#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvm h ARG 2 N 0.00 0.30 -3.95 2.12 1.12 -2.13 -3.29 114.38 108.55 2jvm h ARG 2 Ca 0.00 -0.32 -0.74 0.00 -1.11 0.00 0.00 59.98 57.81 2jvm h ARG 2 Cb 0.00 0.09 -0.13 0.00 -0.01 0.00 0.00 29.97 29.92 2jvm h ARG 2 CO 0.00 1.02 2.10 -2.13 -3.11 0.00 0.00 179.97 177.85 2jvm n ARG 3 N -4.35 3.43 -3.38 0.20 0.63 -1.26 -4.79 116.66 107.13 2jvm n ARG 3 Ca -0.10 -3.42 -0.24 0.00 -0.92 0.00 0.00 57.85 53.17 2jvm n ARG 3 Cb 0.60 -3.04 -0.10 0.00 0.45 0.00 0.00 32.46 30.37 2jvm n ARG 3 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2jvm s GLN 4 N 1.28 0.69 0.12 -0.14 0.74 -1.24 -5.14 119.66 115.97 2jvm s GLN 4 Ca 0.42 -1.40 -0.12 0.00 0.05 0.00 0.00 55.36 54.32 2jvm s GLN 4 Cb 0.08 -1.12 -0.06 0.00 1.10 0.00 0.00 33.01 33.01 2jvm s GLN 4 CO -0.01 -1.26 0.48 -1.25 -0.55 0.00 0.00 175.29 172.70 2jvm s PRO 5 N 0.89 3.86 -0.09 1.67 0.04 -1.26 -5.01 135.00 135.10 2jvm s PRO 5 Ca 0.22 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 2jvm s PRO 5 Cb -0.13 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 2jvm s PRO 5 CO -0.05 0.50 0.44 0.15 0.04 0.00 0.00 177.00 178.08 2jvm s LYS 6 N -2.02 4.24 -0.21 4.56 1.02 -1.26 -5.07 119.74 121.01 2jvm s LYS 6 Ca 0.36 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.77 2jvm s LYS 6 Cb -0.14 -3.39 0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2jvm s LYS 6 CO 0.19 0.29 -0.10 0.99 -0.92 0.00 0.00 175.35 175.80 2jvm s THR 7 N 0.21 1.67 -0.33 2.17 2.01 -1.26 -5.10 115.64 115.02 2jvm s THR 7 Ca 0.24 -1.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 2jvm s THR 7 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2jvm s THR 7 CO 0.10 0.14 0.45 -0.13 -0.69 0.00 0.00 174.62 174.49 2jvm s ARG 8 N 1.38 3.70 0.28 4.92 0.52 -1.26 -5.05 118.95 123.43 2jvm s ARG 8 Ca -0.02 -0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 2jvm s ARG 8 Cb -0.17 -3.77 -0.10 0.00 0.52 0.00 0.00 34.95 31.44 2jvm s ARG 8 CO -0.08 -0.53 1.14 -0.65 0.02 0.00 0.00 175.30 175.20 2jvm s GLN 9 N 2.22 4.58 -0.20 3.54 -0.21 -1.26 -4.93 119.66 123.40 2jvm s GLN 9 Ca 0.16 1.88 0.06 0.00 0.02 0.00 0.00 55.36 57.49 2jvm s GLN 9 Cb -0.16 -3.17 0.49 0.00 1.00 0.00 0.00 33.01 31.17 2jvm s GLN 9 CO 0.12 0.13 1.41 0.39 -2.12 0.00 0.00 175.29 175.21 2jvm n GLU 10 N 1.21 2.86 -2.62 2.91 1.02 -1.26 -4.77 120.64 120.00 2jvm n GLU 10 Ca -0.01 -1.98 -0.43 0.00 -0.02 0.00 0.00 57.16 54.72 2jvm n GLU 10 Cb 0.44 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2jvm n GLU 10 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jvm n SER 11 N 0.04 4.96 0.07 1.62 7.64 -1.26 -4.71 113.62 121.98 2jvm n SER 11 Ca 0.26 -2.93 -0.07 0.00 1.01 0.00 0.00 58.87 57.14 2jvm n SER 11 Cb 1.01 -1.72 0.09 0.00 -1.01 0.00 0.00 64.21 62.57 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jvm h ALA 12 N 7.48 0.76 -2.51 -0.43 0.00 -2.04 -3.44 119.26 119.08 2jvm h ALA 12 Ca 0.43 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jvm h ALA 12 Cb 0.87 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.31 2jvm h ALA 12 CO 1.44 0.74 -0.33 0.50 0.00 0.00 0.00 179.25 181.60 2jvm s ARG 13 N -3.72 0.36 0.00 0.00 3.52 -1.26 -4.99 118.95 112.86 2jvm s ARG 13 Ca -0.05 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 2jvm s ARG 13 Cb 0.11 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 2jvm s ARG 13 CO 0.81 -0.22 0.68 -0.12 -0.81 0.00 0.00 175.30 175.64 2jvm n MET 14 N 5.08 0.00 -4.39 5.12 1.56 -1.26 -5.13 117.12 118.09 2jvm n MET 14 Ca -0.13 -0.39 -0.20 0.00 -0.27 0.00 0.00 57.70 56.71 2jvm n MET 14 Cb 0.51 -0.04 -0.10 0.00 2.15 0.00 0.00 33.22 35.74 2jvm n MET 14 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2jvm s SER 15 N -0.39 2.46 0.32 6.12 0.01 -1.26 -5.16 113.70 115.80 2jvm s SER 15 Ca 0.01 -1.19 0.03 0.00 1.31 0.00 0.00 55.95 56.11 2jvm s SER 15 Cb 0.01 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 2jvm s SER 15 CO -0.01 -0.39 0.08 -0.63 0.41 0.00 0.00 173.24 172.71 2jvm s ILE 16 N -3.14 0.93 0.00 1.44 1.09 -1.26 -5.10 121.20 115.17 2jvm s ILE 16 Ca 0.29 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.84 2jvm s ILE 16 Cb 0.04 -2.68 0.00 0.00 -1.06 0.00 0.00 42.46 38.76 2jvm s ILE 16 CO 0.11 0.00 0.00 -0.62 -0.10 0.00 0.00 174.94 174.33 2jvm n GLU 17 N -0.67 0.00 -4.58 2.79 -0.58 -1.26 -4.88 120.64 111.46 2jvm n GLU 17 Ca -0.02 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 2jvm n GLU 17 Cb 0.66 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.39 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jvm s ALA 18 N -1.61 1.28 -0.23 0.62 0.00 -1.26 -5.10 121.76 115.46 2jvm s ALA 18 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 2jvm s ALA 18 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2jvm s ALA 18 CO 0.00 0.29 1.70 -2.14 0.00 0.00 0.00 175.76 175.61 2jvm s PRO 19 N -0.70 3.67 -0.37 0.00 0.02 -1.26 -4.95 135.00 131.42 2jvm s PRO 19 Ca 0.05 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 2jvm s PRO 19 Cb -0.07 -4.09 -0.00 0.00 0.02 0.00 0.00 34.50 30.35 2jvm s PRO 19 CO 0.00 -1.45 1.59 -2.00 -0.33 0.00 0.00 177.00 174.82 2jvm s GLU 20 N 4.97 3.48 -0.19 5.54 2.12 -1.26 -4.98 118.70 128.38 2jvm s GLU 20 Ca 0.76 1.18 -0.14 0.00 0.36 0.00 0.00 54.97 57.13 2jvm s GLU 20 Cb -0.26 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 29.99 2jvm s GLU 20 CO 0.31 -1.68 0.31 0.99 -0.54 0.00 0.00 175.26 174.65 2jvm s THR 21 N 6.05 5.27 -0.09 -1.70 2.01 -1.26 -4.37 115.64 121.56 2jvm s THR 21 Ca 0.70 0.54 0.03 0.00 0.31 0.00 0.00 61.69 63.27 2jvm s THR 21 Cb -0.18 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2jvm s THR 21 CO 0.33 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.72 2jvm s VAL 22 N 0.94 2.73 -0.21 3.82 1.01 -1.16 -5.02 120.40 122.51 2jvm s VAL 22 Ca 0.16 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2jvm s VAL 22 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2jvm s VAL 22 CO 0.06 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.11 2jvm s VAL 23 N -0.09 4.80 0.08 2.92 1.01 -1.26 -0.23 120.40 127.64 2jvm s VAL 23 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2jvm s VAL 23 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2jvm s VAL 23 CO 0.04 0.40 -0.06 0.68 0.00 0.00 0.00 175.10 176.15 2jvm s VAL 24 N 0.88 0.59 -0.03 2.92 -7.23 0.40 -4.89 120.40 113.05 2jvm s VAL 24 Ca 0.05 -1.76 0.17 0.00 -1.81 0.00 0.00 61.98 58.63 2jvm s VAL 24 Cb -0.14 -1.46 -0.26 0.00 0.56 0.00 0.00 36.38 35.08 2jvm s VAL 24 CO 0.03 -0.81 0.36 -0.24 -0.31 0.00 0.00 175.10 174.13 2jvm n SER 25 N 0.25 1.06 -4.73 4.85 2.88 -1.26 -1.09 113.62 115.58 2jvm n SER 25 Ca -0.14 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.98 2jvm n SER 25 Cb 0.60 1.74 -0.03 0.00 -0.75 0.00 0.00 64.21 65.76 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 -3.15 3.67 -0.86 2.46 2.01 -1.26 -4.92 115.64 113.58 2jvm s THR 26 Ca -0.06 1.31 0.27 0.00 0.31 0.00 0.00 61.69 63.51 2jvm s THR 26 Cb 0.11 -3.84 0.19 0.00 0.01 0.00 0.00 72.50 68.97 2jvm s THR 26 CO 0.71 0.16 1.70 0.79 -0.69 0.00 0.00 174.62 177.30 2jvm n TRP 27 N 3.12 0.38 -4.03 4.92 7.02 -1.26 -4.68 117.44 122.91 2jvm n TRP 27 Ca 0.07 0.11 -0.23 0.00 -1.02 0.00 0.00 57.50 56.42 2jvm n TRP 27 Cb 0.45 -0.62 -0.17 0.00 -2.42 0.00 0.00 31.31 28.54 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 -3.06 1.08 0.19 -0.99 1.02 -1.26 -0.23 119.74 116.50 2jvm s LYS 28 Ca 0.11 -0.13 0.09 0.00 0.02 0.00 0.00 55.97 56.06 2jvm s LYS 28 Cb 0.16 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 2jvm s LYS 28 CO 0.61 -0.18 -0.18 0.08 -0.92 0.00 0.00 175.35 174.76 2jvm s VAL 29 N 1.42 1.92 -0.42 3.17 1.01 -0.13 -4.94 120.40 122.42 2jvm s VAL 29 Ca -0.02 -2.08 -0.18 0.00 0.00 0.00 0.00 61.98 59.70 2jvm s VAL 29 Cb -0.13 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2jvm s VAL 29 CO -0.03 -0.40 0.46 0.00 0.00 0.00 0.00 175.10 175.12 2jvm s ALA 30 N -2.38 3.42 -0.21 5.51 0.00 -1.26 -1.05 121.76 125.80 2jvm s ALA 30 Ca 0.20 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 2jvm s ALA 30 Cb -0.04 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2jvm s ALA 30 CO 0.08 -1.62 0.36 0.00 0.00 0.00 0.00 175.76 174.59 2jvm n ASP 32 N 4.46 0.26 0.00 0.00 2.03 -1.26 -0.05 116.55 121.99 2jvm n ASP 32 Ca -0.09 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.12 2jvm n ASP 32 Cb 0.51 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.09 1.43 0.00 0.27 0.00 -1.26 -3.73 105.19 101.81 2jvm n GLY 33 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.75 3.52 -0.02 0.00 0.10 -4.96 105.19 104.58 2jvm n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.93 -1.49 -0.21 1.61 8.01 -1.26 -4.81 118.70 122.48 2jvm s GLU 35 Ca 0.00 0.11 -0.34 0.00 0.01 0.00 0.00 54.97 54.75 2jvm s GLU 35 Cb 0.00 -1.55 -0.11 0.00 -4.31 0.00 0.00 34.13 28.16 2jvm s GLU 35 CO 0.00 -3.92 2.01 0.41 0.01 0.00 0.00 175.26 173.77 2jvm n GLY 36 N -0.23 1.03 2.42 -1.39 0.00 -1.26 -0.68 105.19 105.08 2jvm n GLY 36 Ca 0.11 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 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 8.19 -0.22 -3.20 4.61 0.00 -1.26 -4.92 120.51 123.71 2jvm n ALA 37 Ca 0.30 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 2jvm n ALA 37 Cb 0.27 -1.58 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.63 5.82 0.00 0.00 -0.00 0.15 -4.89 117.00 116.45 2jvm n LEU 38 Ca -0.14 -5.15 0.00 0.00 -0.00 0.00 0.00 56.01 50.72 2jvm n LEU 38 Cb 0.47 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 2jvm n LEU 38 CO 0.22 1.56 0.00 0.61 -0.00 0.00 0.00 177.39 179.78 2jvm n GLY 39 N 1.92 -0.26 3.93 -3.96 0.00 -1.25 0.02 105.19 105.59 2jvm n GLY 39 Ca 0.25 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.34 3.36 0.28 1.61 -3.43 -1.26 -4.91 115.29 107.60 2jvm s HIS 40 Ca 0.00 0.53 -0.29 0.00 -0.80 0.00 0.00 55.06 54.50 2jvm s HIS 40 Cb 0.00 -2.39 -0.14 0.00 -1.43 0.00 0.00 32.58 28.62 2jvm s HIS 40 CO 0.00 -0.43 1.20 -2.30 -2.00 0.00 0.00 174.74 171.22 2jvm n PRO 41 N -2.25 1.71 -1.67 -0.38 -0.02 -1.26 -4.16 135.00 126.97 2jvm n PRO 41 Ca 0.01 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.65 2jvm n PRO 41 Cb 0.57 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.10 2.57 -4.34 -0.52 0.63 -1.25 -4.74 116.66 110.10 2jvm n ARG 42 Ca 0.09 0.94 -0.20 0.00 -0.92 0.00 0.00 57.85 57.76 2jvm n ARG 42 Cb 0.32 -2.87 -0.10 0.00 0.45 0.00 0.00 32.46 30.26 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 4.44 1.80 -0.35 5.15 1.01 0.93 -4.95 120.40 128.42 2jvm s VAL 43 Ca 0.91 -2.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 2jvm s VAL 43 Cb -0.54 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2jvm s VAL 43 CO 0.46 -0.47 0.14 0.26 0.00 0.00 0.00 175.10 175.49 2jvm s TRP 44 N -2.56 3.26 0.29 5.22 0.52 -1.26 0.36 118.94 124.77 2jvm s TRP 44 Ca 0.20 -1.29 0.07 0.00 0.02 0.00 0.00 56.10 55.10 2jvm s TRP 44 Cb -0.03 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 2jvm s TRP 44 CO 0.07 -0.71 0.27 -0.51 0.02 0.00 0.00 176.95 176.09 2jvm s LEU 45 N 1.45 3.78 0.06 2.99 1.43 -0.21 -4.91 118.68 123.26 2jvm s LEU 45 Ca -0.00 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2jvm s LEU 45 Cb -0.20 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2jvm s LEU 45 CO 0.04 -0.19 -0.20 -0.55 0.23 0.00 0.00 176.35 175.68 2jvm s SER 46 N -3.94 2.36 -0.21 2.29 0.15 -1.26 -0.95 113.70 112.15 2jvm s SER 46 Ca 0.37 -0.56 -0.28 0.00 0.70 0.00 0.00 55.95 56.18 2jvm s SER 46 Cb -0.07 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2jvm s SER 46 CO 0.26 0.11 1.00 -0.63 1.20 0.00 0.00 173.24 175.19 2jvm s ILE 47 N -0.91 4.72 0.12 6.45 1.01 0.68 -4.85 121.20 128.41 2jvm s ILE 47 Ca 0.06 1.96 -0.31 0.00 0.00 0.00 0.00 60.65 62.37 2jvm s ILE 47 Cb -0.09 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 2jvm s ILE 47 CO 0.02 -0.14 1.85 -2.84 0.00 0.00 0.00 174.94 173.84 2jvm s PRO 48 N 2.96 4.14 0.00 2.79 0.02 -1.26 -4.87 135.00 138.78 2jvm s PRO 48 Ca 0.43 2.60 0.25 0.00 0.02 0.00 0.00 61.00 64.31 2jvm s PRO 48 Cb -0.16 -3.65 1.21 0.00 0.02 0.00 0.00 34.50 31.93 2jvm s PRO 48 CO 0.08 -0.86 1.83 0.72 -0.33 0.00 0.00 177.00 178.44 2jvm n HIS 49 N 5.87 0.00 0.10 6.54 8.25 -1.26 -1.31 115.22 133.41 2jvm n HIS 49 Ca 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.66 2jvm n HIS 49 Cb 0.38 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 2jvm n HIS 49 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jvm h GLU 50 N 0.00 0.00 0.00 -0.41 4.11 -1.96 -3.40 114.58 112.92 2jvm h GLU 50 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 2jvm h GLU 50 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2jvm h GLU 50 CO 0.00 0.42 -1.69 0.25 0.07 0.00 0.00 179.01 178.07 2jvm n THR 51 N -3.10 0.67 0.00 -1.06 -2.24 -1.04 -5.03 114.28 102.48 2jvm n THR 51 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2jvm n THR 51 Cb 0.76 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 2.23 0.93 3.32 3.38 0.00 -0.43 -5.03 105.19 109.59 2jvm n GLY 52 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 -0.13 1.61 -0.71 -1.26 -1.28 117.98 113.96 2jvm s PHE 53 Ca 0.00 0.16 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 2jvm s PHE 53 Cb 0.00 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2jvm s PHE 53 CO 0.00 -0.59 -0.13 0.54 -1.34 0.00 0.00 175.22 173.70 2jvm s VAL 54 N -2.68 1.43 -0.23 -2.49 0.11 0.32 -4.14 120.40 112.72 2jvm s VAL 54 Ca -0.04 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.29 2jvm s VAL 54 Cb -0.00 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 2jvm s VAL 54 CO -0.04 0.43 0.37 -1.61 -3.33 0.00 0.00 175.10 170.93 2jvm s GLU 55 N 1.34 4.10 0.24 1.54 8.01 -1.26 -1.33 118.70 131.34 2jvm s GLU 55 Ca 0.01 0.10 -0.30 0.00 0.01 0.00 0.00 54.97 54.78 2jvm s GLU 55 Cb -0.14 -3.59 -0.10 0.00 -4.31 0.00 0.00 34.13 25.99 2jvm s GLU 55 CO -0.07 -0.14 1.51 0.00 0.01 0.00 0.00 175.26 176.57 2jvm n GLY 57 N 2.49 -1.07 0.08 0.00 0.00 -1.26 -3.44 105.19 102.00 2jvm n GLY 57 Ca 0.08 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.06 0.00 -3.86 1.61 4.02 -1.26 -5.06 117.16 111.55 2jvm n TYR 58 Ca 0.21 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 58.01 2jvm n TYR 58 Cb 0.15 -0.77 -0.04 0.00 -0.02 0.00 0.00 39.34 38.67 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 -0.39 4.98 -4.61 0.00 2.03 -1.26 -3.64 116.55 113.65 2jvm n ASP 60 Ca -0.05 -2.32 -0.43 0.00 0.52 0.00 0.00 54.79 52.51 2jvm n ASP 60 Cb 0.61 -1.05 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 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 0.10 3.81 -0.24 -0.67 1.81 -1.26 -4.77 118.95 117.74 2jvm s ARG 61 Ca 0.00 0.82 0.02 0.00 -1.72 0.00 0.00 55.73 54.85 2jvm s ARG 61 Cb 0.00 -3.88 0.05 0.00 -0.45 0.00 0.00 34.95 30.67 2jvm s ARG 61 CO 0.00 -1.25 -0.13 0.50 -0.68 0.00 0.00 175.30 173.74 2jvm s ARG 62 N 4.28 2.50 -0.17 3.54 3.52 -1.26 -1.14 118.95 130.22 2jvm s ARG 62 Ca 0.50 -1.17 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2jvm s ARG 62 Cb -0.10 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2jvm s ARG 62 CO 0.27 -0.46 0.06 0.71 -0.81 0.00 0.00 175.30 175.07 2jvm s TYR 63 N 1.17 3.26 -0.07 5.12 1.51 -0.44 -2.98 117.35 124.92 2jvm s TYR 63 Ca -0.04 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2jvm s TYR 63 Cb -0.18 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 2jvm s TYR 63 CO -0.07 0.23 -0.13 0.42 -1.11 0.00 0.00 175.55 174.89 2jvm s ILE 64 N 0.12 3.18 0.40 2.71 -1.09 0.68 -0.52 121.20 126.68 2jvm s ILE 64 Ca 0.05 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.56 2jvm s ILE 64 Cb -0.12 -2.27 -0.09 0.00 -1.58 0.00 0.00 42.46 38.40 2jvm s ILE 64 CO 0.01 0.58 1.08 -2.28 -1.23 0.00 0.00 174.94 173.09 2jvm s HIS 65 N -0.51 3.23 0.31 3.97 2.46 -0.41 -0.45 115.29 123.89 2jvm s HIS 65 Ca 0.07 1.63 0.06 0.00 0.47 0.00 0.00 55.06 57.29 2jvm s HIS 65 Cb -0.12 -3.19 0.74 0.00 -0.13 0.00 0.00 32.58 29.89 2jvm s HIS 65 CO 0.02 -0.78 1.80 1.05 -2.47 0.00 0.00 174.74 174.35 2jvm h GLU 66 N 2.56 0.75 0.00 2.88 4.11 -1.44 -0.47 114.58 122.96 2jvm h GLU 66 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2jvm h GLU 66 Cb 1.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2jvm h GLU 66 CO 0.62 0.49 -0.02 1.03 0.07 0.00 0.00 179.01 181.21 2jvm h SER 67 N 0.77 0.00 0.80 3.06 0.87 -1.87 -1.45 113.55 115.73 2jvm h SER 67 Ca 0.55 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.03 2jvm h SER 67 Cb 0.85 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2jvm h SER 67 CO -0.33 0.00 -1.26 0.33 -0.53 0.00 0.00 176.83 175.04 2jvm n PHE 68 N -2.61 0.91 -0.07 2.24 7.35 -0.31 -4.19 117.46 120.79 2jvm n PHE 68 Ca 0.05 0.28 -0.09 0.00 -0.76 0.00 0.00 57.45 56.93 2jvm n PHE 68 Cb 0.47 -1.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.24 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvm h ALA 69 N 1.73 0.03 -1.15 3.13 0.00 -1.01 -3.48 119.26 118.51 2jvm h ALA 69 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jvm h ALA 69 Cb 1.28 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jvm h ALA 69 CO 0.02 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2jvm n ALA 70 N -2.87 2.62 -3.61 0.00 0.00 -0.58 -5.11 120.51 110.96 2jvm n ALA 70 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2jvm n ALA 70 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm s ALA 71 N -2.00 -2.03 0.25 0.00 0.00 -0.99 -4.89 121.76 112.10 2jvm s ALA 71 Ca 0.00 1.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 2jvm s ALA 71 Cb 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 2jvm s ALA 71 CO 0.00 -0.26 0.70 0.21 0.00 0.00 0.00 175.76 176.41 2jvm s LYS 72 N -0.85 4.13 0.04 0.00 2.20 -1.26 -4.43 119.74 119.56 2jvm s LYS 72 Ca 0.03 0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 56.08 2jvm s LYS 72 Cb -0.01 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2jvm s LYS 72 CO -0.04 0.33 1.38 -0.51 -0.36 0.00 0.00 175.35 176.14 2jvm s LEU 73 N -2.32 4.34 0.06 5.43 1.02 -1.26 -4.94 118.68 121.01 2jvm s LEU 73 Ca 0.46 2.16 -0.31 0.00 0.02 0.00 0.00 54.13 56.47 2jvm s LEU 73 Cb -0.14 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.43 2jvm s LEU 73 CO 0.20 -0.67 1.38 -0.70 0.02 0.00 0.00 176.35 176.57 2jvm s GLU 74 N 1.89 4.31 0.00 1.70 -6.30 -1.26 -4.87 118.70 114.17 2jvm s GLU 74 Ca 0.64 2.00 0.00 0.00 -2.50 0.00 0.00 54.97 55.11 2jvm s GLU 74 Cb -0.33 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.40 2jvm s GLU 74 CO 0.28 -0.48 0.97 0.72 0.02 0.00 0.00 175.26 176.76 2jvm n HIS 75 N 4.59 0.00 -3.71 5.30 8.25 -1.26 -4.98 115.22 123.41 2jvm n HIS 75 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 2jvm n HIS 75 Cb 0.43 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.38 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 0.00 2.05 0.06 4.41 5.65 -1.26 -5.11 115.29 121.09 2jvm s HIS 76 Ca 0.00 -2.48 0.08 0.00 0.25 0.00 0.00 55.06 52.91 2jvm s HIS 76 Cb 0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.46 2jvm s HIS 76 CO 0.00 -0.77 -0.23 -1.01 -0.65 0.00 0.00 174.74 172.07 2jvm s HIS 77 N 0.24 2.04 0.46 3.88 3.76 -1.26 -5.14 115.29 119.27 2jvm s HIS 77 Ca 0.19 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2jvm s HIS 77 Cb -0.22 -1.19 0.05 0.00 1.11 0.00 0.00 32.58 32.33 2jvm s HIS 77 CO -0.01 0.15 0.45 0.72 -0.85 0.00 0.00 174.74 175.19 2jvm n HIS 78 N 1.62 -1.35 -3.49 1.40 8.25 -1.26 -5.12 115.22 115.27 2jvm n HIS 78 Ca -0.17 -1.84 -0.26 0.00 -0.26 0.00 0.00 57.72 55.18 2jvm n HIS 78 Cb 0.53 -0.40 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 2jvm n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvm s HIS 79 N -2.13 0.21 -2.43 4.41 2.46 -1.26 -5.28 115.29 111.28 2jvm s HIS 79 Ca 0.34 -0.87 0.29 0.00 0.47 0.00 0.00 55.06 55.29 2jvm s HIS 79 Cb -0.03 -0.80 1.16 0.00 -0.13 0.00 0.00 32.58 32.79 2jvm s HIS 79 CO 0.22 -0.85 1.81 1.58 -2.47 0.00 0.00 174.74 175.02