.00 -1.26 -4.95 120.51 131.16 2jvm n ALA 37 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 53.44 51.64 2jvm n ALA 37 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.32 4.10 -0.10 0.00 1.43 -0.43 -5.02 118.68 117.35 2jvm s LEU 38 Ca 0.37 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.44 2jvm s LEU 38 Cb 0.22 -3.30 0.04 0.00 0.03 0.00 0.00 46.19 43.18 2jvm s LEU 38 CO 0.22 -0.54 0.46 -0.83 0.23 0.00 0.00 176.35 175.89 2jvm s GLY 39 N 1.27 -0.33 0.09 -3.19 0.00 -1.26 -2.16 107.32 101.74 2jvm s GLY 39 Ca 0.38 1.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.91 2jvm s GLY 39 CO 0.08 0.78 0.47 -2.38 0.00 0.00 0.00 173.10 172.05 2jvm s HIS 40 N -0.54 -0.34 1.11 1.90 -3.43 -1.26 -4.88 115.29 107.84 2jvm s HIS 40 Ca -0.07 0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 54.27 2jvm s HIS 40 Cb -0.03 0.33 0.25 0.00 -1.43 0.00 0.00 32.58 31.69 2jvm s HIS 40 CO 0.04 -0.68 1.06 -2.14 -2.00 0.00 0.00 174.74 171.02 2jvm s PRO 41 N -3.09 -0.45 0.03 -0.38 0.02 -1.26 -1.80 135.00 128.07 2jvm s PRO 41 Ca -0.02 0.51 -0.30 0.00 0.02 0.00 0.00 61.00 61.21 2jvm s PRO 41 Cb 0.00 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.81 2jvm s PRO 41 CO -0.07 -3.32 1.80 0.50 -0.33 0.00 0.00 177.00 175.58 2jvm s ARG 42 N -4.85 4.16 0.12 5.54 3.52 -1.25 -4.42 118.95 121.78 2jvm s ARG 42 Ca 0.67 2.43 0.06 0.00 -0.13 0.00 0.00 55.73 58.77 2jvm s ARG 42 Cb -0.20 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.21 2jvm s ARG 42 CO 0.60 -0.87 -0.15 0.08 -0.81 0.00 0.00 175.30 174.15 2jvm s VAL 43 N 3.81 1.36 -0.25 7.11 1.01 0.08 -4.95 120.40 128.57 2jvm s VAL 43 Ca 0.80 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 2jvm s VAL 43 Cb -0.40 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2jvm s VAL 43 CO 0.36 -0.37 0.06 0.26 0.00 0.00 0.00 175.10 175.40 2jvm s TRP 44 N -2.00 3.08 0.25 5.22 0.52 -1.26 -0.05 118.94 124.69 2jvm s TRP 44 Ca 0.08 -0.51 0.09 0.00 0.02 0.00 0.00 56.10 55.78 2jvm s TRP 44 Cb -0.06 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 2jvm s TRP 44 CO 0.03 -0.39 0.05 -0.51 0.02 0.00 0.00 176.95 176.15 2jvm s LEU 45 N 1.60 3.38 -0.14 2.99 1.43 0.18 -4.95 118.68 123.17 2jvm s LEU 45 Ca 0.06 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2jvm s LEU 45 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2jvm s LEU 45 CO 0.03 0.00 -0.15 -0.55 0.23 0.00 0.00 176.35 175.91 2jvm s SER 46 N -3.62 2.70 -0.19 2.29 0.15 -1.26 -1.25 113.70 112.52 2jvm s SER 46 Ca 0.31 -0.49 -0.28 0.00 0.70 0.00 0.00 55.95 56.18 2jvm s SER 46 Cb -0.07 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2jvm s SER 46 CO 0.21 -0.04 0.99 -0.63 1.20 0.00 0.00 173.24 174.98 2jvm s ILE 47 N 1.37 4.74 0.11 6.45 1.01 0.79 -4.94 121.20 130.73 2jvm s ILE 47 Ca 0.03 1.95 -0.31 0.00 0.00 0.00 0.00 60.65 62.32 2jvm s ILE 47 Cb -0.13 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 2jvm s ILE 47 CO -0.09 -0.10 1.83 -2.84 0.00 0.00 0.00 174.94 173.74 2jvm s PRO 48 N 2.77 4.14 0.32 2.79 0.02 -1.26 -4.88 135.00 138.90 2jvm s PRO 48 Ca 0.44 2.57 0.14 0.00 0.02 0.00 0.00 61.00 64.17 2jvm s PRO 48 Cb -0.16 -3.67 0.52 0.00 0.02 0.00 0.00 34.50 31.20 2jvm s PRO 48 CO 0.10 -0.85 1.67 0.45 -0.33 0.00 0.00 177.00 178.04 2jvm h HIS 49 N 8.85 0.00 -0.28 6.54 3.86 -1.94 0.52 115.15 132.70 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 0.81 0.50 0.00 -0.85 0.86 0.00 0.00 177.93 179.25 2jvm n GLU 50 N -3.68 2.00 -0.03 2.45 0.00 -1.26 -4.12 120.64 116.00 2jvm n GLU 50 Ca -0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 57.16 55.59 2jvm n GLU 50 Cb 0.56 -1.42 -0.03 0.00 0.00 0.00 0.00 31.44 30.55 2jvm n GLU 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jvm n THR 51 N 0.74 0.34 0.00 3.84 -1.04 -0.67 -5.05 114.28 112.44 2jvm n THR 51 Ca 0.17 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2jvm n THR 51 Cb 0.41 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 2jvm n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jvm n GLY 52 N 3.17 2.88 3.37 3.41 0.00 0.09 -5.00 105.19 113.11 2jvm n GLY 52 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.21 0.43 -0.02 1.61 -0.71 -1.26 -3.07 117.98 113.73 2jvm s PHE 53 Ca 0.00 -0.78 -0.05 0.00 -1.04 0.00 0.00 56.93 55.07 2jvm s PHE 53 Cb 0.00 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2jvm s PHE 53 CO 0.00 -0.77 0.11 0.54 -1.34 0.00 0.00 175.22 173.76 2jvm s VAL 54 N -3.99 0.04 0.06 -2.49 0.11 -0.16 -4.56 120.40 109.41 2jvm s VAL 54 Ca 0.19 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 2jvm s VAL 54 Cb 0.03 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2jvm s VAL 54 CO 0.02 -0.16 0.23 -1.61 -3.33 0.00 0.00 175.10 170.25 2jvm s GLU 55 N -0.51 3.47 0.23 1.54 8.01 -1.26 -0.79 118.70 129.38 2jvm s GLU 55 Ca -0.06 -0.37 -0.30 0.00 0.01 0.00 0.00 54.97 54.26 2jvm s GLU 55 Cb -0.04 -3.02 -0.09 0.00 -4.31 0.00 0.00 34.13 26.67 2jvm s GLU 55 CO 0.00 0.60 1.11 0.00 0.01 0.00 0.00 175.26 176.99 2jvm n GLY 57 N 1.63 -1.42 0.32 0.00 0.00 -1.26 -4.00 105.19 100.45 2jvm n GLY 57 Ca 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2jvm n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jvm n TYR 58 N -2.07 0.00 -3.73 1.61 4.01 -1.26 -5.04 117.16 110.68 2jvm n TYR 58 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 2jvm n TYR 58 Cb 0.30 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jvm n ASP 60 N -0.76 0.45 -4.71 0.00 9.92 -1.26 -3.75 116.55 116.44 2jvm n ASP 60 Ca -0.05 -1.83 -0.42 0.00 -0.53 0.00 0.00 54.79 51.96 2jvm n ASP 60 Cb 0.54 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jvm s ARG 61 N -1.91 4.55 -0.04 -1.24 0.52 -1.26 -4.84 118.95 114.74 2jvm s ARG 61 Ca 0.14 1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 56.72 2jvm s ARG 61 Cb 0.07 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2jvm s ARG 61 CO 0.10 -0.05 0.09 0.50 0.02 0.00 0.00 175.30 175.96 2jvm s ARG 62 N 1.03 3.15 -0.06 3.54 3.00 -0.51 -2.92 118.95 126.18 2jvm s ARG 62 Ca 0.51 -0.39 0.05 0.00 -1.00 0.00 0.00 55.73 54.89 2jvm s ARG 62 Cb -0.21 -2.93 -0.02 0.00 0.00 0.00 0.00 34.95 31.80 2jvm s ARG 62 CO 0.27 0.68 -0.21 0.71 0.00 0.00 0.00 175.30 176.76 2jvm s TYR 63 N -1.13 2.55 0.01 5.12 2.02 0.03 -1.39 117.35 124.56 2jvm s TYR 63 Ca 0.20 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2jvm s TYR 63 Cb -0.12 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 2jvm s TYR 63 CO 0.11 -0.11 -0.05 -1.50 -1.57 0.00 0.00 175.55 172.43 2jvm s ILE 64 N -0.25 0.32 0.38 2.71 2.07 -0.81 -0.99 121.20 124.64 2jvm s ILE 64 Ca -0.00 -0.53 -0.25 0.00 -1.41 0.00 0.00 60.65 58.46 2jvm s ILE 64 Cb -0.13 -0.34 -0.09 0.00 0.13 0.00 0.00 42.46 42.03 2jvm s ILE 64 CO 0.03 -0.14 1.11 -2.28 -1.91 0.00 0.00 174.94 171.74 2jvm s HIS 65 N -0.66 3.23 0.45 3.50 5.65 -1.18 -0.71 115.29 125.57 2jvm s HIS 65 Ca -0.05 1.62 0.18 0.00 0.25 0.00 0.00 55.06 57.06 2jvm s HIS 65 Cb -0.05 -3.26 1.14 0.00 -1.18 0.00 0.00 32.58 29.22 2jvm s HIS 65 CO -0.00 -0.91 1.92 1.05 -0.65 0.00 0.00 174.74 176.15 2jvm h GLU 66 N 2.75 0.32 -0.18 2.88 4.11 -1.40 -0.70 114.58 122.36 2jvm h GLU 66 Ca -0.48 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 58.83 2jvm h GLU 66 Cb 1.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2jvm h GLU 66 CO 0.63 0.21 -0.31 1.03 0.07 0.00 0.00 179.01 180.64 2jvm h SER 67 N 0.33 0.36 0.88 3.06 0.87 -1.91 -0.18 113.55 116.95 2jvm h SER 67 Ca 0.37 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2jvm h SER 67 Cb 0.98 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2jvm h SER 67 CO -0.10 0.66 -0.61 0.33 -0.53 0.00 0.00 176.83 176.57 2jvm n PHE 68 N -4.09 0.57 0.00 2.24 7.35 -0.35 -3.95 117.46 119.23 2jvm n PHE 68 Ca -0.01 0.17 -0.18 0.00 -0.76 0.00 0.00 57.45 56.66 2jvm n PHE 68 Cb 0.43 -0.67 -0.14 0.00 0.35 0.00 0.00 39.48 39.45 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvm n ALA 69 N -1.83 1.02 1.09 3.13 0.00 -0.69 -4.03 120.51 119.20 2jvm n ALA 69 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.88 2jvm n ALA 69 Cb 0.44 -0.73 0.09 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.89 2.61 -2.68 0.00 0.00 -0.12 -4.81 120.51 112.61 2jvm n ALA 70 Ca -0.28 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2jvm n ALA 70 Cb 1.05 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.64 3.46 -1.42 0.00 0.00 -1.25 -4.94 121.76 115.97 2jvm s ALA 71 Ca 0.12 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2jvm s ALA 71 Cb 0.08 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2jvm s ALA 71 CO 0.07 -0.65 2.25 1.17 0.00 0.00 0.00 175.76 178.59 2jvm n LYS 72 N 5.18 2.81 -4.20 0.00 0.00 -1.26 -4.82 118.16 115.86 2jvm n LYS 72 Ca 0.08 -2.52 -0.12 0.00 0.00 0.00 0.00 58.31 55.75 2jvm n LYS 72 Cb 0.48 -3.23 -0.10 0.00 0.00 0.00 0.00 35.03 32.18 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 2.00 2.50 -0.70 3.14 1.43 -1.26 -5.10 118.68 120.69 2jvm s LEU 73 Ca 0.49 -1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 2jvm s LEU 73 Cb 0.14 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.23 2jvm s LEU 73 CO -0.07 -0.43 1.23 -1.61 0.23 0.00 0.00 176.35 175.70 2jvm s GLU 74 N -3.81 3.26 -1.35 1.70 2.02 -1.26 -4.91 118.70 114.34 2jvm s GLU 74 Ca 0.14 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.83 2jvm s GLU 74 Cb 0.04 -4.15 0.11 0.00 0.10 0.00 0.00 34.13 30.24 2jvm s GLU 74 CO -0.02 -2.01 1.98 0.72 0.02 0.00 0.00 175.26 175.95 2jvm n HIS 75 N 9.01 3.36 -2.10 1.61 8.25 -1.26 -4.90 115.22 129.18 2jvm n HIS 75 Ca 0.04 -2.90 -0.37 0.00 -0.26 0.00 0.00 57.72 54.23 2jvm n HIS 75 Cb 0.49 -2.23 -0.03 0.00 1.12 0.00 0.00 29.99 29.34 2jvm n HIS 75 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jvm n HIS 76 N 5.03 3.44 -3.00 4.41 1.44 -1.26 -4.58 115.22 120.70 2jvm n HIS 76 Ca 0.45 -2.19 -0.15 0.00 -2.01 0.00 0.00 57.72 53.82 2jvm n HIS 76 Cb 0.38 -2.51 -0.02 0.00 0.12 0.00 0.00 29.99 27.96 2jvm n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jvm n HIS 77 N 10.34 -2.30 -0.10 -1.40 -0.00 -1.26 -5.00 115.22 115.51 2jvm n HIS 77 Ca 0.48 -2.39 -0.19 0.00 0.46 0.00 0.00 57.72 56.08 2jvm n HIS 77 Cb 0.45 0.83 -0.07 0.00 -0.12 0.00 0.00 29.99 31.08 2jvm n HIS 77 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jvm n HIS 78 N 2.24 0.00 -3.80 1.57 8.25 -1.26 -5.01 115.22 117.20 2jvm n HIS 78 Ca 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 2jvm n HIS 78 Cb 0.55 -0.71 -0.10 0.00 1.12 0.00 0.00 29.99 30.86 2jvm n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvm s HIS 79 N -2.36 -0.15 -1.27 4.41 5.65 -1.26 -4.90 115.29 115.40 2jvm s HIS 79 Ca -0.27 0.30 0.10 0.00 0.25 0.00 0.00 55.06 55.45 2jvm s HIS 79 Cb 0.10 0.05 0.08 0.00 -1.18 0.00 0.00 32.58 31.63 2jvm s HIS 79 CO 0.36 -0.27 0.82 1.58 -0.65 0.00 0.00 174.74 176.59