#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 3.02 0.36 2.12 0.52 -1.26 -4.95 118.95 118.76 2jvm s ARG 2 Ca 0.00 1.75 0.07 0.00 -0.52 0.00 0.00 55.73 57.03 2jvm s ARG 2 Cb 0.00 -4.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.10 2jvm s ARG 2 CO 0.00 -2.23 0.47 -0.98 0.02 0.00 0.00 175.30 172.59 2jvm s ARG 3 N 6.47 2.97 -0.25 3.54 1.70 -1.26 -5.08 118.95 127.03 2jvm s ARG 3 Ca 0.94 -1.13 -0.20 0.00 -0.47 0.00 0.00 55.73 54.87 2jvm s ARG 3 Cb -0.28 -2.75 -0.02 0.00 -0.57 0.00 0.00 34.95 31.34 2jvm s ARG 3 CO 0.33 -0.04 0.59 -0.65 -1.08 0.00 0.00 175.30 174.46 2jvm s GLN 4 N -4.20 4.11 0.26 3.89 1.11 -1.26 -5.05 119.66 118.51 2jvm s GLN 4 Ca 0.47 0.49 -0.30 0.00 0.01 0.00 0.00 55.36 56.04 2jvm s GLN 4 Cb -0.09 -3.64 -0.09 0.00 -1.01 0.00 0.00 33.01 28.17 2jvm s GLN 4 CO 0.31 -0.38 1.26 -1.25 0.01 0.00 0.00 175.29 175.24 2jvm s PRO 5 N 2.39 4.44 -0.07 2.91 0.04 -1.26 -4.95 135.00 138.50 2jvm s PRO 5 Ca 0.25 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 2jvm s PRO 5 Cb -0.16 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2jvm s PRO 5 CO 0.09 -0.12 1.75 0.21 0.04 0.00 0.00 177.00 178.97 2jvm s LYS 6 N -0.95 4.04 0.32 4.56 2.20 -1.26 -4.95 119.74 123.70 2jvm s LYS 6 Ca 0.51 2.18 -0.28 0.00 -0.36 0.00 0.00 55.97 58.03 2jvm s LYS 6 Cb -0.36 -4.06 -0.09 0.00 -1.51 0.00 0.00 37.83 31.81 2jvm s LYS 6 CO 0.43 -1.03 1.10 0.95 -0.36 0.00 0.00 175.35 176.44 2jvm s THR 7 N 4.60 3.50 -0.35 3.43 -4.23 -1.26 -5.02 115.64 116.31 2jvm s THR 7 Ca 0.78 1.38 -0.07 0.00 -1.18 0.00 0.00 61.69 62.61 2jvm s THR 7 Cb -0.34 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.72 2jvm s THR 7 CO 0.32 0.24 0.12 -0.13 -0.54 0.00 0.00 174.62 174.63 2jvm s ARG 8 N -1.82 2.60 -1.25 3.99 0.52 -1.26 -5.01 118.95 116.73 2jvm s ARG 8 Ca 0.49 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 2jvm s ARG 8 Cb -0.29 -3.50 0.18 0.00 0.52 0.00 0.00 34.95 31.85 2jvm s ARG 8 CO 0.37 -0.70 1.72 1.04 0.02 0.00 0.00 175.30 177.75 2jvm n GLN 9 N 4.82 3.59 -3.85 3.54 6.02 -1.26 -4.91 117.38 125.33 2jvm n GLN 9 Ca -0.12 -3.69 -0.23 0.00 -0.01 0.00 0.00 57.00 52.96 2jvm n GLN 9 Cb 0.44 -2.93 -0.17 0.00 1.02 0.00 0.00 30.24 28.60 2jvm n GLN 9 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2jvm s GLU 10 N 0.54 0.74 -0.05 -1.09 -1.05 -1.26 -4.98 118.70 111.55 2jvm s GLU 10 Ca 0.40 0.03 0.09 0.00 -0.15 0.00 0.00 54.97 55.34 2jvm s GLU 10 Cb 0.05 -1.01 0.16 0.00 -0.44 0.00 0.00 34.13 32.90 2jvm s GLU 10 CO 0.01 -0.26 1.08 0.45 0.95 0.00 0.00 175.26 177.49 2jvm n SER 11 N 4.92 0.88 -4.56 0.83 2.88 -1.26 -5.03 113.62 112.28 2jvm n SER 11 Ca -0.11 -2.42 -0.43 0.00 -1.33 0.00 0.00 58.87 54.58 2jvm n SER 11 Cb 0.50 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.99 3.16 0.11 -1.46 0.00 -1.26 -5.02 121.76 116.29 2jvm s ALA 12 Ca 0.15 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2jvm s ALA 12 Cb 0.15 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 2jvm s ALA 12 CO -0.02 -2.30 0.51 0.50 0.00 0.00 0.00 175.76 174.45 2jvm s ARG 13 N 4.12 3.96 -0.80 0.00 3.52 -1.26 -4.48 118.95 124.01 2jvm s ARG 13 Ca 0.37 0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 56.41 2jvm s ARG 13 Cb -0.10 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 2jvm s ARG 13 CO 0.24 0.53 0.72 -1.33 -0.81 0.00 0.00 175.30 174.66 2jvm n MET 14 N 1.03 -1.46 -3.91 5.12 2.81 -1.26 -4.99 117.12 114.45 2jvm n MET 14 Ca -0.07 1.33 -0.33 0.00 -1.81 0.00 0.00 57.70 56.81 2jvm n MET 14 Cb 0.52 -5.46 -0.13 0.00 -0.71 0.00 0.00 33.22 27.43 2jvm n MET 14 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jvm s SER 15 N -3.06 4.97 0.42 7.83 0.15 -1.26 -5.10 113.70 117.65 2jvm s SER 15 Ca 0.08 -2.03 0.07 0.00 0.70 0.00 0.00 55.95 54.76 2jvm s SER 15 Cb -0.01 -1.72 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2jvm s SER 15 CO 0.76 -0.44 0.57 -0.63 1.20 0.00 0.00 173.24 174.71 2jvm s ILE 16 N 1.03 3.23 -0.46 6.45 1.09 -1.26 -5.10 121.20 126.17 2jvm s ILE 16 Ca 0.08 -0.95 0.07 0.00 -1.10 0.00 0.00 60.65 58.75 2jvm s ILE 16 Cb -0.21 -3.10 0.18 0.00 -1.06 0.00 0.00 42.46 38.28 2jvm s ILE 16 CO -0.06 -0.04 0.68 -0.70 -0.10 0.00 0.00 174.94 174.72 2jvm s GLU 17 N -4.36 0.95 0.25 2.79 2.12 -1.26 -5.12 118.70 114.07 2jvm s GLU 17 Ca 0.53 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2jvm s GLU 17 Cb -0.10 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2jvm s GLU 17 CO 0.33 -1.26 0.00 0.00 -0.54 0.00 0.00 175.26 173.80 2jvm n ALA 18 N 3.69 -1.95 -1.15 6.30 0.00 -1.26 -5.00 120.51 121.15 2jvm n ALA 18 Ca 0.14 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 2jvm n ALA 18 Cb 0.57 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 19.23 2jvm n ALA 18 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jvm s PRO 19 N -4.36 -0.06 -0.18 0.00 0.02 -1.26 -4.89 135.00 124.27 2jvm s PRO 19 Ca 0.00 0.35 -0.32 0.00 0.02 0.00 0.00 61.00 61.05 2jvm s PRO 19 Cb 0.00 -1.70 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 2jvm s PRO 19 CO 0.00 -3.02 2.09 0.39 -0.33 0.00 0.00 177.00 176.13 2jvm n GLU 20 N -4.35 1.93 -3.71 5.54 1.02 -1.26 -4.78 120.64 115.03 2jvm n GLU 20 Ca 0.07 0.62 -0.36 0.00 -0.02 0.00 0.00 57.16 57.46 2jvm n GLU 20 Cb 0.58 -2.86 -0.10 0.00 -0.02 0.00 0.00 31.44 29.05 2jvm n GLU 20 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2jvm s THR 21 N 6.39 5.24 -0.20 2.62 -1.32 -1.26 -1.91 115.64 125.20 2jvm s THR 21 Ca 0.99 0.14 -0.06 0.00 -1.21 0.00 0.00 61.69 61.55 2jvm s THR 21 Cb -0.57 -3.43 -0.03 0.00 -1.51 0.00 0.00 72.50 66.95 2jvm s THR 21 CO 0.44 0.36 0.03 -0.69 -2.21 0.00 0.00 174.62 172.56 2jvm s VAL 22 N 0.96 4.29 -0.22 5.08 1.01 0.10 -4.96 120.40 126.67 2jvm s VAL 22 Ca 0.07 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2jvm s VAL 22 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2jvm s VAL 22 CO 0.04 0.43 0.65 -0.69 0.00 0.00 0.00 175.10 175.52 2jvm s VAL 23 N 0.85 4.99 0.07 2.92 1.01 -1.26 -0.38 120.40 128.61 2jvm s VAL 23 Ca 0.02 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.27 2jvm s VAL 23 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2jvm s VAL 23 CO 0.02 0.07 -0.17 0.68 0.00 0.00 0.00 175.10 175.70 2jvm s VAL 24 N 2.17 1.36 -1.33 2.92 -7.23 0.03 -4.87 120.40 113.44 2jvm s VAL 24 Ca 0.29 -1.28 0.25 0.00 -1.81 0.00 0.00 61.98 59.43 2jvm s VAL 24 Cb -0.16 -1.25 0.08 0.00 0.56 0.00 0.00 36.38 35.62 2jvm s VAL 24 CO 0.10 -0.06 1.41 -1.54 -0.31 0.00 0.00 175.10 174.70 2jvm n SER 25 N 1.46 0.80 -4.84 4.85 3.41 -1.26 -0.74 113.62 117.30 2jvm n SER 25 Ca -0.19 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.44 2jvm n SER 25 Cb 0.54 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 2jvm n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jvm s THR 26 N -2.79 5.37 0.02 6.66 2.01 -1.26 -4.93 115.64 120.72 2jvm s THR 26 Ca 0.16 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2jvm s THR 26 Cb 0.18 -3.50 -0.34 0.00 0.01 0.00 0.00 72.50 68.85 2jvm s THR 26 CO 0.64 0.57 0.94 -0.50 -0.69 0.00 0.00 174.62 175.57 2jvm h TRP 27 N 5.28 0.89 -3.63 4.92 4.06 -1.93 -3.43 115.95 122.12 2jvm h TRP 27 Ca -0.51 -0.65 -0.66 0.00 2.06 0.00 0.00 58.89 59.13 2jvm h TRP 27 Cb 1.21 -0.04 -0.17 0.00 -1.00 0.00 0.00 29.16 29.17 2jvm h TRP 27 CO 0.71 1.57 -0.20 0.15 -3.56 0.00 0.00 178.44 177.11 2jvm s LYS 28 N -2.60 3.51 -0.11 0.49 1.02 -1.26 0.15 119.74 120.93 2jvm s LYS 28 Ca -0.10 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2jvm s LYS 28 Cb 0.05 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2jvm s LYS 28 CO 0.92 -0.61 -0.18 0.14 -0.92 0.00 0.00 175.35 174.70 2jvm s VAL 29 N 2.16 2.62 -0.56 3.17 -7.23 0.50 -4.96 120.40 116.10 2jvm s VAL 29 Ca 0.14 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.26 2jvm s VAL 29 Cb -0.16 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.78 2jvm s VAL 29 CO 0.12 0.54 0.85 0.00 -0.31 0.00 0.00 175.10 176.31 2jvm s ALA 30 N 0.25 3.22 0.19 1.32 0.00 -1.26 -0.46 121.76 125.02 2jvm s ALA 30 Ca -0.12 -1.51 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 2jvm s ALA 30 Cb -0.16 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 2jvm s ALA 30 CO 0.06 -2.34 0.85 0.00 0.00 0.00 0.00 175.76 174.34 2jvm n ASP 32 N 1.68 1.28 0.00 0.00 2.03 -1.26 -0.93 116.55 119.36 2jvm n ASP 32 Ca -0.04 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2jvm n ASP 32 Cb 0.48 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.51 2.20 0.00 0.27 0.00 -1.25 -3.84 105.19 102.06 2jvm n GLY 33 Ca 0.04 -0.03 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 5.86 3.79 -0.02 0.00 -0.67 -4.87 105.19 109.28 2jvm n GLY 34 Ca 0.00 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 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 1.64 2.25 4.76 1.61 2.02 -1.25 -4.79 118.70 124.95 2jvm s GLU 35 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.06 2jvm s GLU 35 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.24 2jvm s GLU 35 CO 0.00 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2jvm n GLY 36 N -1.40 1.29 0.95 -1.39 0.00 -1.26 -1.78 105.19 101.60 2jvm n GLY 36 Ca -0.03 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 7.02 2.18 -2.77 4.61 0.00 -1.26 -5.10 120.51 125.19 2jvm n ALA 37 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 53.44 51.56 2jvm n ALA 37 Cb 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 0.00 3.75 0.00 0.00 1.43 -0.73 -5.00 118.68 118.14 2jvm s LEU 38 Ca 0.15 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2jvm s LEU 38 Cb 0.17 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2jvm s LEU 38 CO -0.08 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.27 2jvm n GLY 39 N 0.34 0.22 3.57 -3.19 0.00 -1.26 -1.67 105.19 103.20 2jvm n GLY 39 Ca -0.09 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 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 2.46 1.07 1.61 -3.43 -1.25 -4.89 115.29 110.87 2jvm s HIS 40 Ca 0.00 -0.41 -0.12 0.00 -0.80 0.00 0.00 55.06 53.73 2jvm s HIS 40 Cb 0.00 -1.32 0.23 0.00 -1.43 0.00 0.00 32.58 30.07 2jvm s HIS 40 CO 0.00 0.58 1.06 -1.25 -2.00 0.00 0.00 174.74 173.13 2jvm s PRO 41 N -3.63 -0.18 -0.09 -0.38 0.04 -1.26 -3.90 135.00 125.58 2jvm s PRO 41 Ca 0.33 0.93 -0.33 0.00 0.04 0.00 0.00 61.00 61.96 2jvm s PRO 41 Cb -0.01 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 2jvm s PRO 41 CO 0.18 -3.26 1.94 -2.13 0.04 0.00 0.00 177.00 173.78 2jvm n ARG 42 N -4.60 2.22 -4.45 4.56 0.63 -1.26 -4.62 116.66 109.15 2jvm n ARG 42 Ca 0.05 0.79 -0.25 0.00 -0.92 0.00 0.00 57.85 57.52 2jvm n ARG 42 Cb 0.54 -2.74 -0.11 0.00 0.45 0.00 0.00 32.46 30.60 2jvm n ARG 42 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jvm s VAL 43 N 4.67 2.42 -0.27 5.15 1.01 -0.10 -4.96 120.40 128.32 2jvm s VAL 43 Ca 0.94 -2.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 2jvm s VAL 43 Cb -0.63 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2jvm s VAL 43 CO 0.49 -0.26 0.05 0.26 0.00 0.00 0.00 175.10 175.64 2jvm s TRP 44 N -2.10 3.10 0.31 5.22 0.52 -1.26 -0.42 118.94 124.30 2jvm s TRP 44 Ca 0.25 -0.87 0.09 0.00 0.02 0.00 0.00 56.10 55.60 2jvm s TRP 44 Cb -0.06 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2jvm s TRP 44 CO 0.12 -0.53 -0.00 -0.51 0.02 0.00 0.00 176.95 176.05 2jvm s LEU 45 N 1.51 3.05 -0.02 2.99 1.43 0.39 -4.98 118.68 123.05 2jvm s LEU 45 Ca 0.04 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2jvm s LEU 45 Cb -0.16 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2jvm s LEU 45 CO 0.01 -0.13 0.03 -0.55 0.23 0.00 0.00 176.35 175.95 2jvm s SER 46 N -3.69 0.10 -0.27 2.29 0.15 -1.26 -0.37 113.70 110.65 2jvm s SER 46 Ca 0.33 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.73 2jvm s SER 46 Cb -0.03 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 2jvm s SER 46 CO 0.19 -0.13 1.51 -0.63 1.20 0.00 0.00 173.24 175.38 2jvm s ILE 47 N 1.11 3.84 0.24 6.45 1.01 0.12 -4.87 121.20 129.10 2jvm s ILE 47 Ca -0.09 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 2jvm s ILE 47 Cb -0.13 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 2jvm s ILE 47 CO -0.03 -0.39 1.36 -2.84 0.00 0.00 0.00 174.94 173.03 2jvm s PRO 48 N 4.58 4.34 0.00 2.79 0.02 -1.26 -4.88 135.00 140.59 2jvm s PRO 48 Ca 0.66 2.17 0.22 0.00 0.02 0.00 0.00 61.00 64.07 2jvm s PRO 48 Cb -0.21 -3.15 1.32 0.00 0.02 0.00 0.00 34.50 32.48 2jvm s PRO 48 CO 0.28 -0.31 1.70 0.72 -0.33 0.00 0.00 177.00 179.07 2jvm n HIS 49 N 2.28 0.00 0.61 6.54 8.25 -1.26 -1.47 115.22 130.17 2jvm n HIS 49 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 2jvm n HIS 49 Cb 0.42 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.98 0.26 0.00 -0.41 0.28 -1.26 -4.66 120.64 113.87 2jvm n GLU 50 Ca 0.17 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2jvm n GLU 50 Cb 0.08 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.41 2jvm n GLU 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jvm n THR 51 N -1.84 0.00 0.00 3.84 -2.24 -0.89 -5.04 114.28 108.11 2jvm n THR 51 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2jvm n THR 51 Cb 0.42 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 3.02 0.31 3.67 3.38 0.00 -0.54 -5.04 105.19 109.99 2jvm n GLY 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.17 -0.00 1.61 -0.71 -1.26 -1.84 117.98 113.60 2jvm s PHE 53 Ca 0.00 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 55.68 2jvm s PHE 53 Cb 0.00 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.36 2jvm s PHE 53 CO 0.00 -1.07 0.00 0.54 -1.34 0.00 0.00 175.22 173.36 2jvm s VAL 54 N -3.89 -0.00 -0.13 -2.49 0.11 0.72 -4.40 120.40 110.32 2jvm s VAL 54 Ca 0.10 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2jvm s VAL 54 Cb -0.03 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2jvm s VAL 54 CO 0.01 0.02 0.02 -1.61 -3.33 0.00 0.00 175.10 170.21 2jvm s GLU 55 N 0.19 3.48 0.41 1.54 2.02 -1.26 -1.30 118.70 123.77 2jvm s GLU 55 Ca -0.02 -0.40 -0.23 0.00 0.02 0.00 0.00 54.97 54.34 2jvm s GLU 55 Cb -0.02 -2.97 -0.09 0.00 0.10 0.00 0.00 34.13 31.15 2jvm s GLU 55 CO -0.01 0.46 1.05 0.00 0.02 0.00 0.00 175.26 176.79 2jvm n GLY 57 N 0.26 -1.17 0.08 0.00 0.00 -1.26 -4.50 105.19 98.60 2jvm n GLY 57 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.23 0.88 -3.42 1.61 4.02 -1.26 -4.99 117.16 111.77 2jvm n TYR 58 Ca -0.01 0.38 -0.19 0.00 -0.01 0.00 0.00 57.90 58.07 2jvm n TYR 58 Cb 0.51 -0.83 -0.01 0.00 -0.02 0.00 0.00 39.34 38.99 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jvm n ASP 60 N -1.63 1.54 -4.79 0.00 9.92 -1.26 -4.29 116.55 116.04 2jvm n ASP 60 Ca 0.03 -1.78 -0.35 0.00 -0.53 0.00 0.00 54.79 52.16 2jvm n ASP 60 Cb 0.60 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2jvm s ARG 61 N -1.74 3.79 0.08 -1.24 3.52 -1.26 -4.64 118.95 117.46 2jvm s ARG 61 Ca 0.28 1.50 0.09 0.00 -0.13 0.00 0.00 55.73 57.47 2jvm s ARG 61 Cb 0.15 -2.22 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2jvm s ARG 61 CO 0.22 -0.46 -0.23 0.50 -0.81 0.00 0.00 175.30 174.52 2jvm s ARG 62 N -3.00 1.40 -0.12 5.12 3.52 -0.80 -2.83 118.95 122.24 2jvm s ARG 62 Ca 0.66 -1.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2jvm s ARG 62 Cb -0.21 -1.64 0.02 0.00 -1.56 0.00 0.00 34.95 31.56 2jvm s ARG 62 CO 0.25 0.40 -0.13 0.71 -0.81 0.00 0.00 175.30 175.72 2jvm s TYR 63 N -0.95 1.93 0.02 5.12 1.51 -0.42 0.01 117.35 124.57 2jvm s TYR 63 Ca 0.09 -0.98 0.08 0.00 -1.01 0.00 0.00 57.07 55.25 2jvm s TYR 63 Cb -0.10 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2jvm s TYR 63 CO 0.03 -0.55 -0.23 0.42 -1.11 0.00 0.00 175.55 174.12 2jvm s ILE 64 N 1.29 1.82 0.41 2.71 1.01 0.49 -0.20 121.20 128.73 2jvm s ILE 64 Ca -0.01 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.23 2jvm s ILE 64 Cb -0.14 -1.55 -0.08 0.00 0.01 0.00 0.00 42.46 40.70 2jvm s ILE 64 CO -0.06 0.35 1.24 -2.28 0.00 0.00 0.00 174.94 174.19 2jvm s HIS 65 N -0.70 2.91 0.32 3.97 5.65 -0.77 -0.79 115.29 125.88 2jvm s HIS 65 Ca 0.09 1.48 0.10 0.00 0.25 0.00 0.00 55.06 56.98 2jvm s HIS 65 Cb -0.09 -3.54 0.89 0.00 -1.18 0.00 0.00 32.58 28.66 2jvm s HIS 65 CO 0.01 -1.75 1.74 1.05 -0.65 0.00 0.00 174.74 175.14 2jvm h GLU 66 N 2.57 0.57 0.00 2.88 4.11 -1.27 -1.38 114.58 122.05 2jvm h GLU 66 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2jvm h GLU 66 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2jvm h GLU 66 CO 0.62 0.38 0.00 0.77 0.07 0.00 0.00 179.01 180.85 2jvm h SER 67 N 0.58 0.00 1.66 3.06 0.02 -1.91 -1.79 113.55 115.17 2jvm h SER 67 Ca 0.64 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.53 2jvm h SER 67 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2jvm h SER 67 CO -0.46 0.00 -0.35 0.15 -1.14 0.00 0.00 176.83 175.03 2jvm h PHE 68 N 0.00 0.00 -0.03 3.45 3.57 -1.60 -3.22 116.94 119.10 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 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2jvm h PHE 68 CO 0.00 0.25 0.00 0.00 -2.23 0.00 0.00 178.31 176.33 2jvm n ALA 69 N -2.17 2.60 0.09 2.41 0.00 -0.67 -3.31 120.51 119.45 2jvm n ALA 69 Ca 0.02 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 2jvm n ALA 69 Cb 0.64 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 2jvm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm h ALA 70 N 3.76 0.12 0.00 0.00 0.00 -1.65 -3.47 119.26 118.02 2jvm h ALA 70 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2jvm h ALA 70 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jvm h ALA 70 CO 0.00 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2jvm n ALA 71 N -2.62 0.00 -2.57 0.00 0.00 -1.21 -4.70 120.51 109.41 2jvm n ALA 71 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 2jvm n ALA 71 Cb 0.95 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.31 2jvm n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jvm s LYS 72 N 0.00 3.00 0.28 0.00 3.01 -1.26 -5.06 119.74 119.71 2jvm s LYS 72 Ca 0.00 -1.05 -0.02 0.00 -1.01 0.00 0.00 55.97 53.90 2jvm s LYS 72 Cb 0.00 -4.02 0.06 0.00 -1.01 0.00 0.00 37.83 32.86 2jvm s LYS 72 CO 0.00 -0.85 0.39 1.28 0.51 0.00 0.00 175.35 176.67 2jvm n LEU 73 N 5.29 0.00 0.00 3.17 4.77 -1.26 -5.00 117.00 123.97 2jvm n LEU 73 Ca -0.10 -0.68 -0.09 0.00 -0.03 0.00 0.00 56.01 55.10 2jvm n LEU 73 Cb 0.46 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2jvm n LEU 73 CO 0.44 -0.72 0.48 1.05 -1.33 0.00 0.00 177.39 177.31 2jvm h GLU 74 N 0.00 0.57 -6.04 3.23 -0.00 -2.01 -3.36 114.58 106.97 2jvm h GLU 74 Ca -0.13 -0.35 -0.59 0.00 -0.00 0.00 0.00 59.36 58.29 2jvm h GLU 74 Cb 0.43 0.04 -0.09 0.00 -0.00 0.00 0.00 28.75 29.12 2jvm h GLU 74 CO 0.12 0.96 1.55 -1.01 -0.00 0.00 0.00 179.01 180.63 2jvm s HIS 75 N -4.01 2.51 -0.29 2.06 3.76 -1.26 -4.96 115.29 113.10 2jvm s HIS 75 Ca -0.07 -0.84 -0.29 0.00 -0.15 0.00 0.00 55.06 53.70 2jvm s HIS 75 Cb 0.11 -4.65 -0.01 0.00 1.11 0.00 0.00 32.58 29.14 2jvm s HIS 75 CO 0.84 -1.90 1.44 -1.01 -0.85 0.00 0.00 174.74 173.26 2jvm s HIS 76 N 5.29 2.42 -1.33 1.40 3.76 -1.26 -4.86 115.29 120.72 2jvm s HIS 76 Ca 0.49 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 2jvm s HIS 76 Cb 0.00 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.70 2jvm s HIS 76 CO -0.06 -2.20 0.67 1.58 -0.85 0.00 0.00 174.74 173.88 2jvm n HIS 77 N 8.15 0.01 0.18 1.40 -0.00 -1.26 -3.32 115.22 120.38 2jvm n HIS 77 Ca 0.17 -0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.38 2jvm n HIS 77 Cb 0.46 -0.07 0.42 0.00 -0.12 0.00 0.00 29.99 30.68 2jvm n HIS 77 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jvm h HIS 78 N 0.02 0.06 -3.04 1.57 6.17 -2.01 -3.41 115.15 114.51 2jvm h HIS 78 Ca 0.00 -0.01 -0.67 0.00 0.71 0.00 0.00 60.37 60.41 2jvm h HIS 78 Cb 0.34 -0.02 -0.12 0.00 2.52 0.00 0.00 27.41 30.14 2jvm h HIS 78 CO 0.00 0.31 -0.56 -1.58 0.71 0.00 0.00 177.93 176.81 2jvm s HIS 79 N -4.47 3.35 -2.00 5.26 5.04 -1.21 -5.33 115.29 115.93 2jvm s HIS 79 Ca -0.04 0.31 0.03 0.00 -1.54 0.00 0.00 55.06 53.82 2jvm s HIS 79 Cb 0.15 -1.90 0.17 0.00 0.04 0.00 0.00 32.58 31.05 2jvm s HIS 79 CO 0.72 0.53 0.66 0.72 -2.34 0.00 0.00 174.74 175.02