#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 3.63 -0.33 0.03 3.52 -1.26 -4.97 118.95 119.57 2jvm s ARG 2 Ca 0.00 0.79 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 2jvm s ARG 2 Cb 0.00 -3.98 0.10 0.00 -1.56 0.00 0.00 34.95 29.51 2jvm s ARG 2 CO 0.00 -1.50 0.09 0.50 -0.81 0.00 0.00 175.30 173.57 2jvm s ARG 3 N 4.77 1.08 -0.33 5.12 6.06 -1.26 -5.00 118.95 129.38 2jvm s ARG 3 Ca 0.56 -1.48 -0.07 0.00 -2.50 0.00 0.00 55.73 52.24 2jvm s ARG 3 Cb -0.11 -2.54 0.19 0.00 0.06 0.00 0.00 34.95 32.55 2jvm s ARG 3 CO 0.32 -0.98 1.01 -1.14 -2.50 0.00 0.00 175.30 172.01 2jvm s GLN 4 N 1.23 0.25 -0.17 5.12 0.74 -1.26 -5.15 119.66 120.41 2jvm s GLN 4 Ca 0.11 -0.09 -0.23 0.00 0.05 0.00 0.00 55.36 55.20 2jvm s GLN 4 Cb -0.18 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 33.93 2jvm s GLN 4 CO -0.16 -0.36 0.73 -1.25 -0.55 0.00 0.00 175.29 173.70 2jvm s PRO 5 N 1.90 4.27 0.00 1.67 0.04 -1.26 -4.93 135.00 136.69 2jvm s PRO 5 Ca 0.15 0.82 0.25 0.00 0.04 0.00 0.00 61.00 62.26 2jvm s PRO 5 Cb 0.03 -3.57 0.49 0.00 0.04 0.00 0.00 34.50 31.50 2jvm s PRO 5 CO -0.14 -0.26 1.40 0.36 0.04 0.00 0.00 177.00 178.41 2jvm n LYS 6 N 5.03 0.09 -4.17 4.56 2.85 -1.26 -4.78 118.16 120.48 2jvm n LYS 6 Ca 0.01 -0.05 -0.21 0.00 -1.05 0.00 0.00 58.31 57.01 2jvm n LYS 6 Cb 0.49 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.21 2jvm n LYS 6 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jvm s THR 7 N -2.95 0.59 -0.20 0.58 2.01 -1.26 -5.13 115.64 109.27 2jvm s THR 7 Ca 0.12 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 2jvm s THR 7 Cb 0.18 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 2jvm s THR 7 CO 0.69 0.24 0.11 -0.13 -0.69 0.00 0.00 174.62 174.84 2jvm s ARG 8 N 0.97 4.09 0.32 4.92 0.52 -1.26 -5.08 118.95 123.43 2jvm s ARG 8 Ca -0.10 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 2jvm s ARG 8 Cb -0.14 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2jvm s ARG 8 CO -0.00 0.24 0.18 -0.65 0.02 0.00 0.00 175.30 175.09 2jvm s GLN 9 N 0.52 1.66 -1.42 3.54 -0.21 -1.26 -4.87 119.66 117.62 2jvm s GLN 9 Ca 0.06 -1.96 -0.05 0.00 0.02 0.00 0.00 55.36 53.44 2jvm s GLN 9 Cb -0.12 -0.07 0.01 0.00 1.00 0.00 0.00 33.01 33.83 2jvm s GLN 9 CO -0.00 -0.50 0.60 0.39 -2.12 0.00 0.00 175.29 173.66 2jvm n GLU 10 N -0.63 -4.70 -2.98 2.91 1.02 -1.26 -4.98 120.64 110.02 2jvm n GLU 10 Ca 0.01 0.84 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 2jvm n GLU 10 Cb 0.64 -5.55 -0.06 0.00 -0.02 0.00 0.00 31.44 26.45 2jvm n GLU 10 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jvm s SER 11 N -2.77 7.38 0.00 1.62 0.01 -1.26 -3.67 113.70 115.01 2jvm s SER 11 Ca 0.30 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2jvm s SER 11 Cb -0.13 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jvm s SER 11 CO 0.37 0.20 0.00 0.00 0.41 0.00 0.00 173.24 174.21 2jvm n ALA 12 N 1.69 0.00 -3.23 1.44 0.00 -1.26 -4.70 120.51 114.45 2jvm n ALA 12 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.93 2jvm n ALA 12 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 2jvm n ALA 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jvm s ARG 13 N 0.00 3.28 0.20 0.00 0.52 -1.26 -4.89 118.95 116.79 2jvm s ARG 13 Ca 0.00 -1.89 0.09 0.00 -0.52 0.00 0.00 55.73 53.40 2jvm s ARG 13 Cb 0.00 -4.40 0.09 0.00 0.52 0.00 0.00 34.95 31.16 2jvm s ARG 13 CO 0.00 -1.41 1.46 0.52 0.02 0.00 0.00 175.30 175.89 2jvm h MET 14 N 8.56 0.01 -2.40 3.54 2.86 -1.84 -3.41 114.93 122.25 2jvm h MET 14 Ca -0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2jvm h MET 14 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2jvm h MET 14 CO 0.96 0.80 -0.57 0.43 1.06 0.00 0.00 176.91 179.60 2jvm n SER 15 N -3.60 -6.29 -4.61 1.22 7.64 -1.26 -4.96 113.62 101.76 2jvm n SER 15 Ca -0.01 0.79 -0.27 0.00 1.01 0.00 0.00 58.87 60.40 2jvm n SER 15 Cb 0.77 -2.58 -0.09 0.00 -1.01 0.00 0.00 64.21 61.30 2jvm n SER 15 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2jvm s ILE 16 N -1.85 3.43 -0.71 0.44 -5.25 -1.26 -5.03 121.20 110.97 2jvm s ILE 16 Ca 0.00 -1.54 -0.26 0.00 -0.99 0.00 0.00 60.65 57.86 2jvm s ILE 16 Cb 0.00 -2.70 0.04 0.00 2.95 0.00 0.00 42.46 42.74 2jvm s ILE 16 CO 0.00 -0.10 1.22 -1.61 -1.79 0.00 0.00 174.94 172.66 2jvm s GLU 17 N -2.85 3.20 0.06 0.37 2.02 -1.26 -4.96 118.70 115.29 2jvm s GLU 17 Ca 0.26 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 2jvm s GLU 17 Cb -0.09 -4.17 -0.05 0.00 0.10 0.00 0.00 34.13 29.92 2jvm s GLU 17 CO 0.17 -2.06 0.98 0.00 0.02 0.00 0.00 175.26 174.37 2jvm s ALA 18 N 5.41 3.22 0.86 5.21 0.00 -1.26 -5.06 121.76 130.14 2jvm s ALA 18 Ca 0.34 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2jvm s ALA 18 Cb -0.09 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 19.83 2jvm s ALA 18 CO 0.15 -0.13 1.18 -1.25 0.00 0.00 0.00 175.76 175.71 2jvm s PRO 19 N 0.46 1.54 0.24 0.00 0.04 -1.26 -4.93 135.00 131.09 2jvm s PRO 19 Ca 0.50 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2jvm s PRO 19 Cb -0.23 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jvm s PRO 19 CO 0.29 -1.89 0.00 -1.91 0.04 0.00 0.00 177.00 173.53 2jvm n GLU 20 N -3.52 -1.77 -1.13 4.56 0.00 -1.26 -5.06 120.64 112.45 2jvm n GLU 20 Ca 0.08 1.26 0.00 0.00 0.00 0.00 0.00 57.16 58.50 2jvm n GLU 20 Cb 0.60 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.90 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 -3.25 -3.73 -3.42 6.31 -1.04 -1.26 -4.86 114.28 103.03 2jvm n THR 21 Ca -0.01 1.60 -0.44 0.00 -2.04 0.00 0.00 64.05 63.16 2jvm n THR 21 Cb 0.39 -2.25 -0.08 0.00 -1.82 0.00 0.00 70.33 66.57 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 -3.38 5.05 -0.24 12.58 1.01 -1.26 -5.03 120.40 129.13 2jvm s VAL 22 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 2jvm s VAL 22 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2jvm s VAL 22 CO 0.00 -0.61 0.16 -0.69 0.00 0.00 0.00 175.10 173.96 2jvm s VAL 23 N 1.60 5.36 0.10 2.92 1.01 -1.26 -1.80 120.40 128.33 2jvm s VAL 23 Ca 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2jvm s VAL 23 Cb -0.25 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2jvm s VAL 23 CO 0.05 0.35 0.05 0.68 0.00 0.00 0.00 175.10 176.23 2jvm s VAL 24 N 1.05 0.14 -2.88 2.92 -7.23 -0.04 -4.90 120.40 109.46 2jvm s VAL 24 Ca 0.08 -1.81 0.24 0.00 -1.81 0.00 0.00 61.98 58.68 2jvm s VAL 24 Cb -0.13 -1.82 0.17 0.00 0.56 0.00 0.00 36.38 35.16 2jvm s VAL 24 CO 0.04 -0.65 1.25 -0.24 -0.31 0.00 0.00 175.10 175.19 2jvm n SER 25 N -0.03 2.86 -4.78 4.85 2.88 -1.26 -0.55 113.62 117.59 2jvm n SER 25 Ca -0.09 -1.93 -0.36 0.00 -1.33 0.00 0.00 58.87 55.15 2jvm n SER 25 Cb 0.63 0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 64.07 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 -2.06 5.38 0.09 2.46 2.01 -1.26 -4.94 115.64 117.32 2jvm s THR 26 Ca 0.27 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.55 2jvm s THR 26 Cb 0.20 -3.51 -0.25 0.00 0.01 0.00 0.00 72.50 68.95 2jvm s THR 26 CO 0.33 0.49 1.19 -0.50 -0.69 0.00 0.00 174.62 175.45 2jvm h TRP 27 N 5.99 0.62 -3.50 4.92 4.06 -1.92 -3.43 115.95 122.68 2jvm h TRP 27 Ca -0.46 -0.40 -0.61 0.00 2.06 0.00 0.00 58.89 59.48 2jvm h TRP 27 Cb 1.18 -0.05 -0.11 0.00 -1.00 0.00 0.00 29.16 29.19 2jvm h TRP 27 CO 0.65 1.27 0.39 -1.59 -3.56 0.00 0.00 178.44 175.60 2jvm s LYS 28 N -2.92 3.82 -0.06 0.49 -2.85 -1.26 -0.35 119.74 116.61 2jvm s LYS 28 Ca -0.05 0.41 0.05 0.00 -1.00 0.00 0.00 55.97 55.37 2jvm s LYS 28 Cb 0.07 -3.78 -0.01 0.00 -2.06 0.00 0.00 37.83 32.05 2jvm s LYS 28 CO 0.89 -0.80 -0.22 0.14 0.10 0.00 0.00 175.35 175.45 2jvm s VAL 29 N 3.07 2.29 -0.51 1.79 -7.23 0.22 -4.95 120.40 115.08 2jvm s VAL 29 Ca 0.32 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 59.30 2jvm s VAL 29 Cb -0.13 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2jvm s VAL 29 CO 0.16 0.57 0.72 0.00 -0.31 0.00 0.00 175.10 176.24 2jvm s ALA 30 N -0.19 3.31 0.28 1.32 0.00 -1.26 -0.52 121.76 124.71 2jvm s ALA 30 Ca -0.02 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.25 2jvm s ALA 30 Cb -0.14 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 2jvm s ALA 30 CO 0.03 -2.10 0.70 0.00 0.00 0.00 0.00 175.76 174.39 2jvm n ASP 32 N -0.06 -2.64 0.00 0.00 2.03 -1.26 -0.91 116.55 113.70 2jvm n ASP 32 Ca 0.02 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.48 2jvm n ASP 32 Cb 0.53 1.57 0.00 0.00 -0.72 0.00 0.00 41.12 42.49 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 1.90 -1.16 0.00 0.27 0.00 -1.24 -4.84 105.19 100.12 2jvm n GLY 33 Ca 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.01 1.09 3.81 -0.02 0.00 -0.76 -4.85 105.19 104.46 2jvm n GLY 34 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 1.01 3.39 7.11 1.61 2.02 -1.26 -4.60 118.70 127.98 2jvm s GLU 35 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2jvm s GLU 35 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.19 2jvm s GLU 35 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.94 2jvm n GLY 36 N -1.00 2.03 0.44 -1.39 0.00 -1.26 -2.77 105.19 101.24 2jvm n GLY 36 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 10.83 2.35 -1.72 4.61 0.00 -1.26 -4.89 120.51 130.43 2jvm n ALA 37 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 53.44 51.35 2jvm n ALA 37 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2jvm n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jvm n LEU 38 N -0.35 5.93 -4.92 0.00 4.77 -1.11 -4.91 117.00 116.41 2jvm n LEU 38 Ca 0.12 -3.82 -0.30 0.00 -0.03 0.00 0.00 56.01 51.97 2jvm n LEU 38 Cb 0.54 -1.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2jvm n LEU 38 CO 0.07 0.59 -0.15 -0.83 -1.33 0.00 0.00 177.39 175.74 2jvm s GLY 39 N 3.81 2.10 0.17 -0.72 0.00 -1.26 -1.83 107.32 109.59 2jvm s GLY 39 Ca 0.51 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 2jvm s GLY 39 CO -0.02 -0.87 0.57 -2.38 0.00 0.00 0.00 173.10 170.40 2jvm s HIS 40 N -1.55 -0.37 0.91 1.90 -3.43 -1.26 -4.90 115.29 106.58 2jvm s HIS 40 Ca 0.35 0.10 -0.11 0.00 -0.80 0.00 0.00 55.06 54.59 2jvm s HIS 40 Cb -0.13 0.50 0.11 0.00 -1.43 0.00 0.00 32.58 31.63 2jvm s HIS 40 CO 0.28 -0.88 0.96 -0.35 -2.00 0.00 0.00 174.74 172.74 2jvm n PRO 41 N -0.36 -0.31 -1.98 -0.38 -0.04 -1.26 -3.65 135.00 127.02 2jvm n PRO 41 Ca -0.14 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2jvm n PRO 41 Cb 0.64 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2jvm n PRO 41 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jvm s ARG 42 N -4.27 4.23 0.17 0.54 3.00 -1.26 -4.64 118.95 116.72 2jvm s ARG 42 Ca 0.65 2.29 0.07 0.00 -1.00 0.00 0.00 55.73 57.75 2jvm s ARG 42 Cb -0.24 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.40 2jvm s ARG 42 CO 0.59 -0.60 -0.16 0.08 0.00 0.00 0.00 175.30 175.22 2jvm s VAL 43 N 1.46 1.65 -0.35 7.11 1.01 -0.09 -4.95 120.40 126.24 2jvm s VAL 43 Ca 0.70 -1.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 2jvm s VAL 43 Cb -0.41 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2jvm s VAL 43 CO 0.31 -0.44 0.18 0.26 0.00 0.00 0.00 175.10 175.41 2jvm s TRP 44 N -2.41 3.22 0.15 5.22 0.52 -1.26 -0.69 118.94 123.69 2jvm s TRP 44 Ca 0.16 -0.85 0.06 0.00 0.02 0.00 0.00 56.10 55.49 2jvm s TRP 44 Cb -0.04 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.84 2jvm s TRP 44 CO 0.06 -0.58 0.06 -0.51 0.02 0.00 0.00 176.95 175.99 2jvm s LEU 45 N 1.57 3.56 -0.28 2.99 1.43 0.33 -4.95 118.68 123.32 2jvm s LEU 45 Ca 0.03 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2jvm s LEU 45 Cb -0.18 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 43.90 2jvm s LEU 45 CO 0.06 0.10 -0.06 -0.55 0.23 0.00 0.00 176.35 176.14 2jvm s SER 46 N -2.88 4.49 -0.04 2.29 0.15 -1.26 -0.61 113.70 115.84 2jvm s SER 46 Ca 0.29 -1.60 -0.35 0.00 0.70 0.00 0.00 55.95 54.98 2jvm s SER 46 Cb -0.10 -1.53 -0.13 0.00 -1.71 0.00 0.00 66.02 62.55 2jvm s SER 46 CO 0.21 -0.25 1.76 -0.38 1.20 0.00 0.00 173.24 175.78 2jvm n ILE 47 N 4.40 0.37 -1.68 6.45 5.41 0.53 -4.81 119.36 130.03 2jvm n ILE 47 Ca -0.09 -0.07 -0.61 0.00 1.00 0.00 0.00 62.75 62.99 2jvm n ILE 47 Cb 0.42 -1.66 -0.09 0.00 -0.71 0.00 0.00 39.64 37.60 2jvm n ILE 47 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2jvm n PRO 48 N 5.47 0.63 0.00 0.38 -0.02 -1.26 -4.82 135.00 135.38 2jvm n PRO 48 Ca 0.21 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2jvm n PRO 48 Cb 0.27 -1.86 0.68 0.00 -0.02 0.00 0.00 33.50 32.57 2jvm n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jvm n HIS 49 N 5.31 0.00 -0.05 6.00 8.25 -1.26 -1.48 115.22 131.99 2jvm n HIS 49 Ca 0.31 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2jvm n HIS 49 Cb 0.05 -0.33 -0.15 0.00 1.12 0.00 0.00 29.99 30.68 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 -1.31 0.82 -0.13 -0.41 0.00 -1.26 -4.69 120.64 113.67 2jvm n GLU 50 Ca 0.12 -0.09 -0.24 0.00 0.00 0.00 0.00 57.16 56.95 2jvm n GLU 50 Cb 0.28 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.16 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 -2.46 1.52 0.00 3.84 -2.24 -1.18 -5.04 114.28 108.73 2jvm n THR 51 Ca -0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2jvm n THR 51 Cb 0.84 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 1.31 1.13 3.23 3.38 0.00 -0.55 -4.89 105.19 108.82 2jvm n GLY 52 Ca -0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.27 -0.13 1.61 -0.71 -1.26 -0.47 117.98 114.76 2jvm s PHE 53 Ca 0.00 0.56 -0.01 0.00 -1.04 0.00 0.00 56.93 56.44 2jvm s PHE 53 Cb 0.00 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 2jvm s PHE 53 CO 0.00 -0.29 -0.12 0.54 -1.34 0.00 0.00 175.22 174.01 2jvm s VAL 54 N -0.63 3.19 -0.38 -2.49 0.11 -0.37 -4.25 120.40 115.58 2jvm s VAL 54 Ca -0.07 -0.61 -0.11 0.00 -2.93 0.00 0.00 61.98 58.26 2jvm s VAL 54 Cb -0.04 -2.35 0.03 0.00 -1.53 0.00 0.00 36.38 32.49 2jvm s VAL 54 CO 0.02 0.52 0.21 -1.61 -3.33 0.00 0.00 175.10 170.92 2jvm s GLU 55 N 0.33 2.80 0.30 1.54 2.02 -1.26 -2.94 118.70 121.48 2jvm s GLU 55 Ca -0.10 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.48 2jvm s GLU 55 Cb -0.16 -3.74 -0.11 0.00 0.10 0.00 0.00 34.13 30.22 2jvm s GLU 55 CO 0.05 -0.73 1.49 0.00 0.02 0.00 0.00 175.26 176.09 2jvm n GLY 57 N 1.66 3.83 2.11 0.00 0.00 -1.26 -4.23 105.19 107.30 2jvm n GLY 57 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.09 -3.47 -3.26 1.61 4.19 -1.26 -5.14 117.16 109.74 2jvm n TYR 58 Ca 0.33 0.97 -0.21 0.00 3.31 0.00 0.00 57.90 62.29 2jvm n TYR 58 Cb 0.86 2.22 0.04 0.00 0.49 0.00 0.00 39.34 42.94 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 -2.08 5.70 -4.35 0.00 -0.08 -1.26 -4.24 116.55 110.25 2jvm n ASP 60 Ca 0.11 -3.71 -0.34 0.00 -1.51 0.00 0.00 54.79 49.34 2jvm n ASP 60 Cb 0.62 -0.78 -0.14 0.00 2.34 0.00 0.00 41.12 43.16 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jvm s ARG 61 N -3.81 3.41 -0.31 -0.67 1.81 -1.26 -4.60 118.95 113.52 2jvm s ARG 61 Ca 0.46 -0.64 -0.10 0.00 -1.72 0.00 0.00 55.73 53.73 2jvm s ARG 61 Cb 0.28 -2.85 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2jvm s ARG 61 CO -0.17 0.01 0.17 1.03 -0.68 0.00 0.00 175.30 175.66 2jvm s ARG 62 N 0.93 3.50 -0.18 3.54 0.52 -1.26 -3.70 118.95 122.30 2jvm s ARG 62 Ca -0.01 -0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2jvm s ARG 62 Cb -0.15 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 2jvm s ARG 62 CO 0.00 -0.37 0.07 0.71 0.02 0.00 0.00 175.30 175.74 2jvm s TYR 63 N 1.66 3.30 -0.06 -0.53 1.51 -1.15 -4.26 117.35 117.82 2jvm s TYR 63 Ca 0.05 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 2jvm s TYR 63 Cb -0.17 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2jvm s TYR 63 CO 0.08 0.24 -0.14 0.42 -1.11 0.00 0.00 175.55 175.04 2jvm s ILE 64 N 0.20 3.12 0.22 2.71 1.01 -0.75 -1.23 121.20 126.48 2jvm s ILE 64 Ca 0.05 -0.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2jvm s ILE 64 Cb -0.12 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 2jvm s ILE 64 CO 0.00 0.59 0.73 -2.28 0.00 0.00 0.00 174.94 173.98 2jvm s HIS 65 N -0.68 3.65 0.55 3.97 5.65 0.39 -0.86 115.29 127.95 2jvm s HIS 65 Ca 0.10 1.39 0.26 0.00 0.25 0.00 0.00 55.06 57.07 2jvm s HIS 65 Cb -0.11 -2.62 1.45 0.00 -1.18 0.00 0.00 32.58 30.11 2jvm s HIS 65 CO 0.01 0.34 2.01 1.05 -0.65 0.00 0.00 174.74 177.50 2jvm h GLU 66 N 3.43 0.00 -0.02 2.88 -0.00 -1.04 -0.06 114.58 119.78 2jvm h GLU 66 Ca -0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 58.75 2jvm h GLU 66 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.93 2jvm h GLU 66 CO 0.65 0.00 -0.62 1.03 -0.00 0.00 0.00 179.01 180.07 2jvm h SER 67 N 0.00 0.07 1.27 3.06 0.87 -1.92 -1.90 113.55 115.00 2jvm h SER 67 Ca 0.21 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 2jvm h SER 67 Cb 0.90 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2jvm h SER 67 CO -0.00 0.67 -0.72 0.15 -0.53 0.00 0.00 176.83 176.39 2jvm h PHE 68 N 0.04 0.00 0.00 2.24 3.57 -1.28 -3.45 116.94 118.06 2jvm h PHE 68 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jvm h PHE 68 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jvm h PHE 68 CO 0.01 0.72 0.00 0.00 -2.23 0.00 0.00 178.31 176.81 2jvm n ALA 69 N -2.28 0.00 -0.00 2.41 0.00 -0.98 -5.04 120.51 114.62 2jvm n ALA 69 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jvm n ALA 69 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.00 -2.08 0.00 0.00 -1.57 -3.40 119.26 112.20 2jvm h ALA 70 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jvm h ALA 70 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jvm h ALA 70 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.42 2jvm n ALA 71 N -2.21 -0.85 -0.11 0.00 0.00 -1.26 -5.01 120.51 111.07 2jvm n ALA 71 Ca -0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 2jvm n ALA 71 Cb 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.24 0.67 -0.42 0.00 4.81 -1.26 -5.00 118.16 116.73 2jvm n LYS 72 Ca -0.02 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2jvm n LYS 72 Cb 0.21 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2jvm n LYS 72 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2jvm n LEU 73 N -3.25 0.00 -0.11 3.14 4.77 -1.26 -5.03 117.00 115.27 2jvm n LEU 73 Ca -0.43 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.42 2jvm n LEU 73 Cb 1.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 2jvm n LEU 73 CO 0.30 -0.10 0.52 1.05 -1.33 0.00 0.00 177.39 177.83 2jvm h GLU 74 N 0.00 0.91 -5.92 3.23 4.11 -2.03 -3.47 114.58 111.41 2jvm h GLU 74 Ca 0.00 -0.51 -0.43 0.00 0.07 0.00 0.00 59.36 58.49 2jvm h GLU 74 Cb 0.00 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 2jvm h GLU 74 CO 0.00 1.15 -0.65 1.58 0.07 0.00 0.00 179.01 181.16 2jvm n HIS 75 N -4.06 -1.83 -5.05 2.06 -0.00 -1.26 -4.95 115.22 100.12 2jvm n HIS 75 Ca -0.03 0.61 -0.32 0.00 0.46 0.00 0.00 57.72 58.44 2jvm n HIS 75 Cb 0.56 -3.03 -0.15 0.00 -0.12 0.00 0.00 29.99 27.25 2jvm n HIS 75 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jvm s HIS 76 N -3.06 2.57 -0.34 1.57 -3.43 -1.26 -5.08 115.29 106.26 2jvm s HIS 76 Ca 0.53 -0.38 -0.29 0.00 -0.80 0.00 0.00 55.06 54.12 2jvm s HIS 76 Cb -0.28 -1.61 0.01 0.00 -1.43 0.00 0.00 32.58 29.26 2jvm s HIS 76 CO 0.65 0.02 1.30 -1.58 -2.00 0.00 0.00 174.74 173.13 2jvm s HIS 77 N -0.49 2.65 -0.65 0.38 2.46 -1.26 -4.95 115.29 113.42 2jvm s HIS 77 Ca 0.06 0.83 -0.27 0.00 0.47 0.00 0.00 55.06 56.14 2jvm s HIS 77 Cb -0.12 -4.03 0.02 0.00 -0.13 0.00 0.00 32.58 28.32 2jvm s HIS 77 CO 0.01 -1.70 1.42 -1.58 -2.47 0.00 0.00 174.74 170.42 2jvm s HIS 78 N 4.59 2.19 0.30 3.88 5.04 -1.26 -4.99 115.29 125.05 2jvm s HIS 78 Ca 0.56 0.29 0.04 0.00 -1.54 0.00 0.00 55.06 54.41 2jvm s HIS 78 Cb -0.15 -4.45 0.05 0.00 0.04 0.00 0.00 32.58 28.07 2jvm s HIS 78 CO 0.26 -2.06 0.42 -2.39 -2.34 0.00 0.00 174.74 168.62 2jvm n HIS 79 N 10.01 -2.72 0.86 3.88 1.44 -1.26 -5.32 115.22 122.11 2jvm n HIS 79 Ca 0.09 -1.04 0.10 0.00 -2.01 0.00 0.00 57.72 54.87 2jvm n HIS 79 Cb 0.50 -0.29 0.09 0.00 0.12 0.00 0.00 29.99 30.40 2jvm n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11