#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 1.89 -0.38 2.12 0.52 -1.26 -5.11 118.95 116.73 2jvm s ARG 2 Ca 0.00 -1.64 -0.02 0.00 -0.52 0.00 0.00 55.73 53.55 2jvm s ARG 2 Cb 0.00 -1.91 0.10 0.00 0.52 0.00 0.00 34.95 33.66 2jvm s ARG 2 CO 0.00 0.34 0.15 0.50 0.02 0.00 0.00 175.30 176.31 2jvm s ARG 3 N -3.56 2.01 0.15 3.54 6.06 -1.26 -5.09 118.95 120.81 2jvm s ARG 3 Ca 0.30 -1.73 -0.30 0.00 -2.50 0.00 0.00 55.73 51.50 2jvm s ARG 3 Cb -0.06 -3.47 -0.07 0.00 0.06 0.00 0.00 34.95 31.41 2jvm s ARG 3 CO 0.17 -0.98 1.11 -0.65 -2.50 0.00 0.00 175.30 172.44 2jvm s GLN 4 N 1.13 4.57 0.20 5.12 -0.21 -1.26 -4.98 119.66 124.22 2jvm s GLN 4 Ca 0.06 1.70 -0.32 0.00 0.02 0.00 0.00 55.36 56.83 2jvm s GLN 4 Cb -0.22 -3.30 -0.12 0.00 1.00 0.00 0.00 33.01 30.37 2jvm s GLN 4 CO -0.04 0.02 1.72 -2.14 -2.12 0.00 0.00 175.29 172.73 2jvm s PRO 5 N -0.04 4.13 -0.99 2.91 0.02 -1.26 -4.91 135.00 134.87 2jvm s PRO 5 Ca 0.51 2.59 -0.23 0.00 0.02 0.00 0.00 61.00 63.88 2jvm s PRO 5 Cb -0.29 -3.13 0.05 0.00 0.02 0.00 0.00 34.50 31.15 2jvm s PRO 5 CO 0.33 -0.75 1.44 0.21 -0.33 0.00 0.00 177.00 177.91 2jvm s LYS 6 N 1.31 3.53 0.31 5.54 2.47 -1.26 -4.98 119.74 126.66 2jvm s LYS 6 Ca 0.75 -1.01 -0.29 0.00 -1.56 0.00 0.00 55.97 53.86 2jvm s LYS 6 Cb -0.49 -5.23 -0.10 0.00 -1.46 0.00 0.00 37.83 30.55 2jvm s LYS 6 CO 0.32 -2.22 1.24 0.95 0.16 0.00 0.00 175.35 175.80 2jvm s THR 7 N 5.15 2.98 -0.28 3.43 -4.23 -1.26 -5.03 115.64 116.40 2jvm s THR 7 Ca 0.45 0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 61.91 2jvm s THR 7 Cb -0.01 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.31 2jvm s THR 7 CO -0.07 0.23 0.14 0.00 -0.54 0.00 0.00 174.62 174.39 2jvm s ARG 8 N -1.64 0.19 0.00 3.99 1.04 -1.26 -5.12 118.95 116.14 2jvm s ARG 8 Ca 0.48 -0.44 0.00 0.00 -1.04 0.00 0.00 55.73 54.73 2jvm s ARG 8 Cb -0.37 -1.17 0.00 0.00 -2.04 0.00 0.00 34.95 31.37 2jvm s ARG 8 CO 0.49 -0.98 0.00 1.04 -0.04 0.00 0.00 175.30 175.81 2jvm n GLN 9 N 5.26 1.16 -1.90 3.89 1.13 -1.26 -4.95 117.38 120.71 2jvm n GLN 9 Ca -0.06 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.92 2jvm n GLN 9 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.77 2jvm n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jvm n GLU 10 N 0.00 -0.67 -4.03 -1.09 4.07 -1.26 -5.00 120.64 112.66 2jvm n GLU 10 Ca 0.00 0.54 -0.32 0.00 -0.06 0.00 0.00 57.16 57.32 2jvm n GLU 10 Cb 0.00 -4.49 -0.15 0.00 -0.06 0.00 0.00 31.44 26.74 2jvm n GLU 10 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2jvm s SER 11 N -2.69 4.63 -0.20 4.31 0.15 -1.26 -5.07 113.70 113.56 2jvm s SER 11 Ca 0.00 -1.71 -0.21 0.00 0.70 0.00 0.00 55.95 54.73 2jvm s SER 11 Cb 0.00 -1.60 0.06 0.00 -1.71 0.00 0.00 66.02 62.77 2jvm s SER 11 CO 0.00 -0.28 0.58 0.00 1.20 0.00 0.00 173.24 174.74 2jvm s ALA 12 N 1.03 -1.43 -0.33 5.45 0.00 -1.26 -5.13 121.76 120.08 2jvm s ALA 12 Ca -0.00 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 2jvm s ALA 12 Cb -0.20 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2jvm s ALA 12 CO -0.06 -0.28 0.10 1.03 0.00 0.00 0.00 175.76 176.55 2jvm s ARG 13 N 0.17 2.65 -0.10 0.00 3.00 -1.26 -5.09 118.95 118.33 2jvm s ARG 13 Ca -0.01 -1.15 -0.23 0.00 0.00 0.00 0.00 55.73 54.33 2jvm s ARG 13 Cb -0.04 -3.43 -0.03 0.00 0.00 0.00 0.00 34.95 31.45 2jvm s ARG 13 CO 0.01 -0.64 0.72 -1.64 0.00 0.00 0.00 175.30 173.75 2jvm s MET 14 N 1.40 4.39 -0.24 3.54 -1.94 -1.26 -4.69 119.30 120.50 2jvm s MET 14 Ca -0.01 0.88 -0.04 0.00 -1.71 0.00 0.00 55.69 54.80 2jvm s MET 14 Cb -0.19 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.18 2jvm s MET 14 CO 0.03 -0.04 0.08 0.43 -0.01 0.00 0.00 175.02 175.51 2jvm n SER 15 N 4.17 -5.00 -4.42 3.03 7.64 -1.26 -5.08 113.62 112.70 2jvm n SER 15 Ca -0.00 1.28 -0.21 0.00 1.01 0.00 0.00 58.87 60.95 2jvm n SER 15 Cb 0.51 -4.92 -0.10 0.00 -1.01 0.00 0.00 64.21 58.68 2jvm n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jvm s ILE 16 N -1.17 1.66 -0.42 0.44 1.01 -1.26 -5.12 121.20 116.34 2jvm s ILE 16 Ca -0.09 -2.14 -0.17 0.00 0.00 0.00 0.00 60.65 58.25 2jvm s ILE 16 Cb 0.01 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2jvm s ILE 16 CO 0.72 -0.32 0.44 -1.61 0.00 0.00 0.00 174.94 174.17 2jvm s GLU 17 N -3.72 3.11 -0.29 2.79 8.01 -1.26 -5.04 118.70 122.30 2jvm s GLU 17 Ca 0.29 -0.74 -0.18 0.00 0.01 0.00 0.00 54.97 54.35 2jvm s GLU 17 Cb 0.03 -3.97 -0.02 0.00 -4.31 0.00 0.00 34.13 25.87 2jvm s GLU 17 CO 0.12 -0.86 0.52 0.00 0.01 0.00 0.00 175.26 175.04 2jvm s ALA 18 N 2.16 3.55 -0.03 5.21 0.00 -1.26 -5.03 121.76 126.36 2jvm s ALA 18 Ca 0.12 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2jvm s ALA 18 Cb -0.17 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2jvm s ALA 18 CO 0.14 -0.89 1.63 -2.14 0.00 0.00 0.00 175.76 174.49 2jvm s PRO 19 N 2.35 4.19 0.43 0.00 0.02 -1.26 -5.00 135.00 135.74 2jvm s PRO 19 Ca 0.20 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 2jvm s PRO 19 Cb -0.15 -3.87 -0.10 0.00 0.02 0.00 0.00 34.50 30.39 2jvm s PRO 19 CO 0.11 -0.80 0.99 -1.83 -0.33 0.00 0.00 177.00 175.14 2jvm s GLU 20 N 3.62 4.14 -0.07 5.54 1.03 -1.26 -5.05 118.70 126.64 2jvm s GLU 20 Ca 0.72 1.26 -0.09 0.00 0.03 0.00 0.00 54.97 56.90 2jvm s GLU 20 Cb -0.34 -2.27 -0.05 0.00 -0.80 0.00 0.00 34.13 30.67 2jvm s GLU 20 CO 0.30 -0.13 0.23 -0.08 -1.33 0.00 0.00 175.26 174.24 2jvm s THR 21 N -1.99 5.36 -0.08 1.83 -1.32 -1.26 -4.89 115.64 113.29 2jvm s THR 21 Ca 0.62 0.37 0.01 0.00 -1.21 0.00 0.00 61.69 61.47 2jvm s THR 21 Cb -0.14 -3.50 0.02 0.00 -1.51 0.00 0.00 72.50 67.37 2jvm s THR 21 CO 0.18 0.58 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.40 2jvm s VAL 22 N -1.07 0.93 -0.09 5.08 1.01 -1.26 -5.07 120.40 119.93 2jvm s VAL 22 Ca 0.19 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2jvm s VAL 22 Cb -0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2jvm s VAL 22 CO 0.08 0.33 0.47 -0.69 0.00 0.00 0.00 175.10 175.29 2jvm s VAL 23 N 1.22 5.15 0.06 2.92 1.01 -1.26 -1.37 120.40 128.13 2jvm s VAL 23 Ca -0.05 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.95 2jvm s VAL 23 Cb -0.14 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2jvm s VAL 23 CO -0.02 0.38 -0.21 0.68 0.00 0.00 0.00 175.10 175.92 2jvm s VAL 24 N 0.29 2.60 -2.09 2.92 -7.23 0.20 -4.93 120.40 112.17 2jvm s VAL 24 Ca 0.25 -1.33 0.17 0.00 -1.81 0.00 0.00 61.98 59.27 2jvm s VAL 24 Cb -0.15 -2.10 0.12 0.00 0.56 0.00 0.00 36.38 34.81 2jvm s VAL 24 CO 0.11 0.29 1.03 -0.24 -0.31 0.00 0.00 175.10 175.98 2jvm n SER 25 N 1.45 2.35 -4.52 4.85 2.88 -1.26 -0.26 113.62 119.11 2jvm n SER 25 Ca -0.16 -1.68 -0.34 0.00 -1.33 0.00 0.00 58.87 55.36 2jvm n SER 25 Cb 0.52 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.51 3.93 0.36 2.46 -4.23 -1.26 -4.94 115.64 110.45 2jvm s THR 26 Ca 0.19 -0.35 0.31 0.00 -1.18 0.00 0.00 61.69 60.66 2jvm s THR 26 Cb 0.14 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.60 2jvm s THR 26 CO 0.24 0.51 2.07 -0.50 -0.54 0.00 0.00 174.62 176.40 2jvm h TRP 27 N 6.49 0.00 -3.45 3.99 4.06 -1.94 -3.39 115.95 121.70 2jvm h TRP 27 Ca -0.34 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 59.97 2jvm h TRP 27 Cb 1.19 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.12 2jvm h TRP 27 CO 0.54 0.09 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.27 2jvm s LYS 28 N -4.01 3.64 -0.17 0.49 -2.85 -1.26 0.09 119.74 115.66 2jvm s LYS 28 Ca -0.02 -0.51 -0.03 0.00 -1.00 0.00 0.00 55.97 54.41 2jvm s LYS 28 Cb 0.12 -3.11 -0.02 0.00 -2.06 0.00 0.00 37.83 32.76 2jvm s LYS 28 CO 0.56 0.00 -0.06 0.14 0.10 0.00 0.00 175.35 176.09 2jvm s VAL 29 N 1.03 3.55 -0.59 1.79 -7.23 0.87 -4.93 120.40 114.89 2jvm s VAL 29 Ca 0.02 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 2jvm s VAL 29 Cb -0.14 -2.56 0.10 0.00 0.56 0.00 0.00 36.38 34.34 2jvm s VAL 29 CO 0.02 0.48 0.71 0.00 -0.31 0.00 0.00 175.10 176.00 2jvm s ALA 30 N 0.69 3.41 -0.12 1.32 0.00 -1.26 -0.67 121.76 125.12 2jvm s ALA 30 Ca -0.03 -2.22 -0.23 0.00 0.00 0.00 0.00 51.96 49.47 2jvm s ALA 30 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2jvm s ALA 30 CO 0.02 -2.36 0.71 0.00 0.00 0.00 0.00 175.76 174.13 2jvm n ASP 32 N 4.41 1.44 0.00 0.00 2.03 -1.26 -0.79 116.55 122.38 2jvm n ASP 32 Ca 0.00 -1.48 0.00 0.00 0.52 0.00 0.00 54.79 53.83 2jvm n ASP 32 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.24 2.21 0.00 0.27 0.00 -1.26 -1.28 105.19 104.89 2jvm n GLY 33 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.53 3.86 -0.02 0.00 -1.11 -4.69 105.19 102.70 2jvm n GLY 34 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.30 0.08 1.61 2.02 -1.25 -4.79 118.70 116.66 2jvm s GLU 35 Ca 0.00 -0.30 -0.33 0.00 0.02 0.00 0.00 54.97 54.35 2jvm s GLU 35 Cb 0.00 -1.80 -0.12 0.00 0.10 0.00 0.00 34.13 32.31 2jvm s GLU 35 CO 0.00 -2.66 1.74 0.41 0.02 0.00 0.00 175.26 174.77 2jvm n GLY 36 N -3.12 1.38 2.63 -1.39 0.00 -1.26 -0.64 105.19 102.80 2jvm n GLY 36 Ca 0.14 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 4.98 0.00 -1.76 4.61 0.00 -1.26 -4.81 120.51 122.27 2jvm n ALA 37 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 2jvm n ALA 37 Cb 0.31 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 18.99 2jvm n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jvm n LEU 38 N 0.00 3.91 0.00 0.00 0.00 0.19 -5.02 117.00 116.08 2jvm n LEU 38 Ca 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 56.01 51.75 2jvm n LEU 38 Cb 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.24 2jvm n LEU 38 CO 0.00 1.69 0.00 0.61 0.00 0.00 0.00 177.39 179.69 2jvm n GLY 39 N -0.94 3.41 3.48 -3.96 0.00 -1.23 -2.74 105.19 103.20 2jvm n GLY 39 Ca 0.32 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.56 0.62 0.19 1.61 -3.43 -0.40 -4.87 115.29 108.43 2jvm s HIS 40 Ca 0.00 -0.93 -0.33 0.00 -0.80 0.00 0.00 55.06 53.00 2jvm s HIS 40 Cb 0.00 -0.03 -0.15 0.00 -1.43 0.00 0.00 32.58 30.97 2jvm s HIS 40 CO 0.00 -0.90 1.27 -2.30 -2.00 0.00 0.00 174.74 170.80 2jvm n PRO 41 N -0.36 1.47 -1.97 -0.38 -0.02 -1.26 -4.38 135.00 128.10 2jvm n PRO 41 Ca -0.00 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 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 -0.27 4.23 0.14 -0.52 3.52 -1.26 -4.79 118.95 119.99 2jvm s ARG 42 Ca 0.73 2.31 0.11 0.00 -0.13 0.00 0.00 55.73 58.75 2jvm s ARG 42 Cb -0.79 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2jvm s ARG 42 CO 0.50 -0.59 -0.27 0.08 -0.81 0.00 0.00 175.30 174.22 2jvm s VAL 43 N 1.29 2.27 -0.36 7.11 1.01 0.03 -4.95 120.40 126.80 2jvm s VAL 43 Ca 0.69 -1.78 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2jvm s VAL 43 Cb -0.42 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.00 2jvm s VAL 43 CO 0.31 0.07 0.13 0.26 0.00 0.00 0.00 175.10 175.88 2jvm s TRP 44 N -1.11 3.29 0.42 5.22 0.52 -1.26 -0.55 118.94 125.47 2jvm s TRP 44 Ca 0.15 -1.52 0.08 0.00 0.02 0.00 0.00 56.10 54.82 2jvm s TRP 44 Cb -0.10 -2.45 -0.02 0.00 -1.15 0.00 0.00 33.47 29.75 2jvm s TRP 44 CO 0.06 -0.77 0.39 -0.51 0.02 0.00 0.00 176.95 176.14 2jvm s LEU 45 N 1.38 3.38 -0.00 2.99 1.43 0.15 -4.93 118.68 123.09 2jvm s LEU 45 Ca -0.00 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2jvm s LEU 45 Cb -0.20 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2jvm s LEU 45 CO 0.02 -0.67 -0.10 -0.55 0.23 0.00 0.00 176.35 175.28 2jvm s SER 46 N -4.14 1.11 -0.06 2.29 0.15 -1.26 -0.09 113.70 111.70 2jvm s SER 46 Ca 0.48 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.65 2jvm s SER 46 Cb -0.03 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2jvm s SER 46 CO 0.28 0.09 0.89 -0.63 1.20 0.00 0.00 173.24 175.07 2jvm s ILE 47 N -0.32 4.91 0.44 6.45 1.01 0.11 -4.96 121.20 128.84 2jvm s ILE 47 Ca 0.03 1.83 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 2jvm s ILE 47 Cb -0.04 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 2jvm s ILE 47 CO -0.00 0.14 1.38 -2.84 0.00 0.00 0.00 174.94 173.61 2jvm s PRO 48 N 1.30 3.76 0.00 2.79 0.02 -1.26 -4.93 135.00 136.68 2jvm s PRO 48 Ca 0.45 2.31 0.28 0.00 0.02 0.00 0.00 61.00 64.06 2jvm s PRO 48 Cb -0.19 -2.67 0.99 0.00 0.02 0.00 0.00 34.50 32.65 2jvm s PRO 48 CO 0.21 -0.72 1.71 0.72 -0.33 0.00 0.00 177.00 178.59 2jvm n HIS 49 N -0.13 0.00 -0.05 6.54 8.25 -1.26 -2.27 115.22 126.30 2jvm n HIS 49 Ca 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.46 2jvm n HIS 49 Cb 0.43 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 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 0.12 1.86 -0.09 -0.41 0.00 -1.26 -4.69 120.64 116.17 2jvm n GLU 50 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 57.16 57.17 2jvm n GLU 50 Cb 0.36 -1.31 -0.09 0.00 0.00 0.00 0.00 31.44 30.40 2jvm n GLU 50 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2jvm h THR 51 N 0.00 0.93 0.00 3.84 1.35 -1.97 -3.49 112.91 113.57 2jvm h THR 51 Ca -0.29 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2jvm h THR 51 Cb 1.61 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2jvm h THR 51 CO 0.02 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2jvm n GLY 52 N 1.54 0.78 3.17 5.82 0.00 -0.96 -4.96 105.19 110.58 2jvm n GLY 52 Ca -0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 0.05 -0.06 1.61 -0.71 -1.26 -0.98 117.98 114.64 2jvm s PHE 53 Ca 0.00 -0.26 0.02 0.00 -1.04 0.00 0.00 56.93 55.65 2jvm s PHE 53 Cb 0.00 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2jvm s PHE 53 CO 0.00 -0.41 -0.11 0.54 -1.34 0.00 0.00 175.22 173.90 2jvm s VAL 54 N -2.44 1.03 -0.66 -2.49 0.11 -0.53 -4.44 120.40 110.98 2jvm s VAL 54 Ca -0.06 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 2jvm s VAL 54 Cb -0.02 -0.95 0.17 0.00 -1.53 0.00 0.00 36.38 34.05 2jvm s VAL 54 CO -0.03 0.33 0.54 -1.61 -3.33 0.00 0.00 175.10 170.99 2jvm s GLU 55 N 0.64 2.92 -0.40 1.54 2.02 -1.26 -0.90 118.70 123.27 2jvm s GLU 55 Ca -0.13 -2.32 -0.28 0.00 0.02 0.00 0.00 54.97 52.26 2jvm s GLU 55 Cb -0.15 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.02 2jvm s GLU 55 CO 0.03 -1.22 1.90 0.00 0.02 0.00 0.00 175.26 175.99 2jvm n GLY 57 N 5.56 -1.15 0.26 0.00 0.00 -1.26 -0.85 105.19 107.74 2jvm n GLY 57 Ca 0.24 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2jvm n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jvm h TYR 58 N 0.10 1.05 0.00 1.61 5.03 -1.96 -3.35 116.97 119.45 2jvm h TYR 58 Ca 0.00 -0.30 0.00 0.00 2.58 0.00 0.00 58.73 61.01 2jvm h TYR 58 Cb 0.23 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2jvm h TYR 58 CO 0.00 1.10 0.00 0.00 -1.32 0.00 0.00 178.16 177.94 2jvm n ASP 60 N -0.73 -3.82 -4.00 0.00 2.03 -0.17 -5.07 116.55 104.80 2jvm n ASP 60 Ca 0.00 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 54.99 2jvm n ASP 60 Cb 0.00 -2.35 -0.17 0.00 -0.72 0.00 0.00 41.12 37.89 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 -3.00 2.13 -0.43 -0.67 1.81 -0.03 -4.97 118.95 113.80 2jvm s ARG 61 Ca 0.00 -0.49 -0.10 0.00 -1.72 0.00 0.00 55.73 53.41 2jvm s ARG 61 Cb -0.00 -1.99 0.08 0.00 -0.45 0.00 0.00 34.95 32.58 2jvm s ARG 61 CO 0.24 -0.24 0.28 0.50 -0.68 0.00 0.00 175.30 175.40 2jvm s ARG 62 N 1.52 2.68 -0.16 3.54 3.52 -1.26 0.28 118.95 129.07 2jvm s ARG 62 Ca 0.05 -1.43 -0.08 0.00 -0.13 0.00 0.00 55.73 54.14 2jvm s ARG 62 Cb -0.13 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 2jvm s ARG 62 CO -0.10 -0.96 0.11 0.71 -0.81 0.00 0.00 175.30 174.25 2jvm s TYR 63 N 1.47 3.43 -0.22 5.12 2.02 -0.07 -4.25 117.35 124.84 2jvm s TYR 63 Ca 0.03 0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.98 2jvm s TYR 63 Cb -0.23 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 2jvm s TYR 63 CO 0.03 0.43 0.13 0.42 -1.57 0.00 0.00 175.55 174.99 2jvm s ILE 64 N -0.20 5.15 0.45 2.71 -1.09 -0.47 -1.46 121.20 126.29 2jvm s ILE 64 Ca 0.10 0.10 -0.23 0.00 -2.23 0.00 0.00 60.65 58.39 2jvm s ILE 64 Cb -0.12 -3.38 -0.08 0.00 -1.58 0.00 0.00 42.46 37.31 2jvm s ILE 64 CO 0.01 0.38 1.13 -2.28 -1.23 0.00 0.00 174.94 172.95 2jvm s HIS 65 N 0.85 2.98 0.34 3.97 5.65 -0.15 -0.62 115.29 128.31 2jvm s HIS 65 Ca 0.06 1.57 0.09 0.00 0.25 0.00 0.00 55.06 57.03 2jvm s HIS 65 Cb -0.13 -3.29 0.82 0.00 -1.18 0.00 0.00 32.58 28.80 2jvm s HIS 65 CO 0.03 -1.24 1.83 1.05 -0.65 0.00 0.00 174.74 175.76 2jvm h GLU 66 N 2.10 0.67 -0.06 2.88 4.11 -0.95 0.07 114.58 123.41 2jvm h GLU 66 Ca -0.49 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 58.78 2jvm h GLU 66 Cb 1.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2jvm h GLU 66 CO 0.61 0.44 -0.49 1.03 0.07 0.00 0.00 179.01 180.67 2jvm h SER 67 N 0.69 0.18 1.57 3.06 0.87 -1.91 -1.01 113.55 116.99 2jvm h SER 67 Ca 0.51 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2jvm h SER 67 Cb 0.88 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2jvm h SER 67 CO -0.27 0.64 -0.21 0.15 -0.53 0.00 0.00 176.83 176.61 2jvm h PHE 68 N 0.13 0.00 0.13 2.24 3.57 -1.32 -3.21 116.94 118.48 2jvm h PHE 68 Ca 0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 2jvm h PHE 68 Cb 0.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2jvm h PHE 68 CO 0.01 0.00 -1.40 0.00 -2.23 0.00 0.00 178.31 174.69 2jvm h ALA 69 N 2.22 0.18 -1.05 2.41 0.00 -0.47 -3.48 119.26 119.07 2jvm h ALA 69 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 54.91 53.58 2jvm h ALA 69 Cb 0.89 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2jvm h ALA 69 CO 0.00 1.05 -0.32 0.00 0.00 0.00 0.00 179.25 179.98 2jvm n ALA 70 N -2.61 -0.29 -2.36 0.00 0.00 -0.44 -4.99 120.51 109.83 2jvm n ALA 70 Ca -0.13 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2jvm n ALA 70 Cb 1.04 -1.72 0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 0.72 0.03 -2.08 0.00 0.00 -1.26 -5.01 120.51 112.91 2jvm n ALA 71 Ca -0.17 -1.02 -0.42 0.00 0.00 0.00 0.00 53.44 51.83 2jvm n ALA 71 Cb 0.55 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 2jvm n ALA 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jvm s LYS 72 N -3.87 4.17 -0.19 0.00 -2.85 -1.26 -4.99 119.74 110.75 2jvm s LYS 72 Ca 0.35 2.08 -0.10 0.00 -1.00 0.00 0.00 55.97 57.30 2jvm s LYS 72 Cb -0.02 -3.95 -0.05 0.00 -2.06 0.00 0.00 37.83 31.75 2jvm s LYS 72 CO 0.23 -0.84 0.14 -0.51 0.10 0.00 0.00 175.35 174.47 2jvm s LEU 73 N 4.00 4.23 -0.21 2.77 1.43 -1.26 -5.01 118.68 124.63 2jvm s LEU 73 Ca 0.70 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.86 2jvm s LEU 73 Cb -0.31 -2.10 -0.19 0.00 0.03 0.00 0.00 46.19 43.62 2jvm s LEU 73 CO 0.27 0.20 0.17 -1.84 0.23 0.00 0.00 176.35 175.38 2jvm n GLU 74 N 3.38 0.57 -3.79 1.70 -0.00 -1.26 -5.00 120.64 116.24 2jvm n GLU 74 Ca -0.16 0.54 -0.28 0.00 -0.00 0.00 0.00 57.16 57.26 2jvm n GLU 74 Cb 0.52 -1.73 0.02 0.00 -0.00 0.00 0.00 31.44 30.25 2jvm n GLU 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jvm n HIS 75 N -4.38 -1.80 -2.26 -1.84 8.25 -1.26 -4.89 115.22 107.04 2jvm n HIS 75 Ca -0.34 0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 57.38 2jvm n HIS 75 Cb 0.71 -3.68 -0.00 0.00 1.12 0.00 0.00 29.99 28.14 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 -3.69 2.76 0.00 4.41 5.04 -1.26 -4.83 115.29 117.72 2jvm s HIS 76 Ca 0.23 1.54 0.00 0.00 -1.54 0.00 0.00 55.06 55.29 2jvm s HIS 76 Cb -0.08 -3.33 0.00 0.00 0.04 0.00 0.00 32.58 29.21 2jvm s HIS 76 CO 0.87 -1.54 0.00 1.58 -2.34 0.00 0.00 174.74 173.31 2jvm n HIS 77 N -0.96 -1.02 -4.23 3.88 -0.00 -1.26 -5.00 115.22 106.62 2jvm n HIS 77 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.69 2jvm n HIS 77 Cb 0.50 0.04 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 2jvm n HIS 77 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jvm s HIS 78 N 0.00 1.18 0.35 1.57 -3.43 -1.26 -5.15 115.29 108.54 2jvm s HIS 78 Ca 0.00 -0.95 -0.10 0.00 -0.80 0.00 0.00 55.06 53.21 2jvm s HIS 78 Cb 0.00 -0.66 -0.07 0.00 -1.43 0.00 0.00 32.58 30.42 2jvm s HIS 78 CO 0.00 -0.14 0.70 -1.58 -2.00 0.00 0.00 174.74 171.72 2jvm s HIS 79 N -3.58 3.45 -2.31 0.38 2.46 -1.26 -5.29 115.29 109.14 2jvm s HIS 79 Ca 0.20 0.98 0.30 0.00 0.47 0.00 0.00 55.06 57.01 2jvm s HIS 79 Cb 0.05 -2.38 1.38 0.00 -0.13 0.00 0.00 32.58 31.51 2jvm s HIS 79 CO 0.02 0.03 1.93 0.72 -2.47 0.00 0.00 174.74 174.97