#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 0.00 -4.26 3.17 1.74 -1.26 -4.90 116.66 111.15 2jvm n ARG 2 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2jvm n ARG 2 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 2jvm n ARG 2 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2jvm s ARG 3 N 0.00 1.06 -0.34 5.56 1.70 -1.26 -5.11 118.95 120.56 2jvm s ARG 3 Ca 0.00 -1.12 -0.01 0.00 -0.47 0.00 0.00 55.73 54.13 2jvm s ARG 3 Cb 0.00 -1.27 0.13 0.00 -0.57 0.00 0.00 34.95 33.25 2jvm s ARG 3 CO 0.00 0.29 0.19 -0.65 -1.08 0.00 0.00 175.30 174.06 2jvm s GLN 4 N -1.89 0.49 0.57 3.89 -1.52 -1.26 -5.14 119.66 114.80 2jvm s GLN 4 Ca 0.05 -1.18 -0.10 0.00 -1.95 0.00 0.00 55.36 52.18 2jvm s GLN 4 Cb -0.10 -1.30 -0.04 0.00 -0.22 0.00 0.00 33.01 31.35 2jvm s GLN 4 CO 0.04 -1.17 0.96 -1.25 -0.25 0.00 0.00 175.29 173.62 2jvm s PRO 5 N 1.27 3.62 -0.81 2.91 0.04 -1.26 -5.00 135.00 135.77 2jvm s PRO 5 Ca 0.16 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.60 2jvm s PRO 5 Cb -0.22 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.24 2jvm s PRO 5 CO -0.07 -0.44 1.13 0.21 0.04 0.00 0.00 177.00 177.88 2jvm s LYS 6 N -4.93 3.35 -1.08 4.56 2.20 -1.26 -4.95 119.74 117.62 2jvm s LYS 6 Ca 0.53 -1.10 -0.18 0.00 -0.36 0.00 0.00 55.97 54.86 2jvm s LYS 6 Cb -0.11 -4.62 0.11 0.00 -1.51 0.00 0.00 37.83 31.70 2jvm s LYS 6 CO 0.49 -1.91 1.39 0.95 -0.36 0.00 0.00 175.35 175.91 2jvm s THR 7 N 3.97 4.50 -0.74 3.43 -4.23 -1.26 -4.91 115.64 116.40 2jvm s THR 7 Ca 0.31 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 2jvm s THR 7 Cb -0.09 -4.95 0.19 0.00 1.34 0.00 0.00 72.50 68.98 2jvm s THR 7 CO 0.01 -1.73 0.70 -0.13 -0.54 0.00 0.00 174.62 172.93 2jvm s ARG 8 N 3.24 3.42 0.32 3.99 0.52 -1.26 -5.04 118.95 124.14 2jvm s ARG 8 Ca 0.42 -2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.14 2jvm s ARG 8 Cb -0.02 -4.40 -0.11 0.00 0.52 0.00 0.00 34.95 30.94 2jvm s ARG 8 CO -0.04 -1.32 1.46 -1.14 0.02 0.00 0.00 175.30 174.28 2jvm s GLN 9 N 0.71 4.20 -1.07 3.54 0.74 -1.26 -4.89 119.66 121.62 2jvm s GLN 9 Ca 0.14 2.44 -0.22 0.00 0.05 0.00 0.00 55.36 57.77 2jvm s GLN 9 Cb -0.16 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 30.94 2jvm s GLN 9 CO -0.05 -0.46 1.66 -2.00 -0.55 0.00 0.00 175.29 173.89 2jvm s GLU 10 N -1.33 3.35 0.00 1.67 2.12 -1.26 -4.94 118.70 118.30 2jvm s GLU 10 Ca 0.55 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2jvm s GLU 10 Cb -0.44 -5.32 0.00 0.00 0.26 0.00 0.00 34.13 28.62 2jvm s GLU 10 CO 0.54 -2.63 0.00 0.45 -0.54 0.00 0.00 175.26 173.07 2jvm n SER 11 N 10.38 0.00 -4.74 -1.70 2.88 -1.26 -5.02 113.62 114.16 2jvm n SER 11 Ca 0.39 -0.08 -0.41 0.00 -1.33 0.00 0.00 58.87 57.43 2jvm n SER 11 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jvm s ALA 12 N -2.97 3.66 -0.05 -1.46 0.00 -1.26 -4.94 121.76 114.74 2jvm s ALA 12 Ca 0.00 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 2jvm s ALA 12 Cb 0.00 -3.58 -0.31 0.00 0.00 0.00 0.00 23.12 19.23 2jvm s ALA 12 CO 0.00 -0.80 0.72 0.00 0.00 0.00 0.00 175.76 175.68 2jvm h ARG 13 N 5.10 0.36 -0.74 0.00 3.08 -2.02 -3.45 114.38 116.71 2jvm h ARG 13 Ca -0.46 -0.61 0.07 0.00 0.07 0.00 0.00 59.98 59.05 2jvm h ARG 13 Cb 1.22 0.23 -0.20 0.00 0.08 0.00 0.00 29.97 31.30 2jvm h ARG 13 CO 0.79 1.29 -0.27 1.41 -1.07 0.00 0.00 179.97 182.12 2jvm s MET 14 N -2.53 0.46 0.09 0.04 0.00 -1.26 -5.01 119.30 111.09 2jvm s MET 14 Ca -0.16 0.28 -0.24 0.00 0.00 0.00 0.00 55.69 55.57 2jvm s MET 14 Cb 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 34.83 34.97 2jvm s MET 14 CO 0.84 -0.80 0.72 -1.12 0.00 0.00 0.00 175.02 174.66 2jvm s SER 15 N 2.66 7.24 0.29 1.11 0.01 -1.26 -5.08 113.70 118.67 2jvm s SER 15 Ca 0.16 1.47 0.10 0.00 1.31 0.00 0.00 55.95 59.00 2jvm s SER 15 Cb -0.06 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2jvm s SER 15 CO -0.22 0.14 -0.09 -0.63 0.41 0.00 0.00 173.24 172.85 2jvm s ILE 16 N -0.65 2.82 -0.31 1.44 1.09 -1.26 -4.40 121.20 119.93 2jvm s ILE 16 Ca 0.35 -2.15 -0.02 0.00 -1.10 0.00 0.00 60.65 57.73 2jvm s ILE 16 Cb -0.21 -2.59 0.00 0.00 -1.06 0.00 0.00 42.46 38.60 2jvm s ILE 16 CO 0.23 -0.34 0.09 -0.62 -0.10 0.00 0.00 174.94 174.20 2jvm n GLU 17 N -0.78 -3.19 -2.54 2.79 -0.58 -1.26 -4.67 120.64 110.41 2jvm n GLU 17 Ca -0.05 2.60 -0.04 0.00 -0.42 0.00 0.00 57.16 59.24 2jvm n GLU 17 Cb 0.60 -5.25 0.01 0.00 -0.57 0.00 0.00 31.44 26.23 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jvm n ALA 18 N 0.51 -2.79 -1.65 0.62 0.00 -1.26 -5.06 120.51 110.89 2jvm n ALA 18 Ca 0.02 0.62 -0.06 0.00 0.00 0.00 0.00 53.44 54.02 2jvm n ALA 18 Cb 0.07 -2.32 0.05 0.00 0.00 0.00 0.00 19.45 17.25 2jvm n ALA 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jvm n PRO 19 N -0.71 -0.09 -0.17 0.00 -0.04 -1.26 -5.01 135.00 127.72 2jvm n PRO 19 Ca 0.06 -0.65 0.08 0.00 -0.04 0.00 0.00 63.50 62.96 2jvm n PRO 19 Cb 0.39 -0.32 0.16 0.00 -0.04 0.00 0.00 33.50 33.69 2jvm n PRO 19 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jvm n GLU 20 N -1.70 2.01 -1.15 0.54 0.00 -1.26 -4.81 120.64 114.26 2jvm n GLU 20 Ca 0.05 -2.52 -0.19 0.00 0.00 0.00 0.00 57.16 54.50 2jvm n GLU 20 Cb 0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 31.44 30.03 2jvm n GLU 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jvm n THR 21 N -0.98 3.00 -2.96 3.84 -1.04 -1.26 -4.25 114.28 110.62 2jvm n THR 21 Ca 0.16 -2.15 -0.44 0.00 -2.04 0.00 0.00 64.05 59.58 2jvm n THR 21 Cb 0.66 -1.57 -0.04 0.00 -1.82 0.00 0.00 70.33 67.56 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 -1.59 4.56 -0.06 12.58 1.01 -1.26 -4.95 120.40 130.68 2jvm s VAL 22 Ca 0.47 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2jvm s VAL 22 Cb 0.30 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2jvm s VAL 22 CO -0.10 -1.34 1.01 -0.69 0.00 0.00 0.00 175.10 173.99 2jvm s VAL 23 N 3.37 4.77 0.09 2.92 1.01 -1.25 -1.05 120.40 130.25 2jvm s VAL 23 Ca 0.19 2.01 0.09 0.00 0.00 0.00 0.00 61.98 64.27 2jvm s VAL 23 Cb -0.18 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2jvm s VAL 23 CO 0.06 0.06 -0.20 0.68 0.00 0.00 0.00 175.10 175.70 2jvm s VAL 24 N 1.65 2.68 -0.78 2.92 -7.23 0.16 -4.92 120.40 114.89 2jvm s VAL 24 Ca 0.50 -1.45 0.20 0.00 -1.81 0.00 0.00 61.98 59.43 2jvm s VAL 24 Cb -0.20 -2.18 -0.24 0.00 0.56 0.00 0.00 36.38 34.32 2jvm s VAL 24 CO 0.22 0.18 0.78 -0.24 -0.31 0.00 0.00 175.10 175.73 2jvm n SER 25 N 1.10 0.82 -4.72 4.85 2.88 -1.26 -1.29 113.62 115.99 2jvm n SER 25 Ca -0.16 -0.79 -0.28 0.00 -1.33 0.00 0.00 58.87 56.31 2jvm n SER 25 Cb 0.53 1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 65.09 2jvm n SER 25 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jvm s THR 26 N -3.00 4.11 -0.11 2.46 -4.23 -1.26 -4.96 115.64 108.66 2jvm s THR 26 Ca 0.05 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 59.56 2jvm s THR 26 Cb 0.15 -3.05 -0.18 0.00 1.34 0.00 0.00 72.50 70.76 2jvm s THR 26 CO 0.83 -0.04 0.70 0.79 -0.54 0.00 0.00 174.62 176.36 2jvm n TRP 27 N 0.00 0.85 -3.17 3.99 7.02 -1.26 -4.62 117.44 120.25 2jvm n TRP 27 Ca -0.09 0.29 -0.44 0.00 -1.02 0.00 0.00 57.50 56.23 2jvm n TRP 27 Cb 0.54 -1.08 -0.05 0.00 -2.42 0.00 0.00 31.31 28.30 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 -2.83 3.06 0.31 -0.99 1.02 -1.26 -0.29 119.74 118.75 2jvm s LYS 28 Ca -0.04 -1.22 0.08 0.00 0.02 0.00 0.00 55.97 54.80 2jvm s LYS 28 Cb 0.08 -4.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2jvm s LYS 28 CO 0.82 -1.37 0.20 0.08 -0.92 0.00 0.00 175.35 174.16 2jvm s VAL 29 N 2.46 3.66 -0.15 3.17 1.01 -0.92 -4.90 120.40 124.73 2jvm s VAL 29 Ca 0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 2jvm s VAL 29 Cb -0.23 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2jvm s VAL 29 CO 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 175.10 174.84 2jvm s ALA 30 N -2.29 2.78 0.08 5.51 0.00 -1.26 0.45 121.76 127.03 2jvm s ALA 30 Ca 0.37 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 2jvm s ALA 30 Cb -0.06 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2jvm s ALA 30 CO 0.24 0.19 0.32 0.00 0.00 0.00 0.00 175.76 176.52 2jvm n ASP 32 N 0.61 -2.94 0.00 0.00 2.03 -1.26 -0.79 116.55 114.20 2jvm n ASP 32 Ca -0.07 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.04 2jvm n ASP 32 Cb 0.52 1.79 0.00 0.00 -0.72 0.00 0.00 41.12 42.71 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 1.84 0.60 0.00 0.27 0.00 -1.17 -4.72 105.19 102.01 2jvm n GLY 33 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.85 3.93 -0.02 0.00 -0.06 -4.71 105.19 103.48 2jvm n GLY 34 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.72 3.49 7.74 1.61 0.41 -1.26 -4.82 118.70 125.16 2jvm s GLU 35 Ca 0.00 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 2jvm s GLU 35 Cb 0.00 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2jvm s GLU 35 CO 0.00 0.48 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 2jvm n GLY 36 N -0.38 3.31 1.69 -1.39 0.00 -1.26 -2.18 105.19 104.99 2jvm n GLY 36 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 11.75 3.36 -2.77 4.61 0.00 -1.26 -4.83 120.51 131.37 2jvm n ALA 37 Ca 0.00 -1.72 -0.44 0.00 0.00 0.00 0.00 53.44 51.28 2jvm n ALA 37 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.17 4.86 0.02 0.00 1.43 -0.93 -5.03 118.68 116.87 2jvm s LEU 38 Ca 0.53 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2jvm s LEU 38 Cb 0.36 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2jvm s LEU 38 CO 0.22 -0.95 0.03 -0.83 0.23 0.00 0.00 176.35 175.04 2jvm s GLY 39 N 2.76 0.18 0.03 -3.19 0.00 -1.26 -0.88 107.32 104.96 2jvm s GLY 39 Ca 0.17 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 2jvm s GLY 39 CO 0.13 -0.55 0.66 -2.38 0.00 0.00 0.00 173.10 170.96 2jvm s HIS 40 N -1.49 -0.60 0.76 1.90 -3.43 -1.26 -4.84 115.29 106.34 2jvm s HIS 40 Ca -0.15 0.77 -0.15 0.00 -0.80 0.00 0.00 55.06 54.73 2jvm s HIS 40 Cb -0.09 0.47 0.05 0.00 -1.43 0.00 0.00 32.58 31.59 2jvm s HIS 40 CO -0.00 -0.70 1.21 -2.30 -2.00 0.00 0.00 174.74 170.95 2jvm n PRO 41 N 0.36 0.44 -1.70 -0.38 -0.02 -1.26 -3.04 135.00 129.39 2jvm n PRO 41 Ca -0.18 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2jvm n PRO 41 Cb 0.60 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2jvm n PRO 41 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jvm n ARG 42 N -2.84 2.49 -4.29 -0.52 0.00 -1.25 -4.67 116.66 105.58 2jvm n ARG 42 Ca 0.14 0.89 -0.16 0.00 -0.00 0.00 0.00 57.85 58.73 2jvm n ARG 42 Cb 0.50 -2.68 -0.10 0.00 0.00 0.00 0.00 32.46 30.18 2jvm n ARG 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2jvm s VAL 43 N 0.69 1.29 -0.14 5.15 1.01 0.03 -4.95 120.40 123.48 2jvm s VAL 43 Ca 0.73 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 2jvm s VAL 43 Cb -0.57 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2jvm s VAL 43 CO 0.40 -0.64 0.23 0.26 0.00 0.00 0.00 175.10 175.34 2jvm s TRP 44 N -3.25 3.52 0.42 5.22 0.52 -1.26 -0.39 118.94 123.72 2jvm s TRP 44 Ca 0.20 0.57 0.06 0.00 0.02 0.00 0.00 56.10 56.95 2jvm s TRP 44 Cb 0.02 -2.19 -0.07 0.00 -1.15 0.00 0.00 33.47 30.08 2jvm s TRP 44 CO 0.03 0.43 0.02 -0.51 0.02 0.00 0.00 176.95 176.94 2jvm s LEU 45 N -0.13 2.70 -0.03 2.99 1.43 0.17 -4.92 118.68 120.88 2jvm s LEU 45 Ca 0.15 -1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2jvm s LEU 45 Cb -0.13 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2jvm s LEU 45 CO 0.04 -0.54 0.03 -0.55 0.23 0.00 0.00 176.35 175.55 2jvm s SER 46 N -3.72 0.58 -0.14 2.29 0.15 -1.26 -2.17 113.70 109.43 2jvm s SER 46 Ca 0.30 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 2jvm s SER 46 Cb 0.08 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2jvm s SER 46 CO 0.15 -0.16 0.81 -0.63 1.20 0.00 0.00 173.24 174.61 2jvm s ILE 47 N 1.44 4.92 0.22 6.45 1.01 0.60 -4.90 121.20 130.93 2jvm s ILE 47 Ca -0.04 1.60 -0.31 0.00 0.00 0.00 0.00 60.65 61.90 2jvm s ILE 47 Cb -0.13 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 2jvm s ILE 47 CO -0.03 0.08 1.53 -2.84 0.00 0.00 0.00 174.94 173.68 2jvm s PRO 48 N 1.84 4.21 0.15 2.79 0.02 -1.26 -4.92 135.00 137.83 2jvm s PRO 48 Ca 0.38 2.39 0.26 0.00 0.02 0.00 0.00 61.00 64.06 2jvm s PRO 48 Cb -0.17 -3.11 0.82 0.00 0.02 0.00 0.00 34.50 32.06 2jvm s PRO 48 CO 0.14 -0.55 1.74 0.72 -0.33 0.00 0.00 177.00 178.72 2jvm n HIS 49 N 3.06 0.68 -0.01 6.54 8.25 -1.26 -1.87 115.22 130.61 2jvm n HIS 49 Ca 0.10 0.20 -0.04 0.00 -0.26 0.00 0.00 57.72 57.72 2jvm n HIS 49 Cb 0.39 -0.80 -0.12 0.00 1.12 0.00 0.00 29.99 30.58 2jvm n HIS 49 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2jvm n GLU 50 N -2.07 0.64 -0.06 -0.41 0.00 -1.26 -4.39 120.64 113.08 2jvm n GLU 50 Ca 0.06 0.21 -0.22 0.00 0.00 0.00 0.00 57.16 57.20 2jvm n GLU 50 Cb 0.41 -1.75 -0.13 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 -2.91 1.65 -0.29 3.84 -2.24 -1.21 -5.01 114.28 108.11 2jvm n THR 51 Ca -0.15 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2jvm n THR 51 Cb 0.96 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 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 1.75 0.71 3.06 3.38 0.00 -0.78 -4.97 105.19 108.35 2jvm n GLY 52 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.41 0.55 -0.16 1.61 -0.12 -1.26 -1.62 117.98 114.56 2jvm s PHE 53 Ca 0.00 -0.73 -0.00 0.00 -0.05 0.00 0.00 56.93 56.15 2jvm s PHE 53 Cb 0.00 -0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.03 2jvm s PHE 53 CO 0.00 -0.20 -0.15 0.54 -0.05 0.00 0.00 175.22 175.36 2jvm s VAL 54 N -2.47 2.66 -0.37 -2.49 0.11 -0.98 -4.22 120.40 112.64 2jvm s VAL 54 Ca -0.03 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 2jvm s VAL 54 Cb -0.03 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 2jvm s VAL 54 CO -0.04 0.51 0.58 -1.61 -3.33 0.00 0.00 175.10 171.21 2jvm s GLU 55 N 0.93 3.58 0.44 1.54 0.41 -1.26 -3.49 118.70 120.85 2jvm s GLU 55 Ca -0.03 -0.12 -0.24 0.00 -0.41 0.00 0.00 54.97 54.17 2jvm s GLU 55 Cb -0.15 -3.83 -0.08 0.00 -1.78 0.00 0.00 34.13 28.29 2jvm s GLU 55 CO -0.02 -0.73 1.19 0.00 -0.49 0.00 0.00 175.26 175.21 2jvm n GLY 57 N 0.55 4.03 0.00 0.00 0.00 -1.26 -4.53 105.19 103.97 2jvm n GLY 57 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.54 0.00 -3.83 1.61 4.19 -1.26 -5.12 117.16 112.21 2jvm n TYR 58 Ca 0.20 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.34 2jvm n TYR 58 Cb 0.83 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.67 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2jvm n ASP 60 N -0.99 6.13 -4.40 0.00 2.03 -1.26 -4.50 116.55 113.56 2jvm n ASP 60 Ca -0.06 -2.94 -0.38 0.00 0.52 0.00 0.00 54.79 51.93 2jvm n ASP 60 Cb 0.60 -1.19 -0.12 0.00 -0.72 0.00 0.00 41.12 39.69 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 -1.10 3.25 -0.12 -0.67 1.81 -1.26 -4.91 118.95 115.95 2jvm s ARG 61 Ca 0.43 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 53.68 2jvm s ARG 61 Cb 0.27 -3.47 -0.01 0.00 -0.45 0.00 0.00 34.95 31.29 2jvm s ARG 61 CO -0.08 -0.42 -0.14 0.50 -0.68 0.00 0.00 175.30 174.48 2jvm s ARG 62 N 1.57 3.30 -0.03 3.54 3.52 -1.26 -3.69 118.95 125.90 2jvm s ARG 62 Ca 0.04 -0.71 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 2jvm s ARG 62 Cb -0.17 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 2jvm s ARG 62 CO 0.04 0.23 -0.17 0.71 -0.81 0.00 0.00 175.30 175.30 2jvm s TYR 63 N 0.30 2.61 -0.14 5.12 2.02 -1.23 -4.26 117.35 121.77 2jvm s TYR 63 Ca -0.11 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2jvm s TYR 63 Cb -0.16 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2jvm s TYR 63 CO 0.06 0.14 -0.16 0.42 -1.57 0.00 0.00 175.55 174.44 2jvm s ILE 64 N -0.72 2.67 0.45 2.71 -1.09 -0.21 -2.31 121.20 122.69 2jvm s ILE 64 Ca 0.11 -0.79 -0.24 0.00 -2.23 0.00 0.00 60.65 57.51 2jvm s ILE 64 Cb -0.10 -2.10 -0.07 0.00 -1.58 0.00 0.00 42.46 38.60 2jvm s ILE 64 CO 0.01 0.53 1.20 -2.28 -1.23 0.00 0.00 174.94 173.16 2jvm s HIS 65 N 0.58 2.85 0.47 3.97 5.65 -0.64 -0.67 115.29 127.50 2jvm s HIS 65 Ca -0.10 1.51 0.22 0.00 0.25 0.00 0.00 55.06 56.94 2jvm s HIS 65 Cb -0.16 -3.46 1.23 0.00 -1.18 0.00 0.00 32.58 29.01 2jvm s HIS 65 CO 0.03 -1.67 1.91 1.05 -0.65 0.00 0.00 174.74 175.42 2jvm h GLU 66 N 2.18 0.23 -0.09 2.88 4.11 -1.53 0.11 114.58 122.48 2jvm h GLU 66 Ca -0.49 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 58.79 2jvm h GLU 66 Cb 1.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2jvm h GLU 66 CO 0.61 0.15 -0.54 1.03 0.07 0.00 0.00 179.01 180.33 2jvm h SER 67 N 0.24 0.27 0.95 3.06 0.87 -1.90 -2.42 113.55 114.61 2jvm h SER 67 Ca 0.39 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2jvm h SER 67 Cb 1.16 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2jvm h SER 67 CO -0.09 0.76 -0.77 0.15 -0.53 0.00 0.00 176.83 176.36 2jvm h PHE 68 N 0.19 0.00 -0.02 2.24 3.57 -1.24 -3.34 116.94 118.35 2jvm h PHE 68 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2jvm h PHE 68 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2jvm h PHE 68 CO 0.02 0.00 -0.13 0.00 -2.23 0.00 0.00 178.31 175.97 2jvm h ALA 69 N 2.28 0.04 -0.63 2.41 0.00 -0.57 -3.21 119.26 119.59 2jvm h ALA 69 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 54.91 54.10 2jvm h ALA 69 Cb 0.86 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.47 2jvm h ALA 69 CO 0.00 -0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.78 2jvm n ALA 70 N -2.48 5.44 -1.08 0.00 0.00 -0.94 -4.54 120.51 116.92 2jvm n ALA 70 Ca -0.09 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.18 2jvm n ALA 70 Cb 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm n ALA 71 N -0.03 0.00 -0.09 0.00 0.00 -1.21 -4.95 120.51 114.23 2jvm n ALA 71 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 2jvm n ALA 71 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.29 0.51 -3.30 0.00 4.81 -1.26 -4.97 118.16 112.67 2jvm n LYS 72 Ca 0.00 0.52 -0.18 0.00 -0.87 0.00 0.00 58.31 57.78 2jvm n LYS 72 Cb 0.00 -1.70 -0.00 0.00 0.02 0.00 0.00 35.03 33.35 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jvm s LEU 73 N -8.01 3.78 -0.19 3.14 1.43 -1.26 -5.07 118.68 112.49 2jvm s LEU 73 Ca -0.23 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 2jvm s LEU 73 Cb 0.05 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 2jvm s LEU 73 CO 0.41 -0.58 -0.31 -0.62 0.23 0.00 0.00 176.35 175.48 2jvm n GLU 74 N -1.70 0.49 -1.20 1.70 -0.58 -1.26 -4.52 120.64 113.56 2jvm n GLU 74 Ca 0.03 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.91 2jvm n GLU 74 Cb 0.59 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 2jvm n GLU 74 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jvm n HIS 75 N -4.25 0.00 -4.65 -0.32 8.25 -1.26 -4.90 115.22 108.10 2jvm n HIS 75 Ca -0.27 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.86 2jvm n HIS 75 Cb 0.61 -1.99 -0.11 0.00 1.12 0.00 0.00 29.99 29.61 2jvm n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvm s HIS 76 N -1.85 2.92 0.50 4.41 5.04 -1.26 -5.09 115.29 119.96 2jvm s HIS 76 Ca 0.00 0.01 -0.23 0.00 -1.54 0.00 0.00 55.06 53.30 2jvm s HIS 76 Cb 0.00 -1.70 -0.06 0.00 0.04 0.00 0.00 32.58 30.85 2jvm s HIS 76 CO 0.00 0.32 1.33 -1.01 -2.34 0.00 0.00 174.74 173.04 2jvm s HIS 77 N -0.80 2.46 -0.12 3.88 3.76 -1.26 -5.02 115.29 118.18 2jvm s HIS 77 Ca 0.12 1.39 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 2jvm s HIS 77 Cb -0.11 -3.73 0.01 0.00 1.11 0.00 0.00 32.58 29.86 2jvm s HIS 77 CO 0.01 -2.59 -0.17 -1.01 -0.85 0.00 0.00 174.74 170.13 2jvm s HIS 78 N -1.33 2.17 -0.19 1.40 0.09 -1.26 -5.11 115.29 111.06 2jvm s HIS 78 Ca 0.67 -1.06 -0.06 0.00 -0.00 0.00 0.00 55.06 54.61 2jvm s HIS 78 Cb -0.39 -1.54 -0.03 0.00 -0.00 0.00 0.00 32.58 30.62 2jvm s HIS 78 CO 0.47 -0.53 0.03 -1.58 -0.00 0.00 0.00 174.74 173.13 2jvm s HIS 79 N 0.99 3.14 -2.90 1.40 5.65 -1.26 -5.31 115.29 117.00 2jvm s HIS 79 Ca -0.06 -0.16 0.23 0.00 0.25 0.00 0.00 55.06 55.33 2jvm s HIS 79 Cb -0.15 -2.07 0.18 0.00 -1.18 0.00 0.00 32.58 29.37 2jvm s HIS 79 CO -0.03 -0.02 1.23 -2.39 -0.65 0.00 0.00 174.74 172.89