#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 4.47 -1.06 0.03 3.52 -1.26 -4.93 118.95 119.72 2jvm s ARG 2 Ca 0.00 1.87 -0.23 0.00 -0.13 0.00 0.00 55.73 57.25 2jvm s ARG 2 Cb 0.00 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2jvm s ARG 2 CO 0.00 -0.15 1.73 1.03 -0.81 0.00 0.00 175.30 177.10 2jvm s ARG 3 N 0.11 3.16 -0.21 5.12 0.52 -1.26 -4.94 118.95 121.46 2jvm s ARG 3 Ca 0.55 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.67 2jvm s ARG 3 Cb -0.32 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 29.83 2jvm s ARG 3 CO 0.35 -2.87 0.07 -1.14 0.02 0.00 0.00 175.30 171.73 2jvm s GLN 4 N 5.73 3.87 -0.93 3.54 0.74 -1.26 -5.01 119.66 126.34 2jvm s GLN 4 Ca 0.59 -0.39 -0.22 0.00 0.05 0.00 0.00 55.36 55.39 2jvm s GLN 4 Cb -0.02 -3.26 -0.13 0.00 1.10 0.00 0.00 33.01 30.70 2jvm s GLN 4 CO -0.00 0.12 1.92 -2.30 -0.55 0.00 0.00 175.29 174.47 2jvm n PRO 5 N 4.01 1.55 -2.01 1.67 -0.02 -1.26 -4.92 135.00 134.03 2jvm n PRO 5 Ca -0.16 -2.10 -0.43 0.00 -2.02 0.00 0.00 63.50 58.79 2jvm n PRO 5 Cb 0.52 -3.23 -0.03 0.00 -0.02 0.00 0.00 33.50 30.74 2jvm n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jvm s LYS 6 N 5.57 3.88 0.26 -0.52 2.47 -1.26 -4.94 119.74 125.19 2jvm s LYS 6 Ca 0.62 1.91 -0.21 0.00 -1.56 0.00 0.00 55.97 56.72 2jvm s LYS 6 Cb 0.09 -4.06 0.03 0.00 -1.46 0.00 0.00 37.83 32.43 2jvm s LYS 6 CO 0.13 -1.21 0.71 -0.08 0.16 0.00 0.00 175.35 175.06 2jvm s THR 7 N 5.06 0.00 0.00 3.43 -1.32 -1.26 -5.17 115.64 116.38 2jvm s THR 7 Ca 0.75 -0.82 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 2jvm s THR 7 Cb -0.29 -1.83 -0.00 0.00 -1.51 0.00 0.00 72.50 68.86 2jvm s THR 7 CO 0.30 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 172.68 2jvm s ARG 8 N -3.87 0.24 -0.26 7.08 3.03 -1.26 -5.13 118.95 118.78 2jvm s ARG 8 Ca 0.09 -0.17 -0.02 0.00 2.03 0.00 0.00 55.73 57.67 2jvm s ARG 8 Cb -0.05 -0.20 0.03 0.00 -1.03 0.00 0.00 34.95 33.70 2jvm s ARG 8 CO 0.04 0.05 -0.05 -1.14 -1.13 0.00 0.00 175.30 173.07 2jvm s GLN 9 N -0.25 2.79 -0.43 3.89 -0.44 -1.26 -5.07 119.66 118.89 2jvm s GLN 9 Ca -0.01 -1.01 -0.11 0.00 -2.50 0.00 0.00 55.36 51.73 2jvm s GLN 9 Cb -0.02 -3.02 0.07 0.00 -1.64 0.00 0.00 33.01 28.40 2jvm s GLN 9 CO -0.00 -0.43 0.29 -2.00 0.50 0.00 0.00 175.29 173.65 2jvm s GLU 10 N 1.32 2.73 -1.43 1.67 2.12 -1.26 -4.99 118.70 118.85 2jvm s GLU 10 Ca -0.01 -1.38 -0.14 0.00 0.36 0.00 0.00 54.97 53.80 2jvm s GLU 10 Cb -0.17 -3.87 0.03 0.00 0.26 0.00 0.00 34.13 30.38 2jvm s GLU 10 CO -0.04 -0.94 2.23 0.43 -0.54 0.00 0.00 175.26 176.41 2jvm n SER 11 N 5.00 3.94 -4.83 -1.70 7.64 -1.26 -4.95 113.62 117.46 2jvm n SER 11 Ca -0.11 -2.82 -0.31 0.00 1.01 0.00 0.00 58.87 56.63 2jvm n SER 11 Cb 0.43 -1.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.04 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jvm s ALA 12 N 3.26 2.80 -0.12 -0.43 0.00 -1.26 -5.06 121.76 120.95 2jvm s ALA 12 Ca 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 2jvm s ALA 12 Cb 0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 2jvm s ALA 12 CO -0.08 -0.98 0.00 1.03 0.00 0.00 0.00 175.76 175.73 2jvm s ARG 13 N -4.84 3.32 -0.00 0.00 3.00 -1.26 -5.11 118.95 114.06 2jvm s ARG 13 Ca 0.58 -0.43 0.02 0.00 0.00 0.00 0.00 55.73 55.91 2jvm s ARG 13 Cb -0.13 -2.89 -0.01 0.00 0.00 0.00 0.00 34.95 31.92 2jvm s ARG 13 CO 0.50 0.52 -0.07 0.00 0.00 0.00 0.00 175.30 176.25 2jvm s MET 14 N -0.37 0.58 -0.44 3.54 0.23 -1.26 -5.11 119.30 116.47 2jvm s MET 14 Ca 0.07 -0.28 -0.19 0.00 -1.03 0.00 0.00 55.69 54.26 2jvm s MET 14 Cb -0.12 -0.55 0.03 0.00 -1.53 0.00 0.00 34.83 32.65 2jvm s MET 14 CO 0.02 0.15 0.55 -1.12 -2.03 0.00 0.00 175.02 172.59 2jvm s SER 15 N -0.24 6.25 0.57 -1.18 0.01 -1.26 -5.06 113.70 112.80 2jvm s SER 15 Ca 0.02 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 2jvm s SER 15 Cb -0.03 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 2jvm s SER 15 CO -0.00 -0.72 0.99 -0.63 0.41 0.00 0.00 173.24 173.29 2jvm s ILE 16 N 2.49 4.68 0.27 1.44 1.09 -1.26 -5.08 121.20 124.83 2jvm s ILE 16 Ca 0.17 0.92 0.07 0.00 -1.10 0.00 0.00 60.65 60.71 2jvm s ILE 16 Cb -0.16 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 2jvm s ILE 16 CO 0.15 -0.97 0.20 -1.83 -0.10 0.00 0.00 174.94 172.40 2jvm s GLU 17 N -4.78 2.85 -0.28 2.79 1.03 -1.26 -5.10 118.70 113.95 2jvm s GLU 17 Ca 0.55 -1.13 -0.12 0.00 0.03 0.00 0.00 54.97 54.31 2jvm s GLU 17 Cb -0.11 -2.52 -0.05 0.00 -0.80 0.00 0.00 34.13 30.66 2jvm s GLU 17 CO 0.46 0.34 0.23 0.00 -1.33 0.00 0.00 175.26 174.96 2jvm s ALA 18 N -2.18 3.54 0.38 -0.84 0.00 -1.26 -5.07 121.76 116.33 2jvm s ALA 18 Ca 0.34 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 2jvm s ALA 18 Cb -0.07 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 2jvm s ALA 18 CO 0.25 -0.59 1.33 -1.25 0.00 0.00 0.00 175.76 175.50 2jvm s PRO 19 N 1.83 4.08 -0.52 0.00 0.04 -1.26 -4.91 135.00 134.26 2jvm s PRO 19 Ca 0.09 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 2jvm s PRO 19 Cb -0.16 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2jvm s PRO 19 CO 0.11 -0.42 1.91 -1.21 0.04 0.00 0.00 177.00 177.43 2jvm s GLU 20 N -2.11 2.75 0.11 4.56 2.02 -1.26 -4.83 118.70 119.94 2jvm s GLU 20 Ca 0.54 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 56.30 2jvm s GLU 20 Cb -0.40 -4.36 -0.07 0.00 0.10 0.00 0.00 34.13 29.40 2jvm s GLU 20 CO 0.52 -2.57 0.55 -0.08 0.02 0.00 0.00 175.26 173.70 2jvm s THR 21 N 8.89 4.82 -0.11 3.63 -1.32 -1.26 -3.66 115.64 126.63 2jvm s THR 21 Ca 0.74 0.97 0.03 0.00 -1.21 0.00 0.00 61.69 62.23 2jvm s THR 21 Cb -0.16 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 2jvm s THR 21 CO 0.25 0.38 -0.23 -0.69 -2.21 0.00 0.00 174.62 172.12 2jvm s VAL 22 N -1.32 2.00 -0.19 5.08 1.01 0.72 -4.98 120.40 122.72 2jvm s VAL 22 Ca 0.34 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2jvm s VAL 22 Cb -0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2jvm s VAL 22 CO 0.19 0.54 0.76 -0.69 0.00 0.00 0.00 175.10 175.90 2jvm s VAL 23 N 0.52 4.92 0.18 2.92 1.01 -1.26 -1.08 120.40 127.62 2jvm s VAL 23 Ca -0.15 1.46 0.11 0.00 0.00 0.00 0.00 61.98 63.40 2jvm s VAL 23 Cb -0.17 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2jvm s VAL 23 CO 0.05 0.04 -0.23 0.68 0.00 0.00 0.00 175.10 175.64 2jvm s VAL 24 N 2.18 2.21 -1.59 2.92 -7.23 0.54 -4.92 120.40 114.51 2jvm s VAL 24 Ca 0.34 -1.98 0.23 0.00 -1.81 0.00 0.00 61.98 58.76 2jvm s VAL 24 Cb -0.16 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2jvm s VAL 24 CO 0.11 -0.15 1.11 -1.20 -0.31 0.00 0.00 175.10 174.66 2jvm n SER 25 N 0.33 1.46 -4.47 4.85 7.64 -1.26 -1.53 113.62 120.64 2jvm n SER 25 Ca -0.13 -1.18 -0.34 0.00 1.01 0.00 0.00 58.87 58.24 2jvm n SER 25 Cb 0.56 0.58 -0.12 0.00 -1.01 0.00 0.00 64.21 64.22 2jvm n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jvm s THR 26 N -2.69 3.80 0.09 0.44 2.01 -1.26 -4.97 115.64 113.06 2jvm s THR 26 Ca 0.15 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 2jvm s THR 26 Cb 0.18 -2.67 -0.12 0.00 0.01 0.00 0.00 72.50 69.90 2jvm s THR 26 CO 0.67 0.49 1.35 -0.50 -0.69 0.00 0.00 174.62 175.94 2jvm h TRP 27 N 6.83 0.91 -3.65 4.92 4.06 -1.93 -3.41 115.95 123.67 2jvm h TRP 27 Ca -0.31 -0.34 -0.68 0.00 2.06 0.00 0.00 58.89 59.61 2jvm h TRP 27 Cb 1.19 -0.16 -0.30 0.00 -1.00 0.00 0.00 29.16 28.89 2jvm h TRP 27 CO 0.54 1.13 -0.66 -1.59 -3.56 0.00 0.00 178.44 174.29 2jvm s LYS 28 N -4.03 2.71 0.20 0.49 -2.85 -1.26 -0.37 119.74 114.64 2jvm s LYS 28 Ca -0.12 -1.09 0.10 0.00 -1.00 0.00 0.00 55.97 53.86 2jvm s LYS 28 Cb 0.08 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.53 2jvm s LYS 28 CO 0.86 -0.56 -0.21 0.14 0.10 0.00 0.00 175.35 175.68 2jvm s VAL 29 N 1.37 2.13 -0.32 1.79 -7.23 -0.92 -4.92 120.40 112.31 2jvm s VAL 29 Ca -0.01 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 57.96 2jvm s VAL 29 Cb -0.19 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2jvm s VAL 29 CO 0.00 -0.27 0.32 0.00 -0.31 0.00 0.00 175.10 174.84 2jvm s ALA 30 N -2.03 3.51 -0.07 1.32 0.00 -1.26 0.21 121.76 123.45 2jvm s ALA 30 Ca 0.20 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2jvm s ALA 30 Cb -0.06 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 2jvm s ALA 30 CO 0.09 -0.91 0.30 0.00 0.00 0.00 0.00 175.76 175.24 2jvm n ASP 32 N 2.16 1.15 0.00 0.00 2.03 -1.26 -0.84 116.55 119.79 2jvm n ASP 32 Ca -0.16 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.40 2jvm n ASP 32 Cb 0.53 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.38 2.31 0.00 0.27 0.00 -1.26 -4.30 105.19 101.83 2jvm n GLY 33 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 5.60 3.29 -0.02 0.00 -0.19 -4.91 105.19 108.96 2jvm n GLY 34 Ca 0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 4.89 1.42 4.18 1.61 2.02 -1.26 -4.91 118.70 126.65 2jvm s GLU 35 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.94 2jvm s GLU 35 Cb 0.00 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.62 2jvm s GLU 35 CO 0.00 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2jvm n GLY 36 N 1.61 1.71 2.39 -1.39 0.00 -1.26 -4.11 105.19 104.15 2jvm n GLY 36 Ca -0.18 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 4.88 2.36 -3.65 4.61 0.00 -1.26 -5.09 120.51 122.36 2jvm n ALA 37 Ca 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 53.44 50.42 2jvm n ALA 37 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 2jvm n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jvm s LEU 38 N -0.11 -0.86 0.00 0.00 1.98 -1.26 -5.10 118.68 113.33 2jvm s LEU 38 Ca 0.33 1.34 0.00 0.00 -2.89 0.00 0.00 54.13 52.92 2jvm s LEU 38 Cb 0.06 1.98 0.00 0.00 0.66 0.00 0.00 46.19 48.89 2jvm s LEU 38 CO -0.17 -0.22 0.00 0.61 -1.89 0.00 0.00 176.35 174.67 2jvm n GLY 39 N 5.07 0.23 3.77 7.98 0.00 -1.26 -1.02 105.19 119.95 2jvm n GLY 39 Ca -0.14 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.90 2.72 0.51 1.61 -3.43 -1.26 -4.99 115.29 108.55 2jvm s HIS 40 Ca 0.00 -0.42 -0.22 0.00 -0.80 0.00 0.00 55.06 53.63 2jvm s HIS 40 Cb 0.00 -1.78 -0.07 0.00 -1.43 0.00 0.00 32.58 29.29 2jvm s HIS 40 CO 0.00 0.23 1.04 -2.30 -2.00 0.00 0.00 174.74 171.71 2jvm n PRO 41 N -1.25 1.24 -1.86 -0.38 -0.02 -1.26 -4.34 135.00 127.13 2jvm n PRO 41 Ca -0.02 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 2jvm n PRO 41 Cb 0.62 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.43 3.76 0.22 -0.52 3.52 -1.26 -4.78 118.95 117.46 2jvm s ARG 42 Ca 0.69 2.05 0.10 0.00 -0.13 0.00 0.00 55.73 58.44 2jvm s ARG 42 Cb -0.47 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 28.72 2jvm s ARG 42 CO 0.52 -1.37 -0.11 0.08 -0.81 0.00 0.00 175.30 173.62 2jvm s VAL 43 N 5.67 3.03 -0.26 7.11 1.01 -0.02 -4.94 120.40 131.99 2jvm s VAL 43 Ca 0.83 -1.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 2jvm s VAL 43 Cb -0.32 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2jvm s VAL 43 CO 0.34 -0.24 0.09 0.26 0.00 0.00 0.00 175.10 175.55 2jvm s TRP 44 N -2.01 3.11 0.34 5.22 0.52 -1.26 0.06 118.94 124.92 2jvm s TRP 44 Ca 0.27 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 56.00 2jvm s TRP 44 Cb -0.07 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 2jvm s TRP 44 CO 0.16 -0.38 0.34 -0.51 0.02 0.00 0.00 176.95 176.57 2jvm s LEU 45 N 1.61 3.65 -0.13 2.99 1.43 0.13 -4.96 118.68 123.40 2jvm s LEU 45 Ca 0.06 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2jvm s LEU 45 Cb -0.16 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.81 2jvm s LEU 45 CO 0.04 -0.40 0.07 -0.55 0.23 0.00 0.00 176.35 175.74 2jvm s SER 46 N -4.05 2.04 -0.14 2.29 0.15 -1.26 -2.15 113.70 110.58 2jvm s SER 46 Ca 0.43 -0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 2jvm s SER 46 Cb -0.06 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2jvm s SER 46 CO 0.28 -0.31 1.25 -0.63 1.20 0.00 0.00 173.24 175.03 2jvm s ILE 47 N 2.11 4.27 0.10 6.45 1.01 0.51 -4.90 121.20 130.75 2jvm s ILE 47 Ca 0.03 1.56 -0.31 0.00 0.00 0.00 0.00 60.65 61.92 2jvm s ILE 47 Cb -0.15 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 2jvm s ILE 47 CO -0.07 -0.11 1.86 -2.84 0.00 0.00 0.00 174.94 173.78 2jvm s PRO 48 N 3.21 4.14 0.41 2.79 0.02 -1.26 -4.86 135.00 139.44 2jvm s PRO 48 Ca 0.55 2.60 0.29 0.00 0.02 0.00 0.00 61.00 64.45 2jvm s PRO 48 Cb -0.22 -3.73 1.11 0.00 0.02 0.00 0.00 34.50 31.68 2jvm s PRO 48 CO 0.16 -0.87 1.84 0.45 -0.33 0.00 0.00 177.00 178.25 2jvm h HIS 49 N 9.08 0.00 -0.01 6.54 3.86 -1.94 0.71 115.15 133.38 2jvm h HIS 49 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 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 0.83 0.00 -0.17 -0.85 0.86 0.00 0.00 177.93 178.60 2jvm n GLU 50 N -2.72 0.96 -0.02 2.45 0.28 -1.26 -4.33 120.64 116.01 2jvm n GLU 50 Ca 0.02 -0.51 -0.03 0.00 -0.16 0.00 0.00 57.16 56.48 2jvm n GLU 50 Cb 0.30 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.67 2jvm n GLU 50 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2jvm n THR 51 N -0.58 0.19 0.00 3.84 -1.04 -0.49 -5.04 114.28 111.16 2jvm n THR 51 Ca 0.14 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2jvm n THR 51 Cb 0.33 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 3.00 2.96 3.11 3.41 0.00 0.12 -5.02 105.19 112.78 2jvm n GLY 52 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.83 0.72 -0.11 1.61 -0.71 -1.26 -0.64 117.98 114.76 2jvm s PHE 53 Ca 0.00 -0.80 -0.00 0.00 -1.04 0.00 0.00 56.93 55.09 2jvm s PHE 53 Cb 0.00 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 2jvm s PHE 53 CO 0.00 -0.17 -0.08 0.54 -1.34 0.00 0.00 175.22 174.16 2jvm s VAL 54 N -2.89 3.51 -0.41 -2.49 0.11 0.22 -4.36 120.40 114.09 2jvm s VAL 54 Ca 0.03 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 58.42 2jvm s VAL 54 Cb 0.00 -2.47 0.03 0.00 -1.53 0.00 0.00 36.38 32.42 2jvm s VAL 54 CO -0.04 0.55 0.28 -1.61 -3.33 0.00 0.00 175.10 170.95 2jvm s GLU 55 N -0.15 2.91 0.33 1.54 2.02 -1.26 -3.19 118.70 120.90 2jvm s GLU 55 Ca 0.01 -1.11 -0.27 0.00 0.02 0.00 0.00 54.97 53.63 2jvm s GLU 55 Cb -0.13 -3.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 2jvm s GLU 55 CO 0.03 -0.79 1.02 0.00 0.02 0.00 0.00 175.26 175.54 2jvm h GLY 57 N 3.18 0.00 1.55 0.00 0.00 -1.97 -3.34 103.07 102.48 2jvm h GLY 57 Ca -0.47 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.61 2jvm h GLY 57 CO 0.65 0.00 -1.31 -0.97 0.00 0.00 0.00 176.54 174.91 2jvm h TYR 58 N 0.00 0.00 -3.23 5.60 -1.99 -2.00 -3.48 116.97 111.87 2jvm h TYR 58 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2jvm h TYR 58 Cb 0.82 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.43 2jvm h TYR 58 CO 0.00 0.99 0.05 0.00 -0.00 0.00 0.00 178.16 179.20 2jvm n ASP 60 N -0.30 3.96 -4.64 0.00 2.03 -1.26 -3.87 116.55 112.47 2jvm n ASP 60 Ca -0.16 -2.63 -0.43 0.00 0.52 0.00 0.00 54.79 52.10 2jvm n ASP 60 Cb 0.64 -0.73 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.17 4.14 -0.40 -0.67 1.81 -1.26 -4.52 118.95 116.88 2jvm s ARG 61 Ca 0.20 1.05 -0.20 0.00 -1.72 0.00 0.00 55.73 55.06 2jvm s ARG 61 Cb 0.17 -3.68 0.01 0.00 -0.45 0.00 0.00 34.95 30.99 2jvm s ARG 61 CO 0.03 -0.69 0.63 0.50 -0.68 0.00 0.00 175.30 175.08 2jvm s ARG 62 N 3.21 3.47 -0.36 3.54 3.52 -1.24 -4.13 118.95 126.95 2jvm s ARG 62 Ca 0.40 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.70 2jvm s ARG 62 Cb -0.14 -3.88 0.02 0.00 -1.56 0.00 0.00 34.95 29.38 2jvm s ARG 62 CO 0.10 -0.87 0.21 0.71 -0.81 0.00 0.00 175.30 174.64 2jvm s TYR 63 N 2.74 3.23 -0.08 5.12 2.02 -1.19 -0.20 117.35 128.98 2jvm s TYR 63 Ca 0.23 -0.79 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 2jvm s TYR 63 Cb -0.14 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.95 2jvm s TYR 63 CO 0.17 -0.58 -0.13 -1.50 -1.57 0.00 0.00 175.55 171.94 2jvm s ILE 64 N 1.59 3.16 0.30 2.71 2.07 -0.24 -0.61 121.20 130.18 2jvm s ILE 64 Ca 0.03 -0.66 -0.28 0.00 -1.41 0.00 0.00 60.65 58.33 2jvm s ILE 64 Cb -0.19 -2.28 -0.09 0.00 0.13 0.00 0.00 42.46 40.04 2jvm s ILE 64 CO 0.07 0.57 1.04 -2.28 -1.91 0.00 0.00 174.94 172.43 2jvm s HIS 65 N -0.36 3.61 0.53 3.50 5.65 0.18 -0.34 115.29 128.06 2jvm s HIS 65 Ca 0.04 1.74 0.41 0.00 0.25 0.00 0.00 55.06 57.51 2jvm s HIS 65 Cb -0.12 -3.15 2.24 0.00 -1.18 0.00 0.00 32.58 30.37 2jvm s HIS 65 CO 0.02 -0.27 2.27 1.05 -0.65 0.00 0.00 174.74 177.16 2jvm h GLU 66 N 3.54 0.00 -0.41 2.88 4.11 -1.60 -0.51 114.58 122.58 2jvm h GLU 66 Ca -0.47 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.91 2jvm h GLU 66 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2jvm h GLU 66 CO 0.66 0.00 0.02 1.03 0.07 0.00 0.00 179.01 180.78 2jvm h SER 67 N 0.00 0.62 1.80 3.06 0.87 -1.91 0.31 113.55 118.30 2jvm h SER 67 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2jvm h SER 67 Cb 0.01 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jvm h SER 67 CO 0.00 0.68 0.00 0.15 -0.53 0.00 0.00 176.83 177.13 2jvm h PHE 68 N 0.62 0.00 0.00 2.24 3.57 -1.38 -3.07 116.94 118.92 2jvm h PHE 68 Ca 0.13 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.44 2jvm h PHE 68 Cb 0.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2jvm h PHE 68 CO 0.02 0.00 -1.26 0.00 -2.23 0.00 0.00 178.31 174.83 2jvm h ALA 69 N 2.08 0.65 -0.01 2.41 0.00 -1.24 -3.31 119.26 119.84 2jvm h ALA 69 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 2jvm h ALA 69 Cb 0.90 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jvm h ALA 69 CO 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 179.25 180.23 2jvm h ALA 70 N 1.29 1.87 0.00 0.00 0.00 -0.33 -3.15 119.26 118.94 2jvm h ALA 70 Ca -0.14 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 54.01 2jvm h ALA 70 Cb 1.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2jvm h ALA 70 CO 0.07 0.10 3.13 0.00 0.00 0.00 0.00 179.25 182.54 2jvm n ALA 71 N -2.52 5.55 0.04 0.00 0.00 -1.24 -4.66 120.51 117.66 2jvm n ALA 71 Ca -0.03 -3.68 -0.12 0.00 0.00 0.00 0.00 53.44 49.61 2jvm n ALA 71 Cb 0.16 -3.51 -0.09 0.00 0.00 0.00 0.00 19.45 16.01 2jvm n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jvm h LYS 72 N 6.10 -0.14 -5.75 0.00 3.11 -1.84 -3.42 116.57 114.63 2jvm h LYS 72 Ca 0.60 0.01 -0.58 0.00 -2.81 0.00 0.00 60.65 57.86 2jvm h LYS 72 Cb 0.57 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.75 2jvm h LYS 72 CO 1.87 0.32 0.09 -0.51 -2.81 0.00 0.00 179.45 178.41 2jvm s LEU 73 N -9.15 4.19 -0.17 5.20 1.43 -1.26 -4.91 118.68 114.01 2jvm s LEU 73 Ca -0.15 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2jvm s LEU 73 Cb 0.01 -2.91 -0.13 0.00 0.03 0.00 0.00 46.19 43.20 2jvm s LEU 73 CO 0.58 -0.21 -0.11 -0.62 0.23 0.00 0.00 176.35 176.22 2jvm n GLU 74 N 4.63 0.71 0.00 1.70 1.02 -1.26 -5.02 120.64 122.41 2jvm n GLU 74 Ca -0.02 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2jvm n GLU 74 Cb 0.50 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2jvm n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jvm n HIS 75 N -2.91 0.00 0.00 -0.32 8.25 -1.26 -4.71 115.22 114.27 2jvm n HIS 75 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 2jvm n HIS 75 Cb 0.86 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 0.00 0.00 0.00 4.41 1.44 -1.26 -5.12 115.22 114.69 2jvm n HIS 76 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jvm n HIS 76 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -0.24 0.00 -3.10 -1.40 -0.00 -1.26 -5.05 115.22 104.16 2jvm n HIS 77 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 2jvm n HIS 77 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jvm n HIS 77 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jvm s HIS 78 N 0.00 -0.53 -0.06 1.57 3.76 -1.26 -5.02 115.29 113.75 2jvm s HIS 78 Ca 0.00 0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.93 2jvm s HIS 78 Cb 0.00 0.09 -0.21 0.00 1.11 0.00 0.00 32.58 33.57 2jvm s HIS 78 CO 0.00 -0.32 1.02 1.25 -0.85 0.00 0.00 174.74 175.84 2jvm h HIS 79 N 7.03 -0.04 0.00 1.40 6.17 -2.04 -3.58 115.15 124.09 2jvm h HIS 79 Ca -0.08 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.00 2jvm h HIS 79 Cb 1.18 0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.13 2jvm h HIS 79 CO -0.11 0.58 0.00 1.58 0.71 0.00 0.00 177.93 180.69