#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 3.23 -0.30 0.03 1.70 -1.26 -5.09 118.95 117.26 2jvm s ARG 2 Ca 0.00 -0.72 -0.07 0.00 -0.47 0.00 0.00 55.73 54.47 2jvm s ARG 2 Cb 0.00 -2.54 0.17 0.00 -0.57 0.00 0.00 34.95 32.01 2jvm s ARG 2 CO 0.00 0.25 0.73 0.50 -1.08 0.00 0.00 175.30 175.70 2jvm s ARG 3 N 0.23 0.48 -0.55 3.89 3.52 -1.26 -5.02 118.95 120.23 2jvm s ARG 3 Ca -0.10 0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 56.26 2jvm s ARG 3 Cb -0.16 0.56 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 2jvm s ARG 3 CO 0.06 -0.39 0.59 0.00 -0.81 0.00 0.00 175.30 174.75 2jvm n GLN 4 N 5.39 -1.64 -0.66 5.12 10.64 -1.26 -4.99 117.38 129.98 2jvm n GLN 4 Ca -0.06 1.06 -0.04 0.00 -1.83 0.00 0.00 57.00 56.13 2jvm n GLN 4 Cb 0.51 -1.91 0.03 0.00 -0.86 0.00 0.00 30.24 28.01 2jvm n GLN 4 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2jvm n PRO 5 N -1.09 0.18 -4.05 2.61 -0.04 -1.26 -5.08 135.00 126.27 2jvm n PRO 5 Ca -0.17 -0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 62.58 2jvm n PRO 5 Cb 0.64 -0.16 -0.15 0.00 -0.04 0.00 0.00 33.50 33.79 2jvm n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jvm s LYS 6 N -3.12 2.14 0.21 0.54 1.02 -1.26 -5.10 119.74 114.18 2jvm s LYS 6 Ca 0.11 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 2jvm s LYS 6 Cb -0.00 -2.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 2jvm s LYS 6 CO 0.08 -0.59 1.35 0.99 -0.92 0.00 0.00 175.35 176.26 2jvm s THR 7 N 1.13 3.03 0.08 2.17 2.01 -1.26 -4.93 115.64 117.87 2jvm s THR 7 Ca -0.08 0.86 -0.32 0.00 0.31 0.00 0.00 61.69 62.46 2jvm s THR 7 Cb -0.20 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 2jvm s THR 7 CO -0.05 0.13 1.83 0.54 -0.69 0.00 0.00 174.62 176.38 2jvm n ARG 8 N 2.56 2.61 -2.59 4.92 1.74 -1.26 -4.99 116.66 119.65 2jvm n ARG 8 Ca 0.06 0.95 -0.22 0.00 -0.77 0.00 0.00 57.85 57.88 2jvm n ARG 8 Cb 0.42 -2.83 0.05 0.00 -1.02 0.00 0.00 32.46 29.08 2jvm n ARG 8 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jvm s GLN 9 N 2.96 2.34 -1.81 5.56 -0.21 -1.26 -4.22 119.66 123.03 2jvm s GLN 9 Ca 0.84 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2jvm s GLN 9 Cb -0.54 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.04 2jvm s GLN 9 CO 0.41 -0.90 0.00 0.39 -2.12 0.00 0.00 175.29 173.06 2jvm n GLU 10 N -2.49 -1.64 -0.36 2.91 -0.58 -1.26 -4.84 120.64 112.38 2jvm n GLU 10 Ca 0.09 1.01 0.08 0.00 -0.42 0.00 0.00 57.16 57.93 2jvm n GLU 10 Cb 0.60 -5.55 0.26 0.00 -0.57 0.00 0.00 31.44 26.19 2jvm n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jvm n SER 11 N -1.65 3.32 -3.74 1.62 2.88 -1.26 -4.89 113.62 109.91 2jvm n SER 11 Ca -0.21 -2.13 -0.12 0.00 -1.33 0.00 0.00 58.87 55.08 2jvm n SER 11 Cb 0.66 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.44 -0.77 -0.35 -1.46 0.00 -1.26 -5.13 121.76 111.34 2jvm s ALA 12 Ca 0.39 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 2jvm s ALA 12 Cb 0.22 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.63 2jvm s ALA 12 CO 0.23 -0.39 0.17 0.50 0.00 0.00 0.00 175.76 176.27 2jvm s ARG 13 N -2.27 2.86 -1.49 0.00 3.52 -1.26 -5.00 118.95 115.31 2jvm s ARG 13 Ca -0.07 -1.05 -0.13 0.00 -0.13 0.00 0.00 55.73 54.36 2jvm s ARG 13 Cb -0.02 -3.63 0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2jvm s ARG 13 CO -0.01 -0.64 2.38 -0.12 -0.81 0.00 0.00 175.30 176.09 2jvm n MET 14 N 4.95 3.10 -2.76 5.12 0.00 -1.26 -4.51 117.12 121.76 2jvm n MET 14 Ca -0.12 -2.57 -0.04 0.00 -0.00 0.00 0.00 57.70 54.97 2jvm n MET 14 Cb 0.46 -3.16 0.01 0.00 0.00 0.00 0.00 33.22 30.54 2jvm n MET 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2jvm n SER 15 N 5.38 -3.42 -4.04 6.12 2.88 -1.26 -5.15 113.62 114.12 2jvm n SER 15 Ca 0.57 -2.93 -0.07 0.00 -1.33 0.00 0.00 58.87 55.11 2jvm n SER 15 Cb 0.35 1.76 -0.09 0.00 -0.75 0.00 0.00 64.21 65.47 2jvm n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jvm s ILE 16 N 0.86 0.20 0.13 2.46 1.01 -1.26 -5.18 121.20 119.42 2jvm s ILE 16 Ca 0.30 -1.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.27 2jvm s ILE 16 Cb 0.01 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2jvm s ILE 16 CO -0.06 -0.92 0.06 -0.70 0.00 0.00 0.00 174.94 173.32 2jvm s GLU 17 N -3.84 0.91 -0.22 2.79 2.12 -1.26 -5.16 118.70 114.04 2jvm s GLU 17 Ca 0.06 -1.41 -0.11 0.00 0.36 0.00 0.00 54.97 53.87 2jvm s GLU 17 Cb 0.07 0.25 0.07 0.00 0.26 0.00 0.00 34.13 34.78 2jvm s GLU 17 CO -0.10 -0.26 0.51 0.00 -0.54 0.00 0.00 175.26 174.88 2jvm s ALA 18 N -4.03 -1.38 0.39 6.30 0.00 -1.26 -5.02 121.76 116.75 2jvm s ALA 18 Ca 0.22 1.85 -0.28 0.00 0.00 0.00 0.00 51.96 53.76 2jvm s ALA 18 Cb 0.07 -1.20 -0.11 0.00 0.00 0.00 0.00 23.12 21.89 2jvm s ALA 18 CO 0.01 -0.42 1.49 -2.30 0.00 0.00 0.00 175.76 174.54 2jvm n PRO 19 N 4.53 2.67 -3.43 0.00 -0.02 -1.26 -2.89 135.00 134.59 2jvm n PRO 19 Ca -0.19 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 2jvm n PRO 19 Cb 0.55 -2.68 0.09 0.00 -0.02 0.00 0.00 33.50 31.43 2jvm n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jvm n GLU 20 N 0.37 -6.20 -3.30 -0.52 1.02 -1.26 -4.84 120.64 105.92 2jvm n GLU 20 Ca 0.01 0.84 -0.37 0.00 -0.02 0.00 0.00 57.16 57.63 2jvm n GLU 20 Cb 0.39 -5.83 -0.06 0.00 -0.02 0.00 0.00 31.44 25.92 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 -3.38 4.78 -0.16 2.62 -1.32 -1.14 -4.82 115.64 112.21 2jvm s THR 21 Ca 0.04 1.04 -0.02 0.00 -1.21 0.00 0.00 61.69 61.54 2jvm s THR 21 Cb -0.00 -3.82 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 2jvm s THR 21 CO 0.74 0.37 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.74 2jvm s VAL 22 N -1.32 3.31 -0.28 5.08 1.01 -1.25 -4.98 120.40 121.97 2jvm s VAL 22 Ca 0.35 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 2jvm s VAL 22 Cb -0.17 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2jvm s VAL 22 CO 0.19 0.49 0.72 -0.69 0.00 0.00 0.00 175.10 175.81 2jvm s VAL 23 N 0.67 4.88 0.22 2.92 1.01 -1.25 -1.24 120.40 127.61 2jvm s VAL 23 Ca -0.05 1.17 0.11 0.00 0.00 0.00 0.00 61.98 63.21 2jvm s VAL 23 Cb -0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2jvm s VAL 23 CO 0.02 -0.12 -0.19 0.68 0.00 0.00 0.00 175.10 175.49 2jvm s VAL 24 N 2.74 2.57 -1.68 2.92 -7.23 0.11 -4.86 120.40 114.98 2jvm s VAL 24 Ca 0.30 -2.07 0.16 0.00 -1.81 0.00 0.00 61.98 58.56 2jvm s VAL 24 Cb -0.15 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.55 2jvm s VAL 24 CO 0.10 -0.21 0.91 -0.24 -0.31 0.00 0.00 175.10 175.36 2jvm n SER 25 N -0.07 1.89 -4.60 4.85 2.88 -1.26 -0.77 113.62 116.54 2jvm n SER 25 Ca -0.10 -1.44 -0.34 0.00 -1.33 0.00 0.00 58.87 55.66 2jvm n SER 25 Cb 0.57 0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.71 4.16 0.07 2.46 2.01 -1.26 -4.97 115.64 116.41 2jvm s THR 26 Ca 0.15 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 2jvm s THR 26 Cb 0.13 -2.79 -0.29 0.00 0.01 0.00 0.00 72.50 69.56 2jvm s THR 26 CO 0.33 0.54 1.13 -0.50 -0.69 0.00 0.00 174.62 175.44 2jvm h TRP 27 N 5.96 0.50 -3.30 4.92 4.06 -1.92 -3.41 115.95 122.77 2jvm h TRP 27 Ca -0.41 -0.37 -0.71 0.00 2.06 0.00 0.00 58.89 59.46 2jvm h TRP 27 Cb 1.19 -0.02 -0.20 0.00 -1.00 0.00 0.00 29.16 29.13 2jvm h TRP 27 CO 0.58 1.29 -0.13 0.15 -3.56 0.00 0.00 178.44 176.76 2jvm s LYS 28 N -2.65 3.06 -0.11 0.49 1.02 -1.26 -0.23 119.74 120.06 2jvm s LYS 28 Ca -0.04 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 2jvm s LYS 28 Cb 0.07 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.24 2jvm s LYS 28 CO 0.89 -1.11 0.03 0.14 -0.92 0.00 0.00 175.35 174.37 2jvm s VAL 29 N 2.18 4.51 -0.58 3.17 -7.23 -0.90 -4.86 120.40 116.69 2jvm s VAL 29 Ca 0.10 -0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 59.89 2jvm s VAL 29 Cb -0.21 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.86 2jvm s VAL 29 CO 0.10 0.58 0.85 0.00 -0.31 0.00 0.00 175.10 176.32 2jvm s ALA 30 N -0.69 3.22 -0.10 1.32 0.00 -1.26 -0.36 121.76 123.90 2jvm s ALA 30 Ca 0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.38 2jvm s ALA 30 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2jvm s ALA 30 CO 0.02 -2.42 0.07 0.00 0.00 0.00 0.00 175.76 173.43 2jvm n ASP 32 N 2.11 0.51 0.00 0.00 2.03 -1.26 -0.03 116.55 119.90 2jvm n ASP 32 Ca -0.19 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 52.90 2jvm n ASP 32 Cb 0.54 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.31 1.89 0.14 0.27 0.00 -1.25 -3.45 105.19 102.48 2jvm n GLY 33 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 3.79 -0.02 0.00 0.62 -4.98 105.19 104.49 2jvm n GLY 34 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.14 1.76 0.03 1.61 0.41 -1.06 -5.03 118.70 114.28 2jvm s GLU 35 Ca -0.10 -1.09 -0.34 0.00 -0.41 0.00 0.00 54.97 53.04 2jvm s GLU 35 Cb 0.03 0.58 -0.12 0.00 -1.78 0.00 0.00 34.13 32.83 2jvm s GLU 35 CO 0.16 -0.79 1.75 0.41 -0.49 0.00 0.00 175.26 176.30 2jvm n GLY 36 N -0.45 1.34 3.53 -1.39 0.00 -1.26 -0.33 105.19 106.63 2jvm n GLY 36 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 5.24 0.00 -3.26 4.61 0.00 -1.26 -4.89 120.51 120.94 2jvm n ALA 37 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2jvm n ALA 37 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 5.68 0.00 0.00 4.77 0.55 -4.78 117.00 123.21 2jvm n LEU 38 Ca 0.00 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.87 2jvm n LEU 38 Cb 0.00 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 2jvm n LEU 38 CO 0.00 1.48 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 2jvm n GLY 39 N 2.20 1.13 3.41 -0.72 0.00 -1.26 -0.28 105.19 109.67 2jvm n GLY 39 Ca 0.25 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.02 0.81 1.61 -3.43 -1.26 -4.94 115.29 108.10 2jvm s HIS 40 Ca 0.00 -0.37 -0.13 0.00 -0.80 0.00 0.00 55.06 53.76 2jvm s HIS 40 Cb 0.00 0.21 0.09 0.00 -1.43 0.00 0.00 32.58 31.45 2jvm s HIS 40 CO 0.00 -0.80 1.20 -2.14 -2.00 0.00 0.00 174.74 171.01 2jvm s PRO 41 N -3.88 1.60 -0.15 -0.38 0.02 -1.26 -3.90 135.00 127.05 2jvm s PRO 41 Ca 0.10 1.74 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 2jvm s PRO 41 Cb 0.01 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 2jvm s PRO 41 CO -0.04 -2.24 2.07 -2.13 -0.33 0.00 0.00 177.00 174.32 2jvm n ARG 42 N -3.35 2.08 -4.42 5.54 0.63 -1.25 -4.61 116.66 111.28 2jvm n ARG 42 Ca 0.13 0.69 -0.26 0.00 -0.92 0.00 0.00 57.85 57.49 2jvm n ARG 42 Cb 0.51 -2.89 -0.11 0.00 0.45 0.00 0.00 32.46 30.41 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 6.08 2.30 -0.41 5.15 1.01 0.96 -4.95 120.40 130.54 2jvm s VAL 43 Ca 0.97 -2.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 2jvm s VAL 43 Cb -0.55 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 33.81 2jvm s VAL 43 CO 0.44 -0.19 0.22 0.26 0.00 0.00 0.00 175.10 175.82 2jvm s TRP 44 N -1.86 3.43 0.61 5.22 0.52 -1.26 -0.20 118.94 125.40 2jvm s TRP 44 Ca 0.22 -1.93 0.00 0.00 0.02 0.00 0.00 56.10 54.41 2jvm s TRP 44 Cb -0.07 -3.01 0.06 0.00 -1.15 0.00 0.00 33.47 29.30 2jvm s TRP 44 CO 0.10 -0.90 0.86 -0.51 0.02 0.00 0.00 176.95 176.51 2jvm s LEU 45 N 1.29 3.15 -0.20 2.99 1.43 0.52 -4.88 118.68 122.98 2jvm s LEU 45 Ca 0.04 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2jvm s LEU 45 Cb -0.23 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.41 2jvm s LEU 45 CO -0.01 -1.38 0.05 -0.44 0.23 0.00 0.00 176.35 174.80 2jvm s SER 46 N -4.52 2.84 0.03 2.29 0.01 -1.26 -2.11 113.70 110.98 2jvm s SER 46 Ca 0.60 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2jvm s SER 46 Cb -0.09 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 2jvm s SER 46 CO 0.41 -0.32 1.30 -0.63 0.41 0.00 0.00 173.24 174.40 2jvm s ILE 47 N 1.92 3.85 0.23 1.44 1.01 0.68 -4.97 121.20 125.35 2jvm s ILE 47 Ca 0.00 1.27 -0.32 0.00 0.00 0.00 0.00 60.65 61.61 2jvm s ILE 47 Cb -0.17 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.36 2jvm s ILE 47 CO -0.10 0.05 1.62 -2.65 0.00 0.00 0.00 174.94 173.86 2jvm n PRO 48 N 4.66 2.55 0.19 2.79 -0.02 -1.26 -4.89 135.00 139.02 2jvm n PRO 48 Ca 0.11 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.63 2jvm n PRO 48 Cb 0.45 -2.71 0.26 0.00 -0.02 0.00 0.00 33.50 31.49 2jvm n PRO 48 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jvm h HIS 49 N 5.69 0.00 -0.33 6.00 3.86 -1.96 -2.67 115.15 125.74 2jvm h HIS 49 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2jvm h HIS 49 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2jvm h HIS 49 CO 0.61 0.00 0.00 -0.85 0.86 0.00 0.00 177.93 178.55 2jvm n GLU 50 N -2.83 2.04 0.02 2.45 0.00 -1.26 -4.38 120.64 116.69 2jvm n GLU 50 Ca 0.04 -1.59 -0.01 0.00 0.00 0.00 0.00 57.16 55.60 2jvm n GLU 50 Cb 0.49 -1.41 -0.00 0.00 0.00 0.00 0.00 31.44 30.51 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 0.80 0.84 0.00 3.84 -2.24 -1.12 -5.04 114.28 111.36 2jvm n THR 51 Ca 0.17 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2jvm n THR 51 Cb 0.42 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 3.21 0.54 3.59 3.38 0.00 -1.02 -5.04 105.19 109.85 2jvm n GLY 52 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 -0.20 1.61 -0.71 -1.26 -0.89 117.98 114.26 2jvm s PHE 53 Ca 0.00 0.08 -0.28 0.00 -1.04 0.00 0.00 56.93 55.69 2jvm s PHE 53 Cb 0.00 0.58 0.11 0.00 -1.21 0.00 0.00 43.02 42.50 2jvm s PHE 53 CO 0.00 -0.66 0.94 0.54 -1.34 0.00 0.00 175.22 174.70 2jvm s VAL 54 N -3.21 0.00 0.62 -2.49 0.11 -0.80 -4.66 120.40 109.98 2jvm s VAL 54 Ca 0.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 2jvm s VAL 54 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2jvm s VAL 54 CO -0.05 0.00 1.03 -1.61 -3.33 0.00 0.00 175.10 171.14 2jvm s GLU 55 N -0.51 3.43 0.24 1.54 8.01 -1.26 -0.97 118.70 129.19 2jvm s GLU 55 Ca -0.01 0.89 -0.30 0.00 0.01 0.00 0.00 54.97 55.56 2jvm s GLU 55 Cb -0.02 -2.06 -0.09 0.00 -4.31 0.00 0.00 34.13 27.65 2jvm s GLU 55 CO 0.00 -0.70 1.14 0.00 0.01 0.00 0.00 175.26 175.70 2jvm n GLY 57 N 1.56 -1.28 0.03 0.00 0.00 -1.26 -3.27 105.19 100.96 2jvm n GLY 57 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.86 0.00 -4.14 1.61 4.02 -1.26 -5.06 117.16 110.47 2jvm n TYR 58 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 2jvm n TYR 58 Cb 0.26 -0.35 -0.10 0.00 -0.02 0.00 0.00 39.34 39.13 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jvm h ASP 60 N 2.95 0.21 -4.10 0.00 3.58 -1.97 -3.20 116.42 113.90 2jvm h ASP 60 Ca -0.35 -0.03 -0.53 0.00 0.42 0.00 0.00 57.03 56.54 2jvm h ASP 60 Cb 1.18 -0.05 0.11 0.00 1.72 0.00 0.00 39.33 42.28 2jvm h ASP 60 CO 0.63 0.31 0.47 -0.13 -2.88 0.00 0.00 179.24 177.63 2jvm s ARG 61 N -4.87 3.00 0.07 0.28 0.52 -1.26 -4.63 118.95 112.05 2jvm s ARG 61 Ca -0.06 1.81 0.10 0.00 -0.52 0.00 0.00 55.73 57.06 2jvm s ARG 61 Cb 0.16 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 2jvm s ARG 61 CO 0.72 -1.18 -0.26 0.50 0.02 0.00 0.00 175.30 175.09 2jvm s ARG 62 N -3.33 1.69 0.06 3.54 3.52 -1.26 -1.05 118.95 122.12 2jvm s ARG 62 Ca 0.77 -1.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 2jvm s ARG 62 Cb -0.30 -1.95 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 2jvm s ARG 62 CO 0.33 0.49 -0.08 0.71 -0.81 0.00 0.00 175.30 175.94 2jvm s TYR 63 N -0.87 2.82 -0.03 5.12 2.02 -0.14 -3.88 117.35 122.39 2jvm s TYR 63 Ca 0.12 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 2jvm s TYR 63 Cb -0.10 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2jvm s TYR 63 CO 0.03 0.41 -0.18 0.42 -1.57 0.00 0.00 175.55 174.66 2jvm s ILE 64 N -1.14 1.44 0.30 2.71 1.01 -0.37 -1.90 121.20 123.25 2jvm s ILE 64 Ca 0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 2jvm s ILE 64 Cb -0.11 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 2jvm s ILE 64 CO 0.12 0.41 0.80 -2.28 0.00 0.00 0.00 174.94 173.99 2jvm s HIS 65 N -0.18 3.53 0.34 3.97 5.65 -0.07 0.10 115.29 128.63 2jvm s HIS 65 Ca 0.01 1.44 0.15 0.00 0.25 0.00 0.00 55.06 56.91 2jvm s HIS 65 Cb -0.09 -2.68 1.09 0.00 -1.18 0.00 0.00 32.58 29.71 2jvm s HIS 65 CO 0.01 0.18 1.67 1.05 -0.65 0.00 0.00 174.74 177.00 2jvm h GLU 66 N 2.84 0.33 0.00 2.88 4.11 -1.24 -0.01 114.58 123.48 2jvm h GLU 66 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jvm h GLU 66 Cb 1.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jvm h GLU 66 CO 0.65 0.22 0.00 0.43 0.07 0.00 0.00 179.01 180.37 2jvm n SER 67 N -5.02 0.00 -0.03 3.06 7.64 -1.26 -1.97 113.62 116.04 2jvm n SER 67 Ca 0.31 -0.27 -0.07 0.00 1.01 0.00 0.00 58.87 59.86 2jvm n SER 67 Cb 0.98 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.84 2jvm n SER 67 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2jvm n PHE 68 N -1.20 0.68 -3.11 1.43 7.35 -0.02 -4.84 117.46 117.75 2jvm n PHE 68 Ca 0.14 0.24 -0.00 0.00 -0.76 0.00 0.00 57.45 57.06 2jvm n PHE 68 Cb 0.16 -1.09 -0.01 0.00 0.35 0.00 0.00 39.48 38.89 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvm s ALA 69 N -2.66 -2.29 -0.11 3.13 0.00 -0.83 -4.98 121.76 114.02 2jvm s ALA 69 Ca -0.06 0.06 0.13 0.00 0.00 0.00 0.00 51.96 52.09 2jvm s ALA 69 Cb 0.08 -2.73 -0.24 0.00 0.00 0.00 0.00 23.12 20.23 2jvm s ALA 69 CO 0.83 -2.22 0.41 0.00 0.00 0.00 0.00 175.76 174.78 2jvm n ALA 70 N 4.07 1.46 -0.96 0.00 0.00 -1.00 -4.75 120.51 119.34 2jvm n ALA 70 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2jvm n ALA 70 Cb 0.57 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.67 0.00 -3.01 0.00 0.00 -1.26 -4.60 120.51 108.97 2jvm n ALA 71 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2jvm n ALA 71 Cb 1.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.46 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 0.78 0.53 0.00 1.02 -1.26 -5.17 119.74 115.64 2jvm s LYS 72 Ca 0.00 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.44 2jvm s LYS 72 Cb 0.00 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.63 2jvm s LYS 72 CO 0.00 -0.24 0.85 -0.51 -0.92 0.00 0.00 175.35 174.53 2jvm s LEU 73 N -1.99 3.45 -0.81 3.17 1.43 -1.26 -5.01 118.68 117.67 2jvm s LEU 73 Ca -0.06 0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 53.73 2jvm s LEU 73 Cb -0.01 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.48 2jvm s LEU 73 CO -0.03 -0.78 1.08 -0.70 0.23 0.00 0.00 176.35 176.16 2jvm s GLU 74 N -4.87 3.36 0.43 1.70 2.56 -1.26 -4.88 118.70 115.73 2jvm s GLU 74 Ca 0.50 -1.23 0.00 0.00 0.00 0.00 0.00 54.97 54.25 2jvm s GLU 74 Cb -0.10 -4.62 0.00 0.00 2.00 0.00 0.00 34.13 31.41 2jvm s GLU 74 CO 0.46 -1.85 0.00 0.72 -0.56 0.00 0.00 175.26 174.03 2jvm n HIS 75 N 7.39 -2.64 -2.96 5.30 8.25 -1.26 -4.77 115.22 124.53 2jvm n HIS 75 Ca 0.11 1.46 -0.42 0.00 -0.26 0.00 0.00 57.72 58.61 2jvm n HIS 75 Cb 0.48 -2.40 -0.05 0.00 1.12 0.00 0.00 29.99 29.14 2jvm n HIS 75 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jvm s HIS 76 N -3.93 3.19 0.44 4.41 3.76 -1.26 -5.03 115.29 116.86 2jvm s HIS 76 Ca 0.00 0.76 0.03 0.00 -0.15 0.00 0.00 55.06 55.70 2jvm s HIS 76 Cb 0.00 -3.23 -0.02 0.00 1.11 0.00 0.00 32.58 30.44 2jvm s HIS 76 CO 0.00 -0.58 0.08 -1.01 -0.85 0.00 0.00 174.74 172.38 2jvm s HIS 77 N 2.95 1.85 0.19 1.40 3.76 -1.26 -5.16 115.29 119.02 2jvm s HIS 77 Ca 0.32 -1.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2jvm s HIS 77 Cb -0.14 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 2jvm s HIS 77 CO 0.13 -0.07 0.35 -1.01 -0.85 0.00 0.00 174.74 173.29 2jvm s HIS 78 N -3.08 3.48 -0.14 1.40 3.76 -1.26 -5.01 115.29 114.44 2jvm s HIS 78 Ca 0.19 0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.36 2jvm s HIS 78 Cb 0.03 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 2jvm s HIS 78 CO 0.11 0.43 0.19 -2.39 -0.85 0.00 0.00 174.74 172.23 2jvm n HIS 79 N -0.69 0.00 -0.87 1.40 1.44 -1.26 -5.30 115.22 109.94 2jvm n HIS 79 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2jvm n HIS 79 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2jvm n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11