#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4v s ILE 4 N 0.00 3.08 -0.36 3.15 1.09 -0.38 -4.59 121.20 123.19 2f4v s ILE 4 Ca 0.00 -1.36 -0.28 0.00 -1.10 0.00 0.00 60.65 57.91 2f4v s ILE 4 Cb 0.00 -2.77 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 2f4v s ILE 4 CO 0.00 -0.11 1.91 -0.60 -0.10 0.00 0.00 174.94 176.04 2f4v s ARG 5 N 1.27 3.14 -0.26 2.79 3.52 0.77 -3.37 118.95 126.81 2f4v s ARG 5 Ca -0.05 1.42 0.02 0.00 -0.13 0.00 0.00 55.73 56.99 2f4v s ARG 5 Cb -0.20 -4.27 0.05 0.00 -1.56 0.00 0.00 34.95 28.97 2f4v s ARG 5 CO -0.01 -2.10 -0.10 0.96 -0.81 0.00 0.00 175.30 173.25 2f4v s ILE 6 N 7.73 2.35 -0.19 4.11 -4.36 -1.26 -1.82 121.20 127.75 2f4v s ILE 6 Ca 0.83 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 2f4v s ILE 6 Cb -0.23 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.17 2f4v s ILE 6 CO 0.32 0.04 -0.13 -0.75 0.24 0.00 0.00 174.94 174.66 2f4v s LYS 7 N 1.16 3.18 -0.09 0.37 2.20 -1.25 -4.31 119.74 121.01 2f4v s LYS 7 Ca -0.06 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 2f4v s LYS 7 Cb -0.19 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2f4v s LYS 7 CO -0.05 -0.18 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.18 2f4v s LEU 8 N 1.31 3.11 -0.11 5.43 1.02 -0.52 -3.55 118.68 125.37 2f4v s LEU 8 Ca 0.04 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 2f4v s LEU 8 Cb -0.14 -1.69 0.05 0.00 0.02 0.00 0.00 46.19 44.44 2f4v s LEU 8 CO -0.07 0.31 0.16 0.00 0.02 0.00 0.00 176.35 176.76 2f4v s ARG 9 N -0.48 0.05 0.00 1.70 1.70 -0.24 -1.64 118.95 120.04 2f4v s ARG 9 Ca 0.07 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 2f4v s ARG 9 Cb -0.12 -0.61 0.00 0.00 -0.57 0.00 0.00 34.95 33.65 2f4v s ARG 9 CO 0.02 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 2f4v n GLY 10 N 5.32 3.67 0.12 3.88 0.00 -1.20 -2.08 105.19 114.90 2f4v n GLY 10 Ca -0.05 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.37 2f4v n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f4v n PHE 11 N 0.00 0.50 -2.50 1.61 0.99 -1.26 -1.94 117.46 114.86 2f4v n PHE 11 Ca 0.00 0.12 -0.39 0.00 -0.00 0.00 0.00 57.45 57.18 2f4v n PHE 11 Cb 0.00 -1.07 -0.04 0.00 -1.00 0.00 0.00 39.48 37.37 2f4v n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2f4v s ASP 12 N -6.51 7.14 0.00 4.37 2.15 -1.26 -4.63 116.67 117.93 2f4v s ASP 12 Ca -0.25 2.20 0.14 0.00 0.43 0.00 0.00 52.55 55.07 2f4v s ASP 12 Cb 0.08 -2.62 0.77 0.00 -0.30 0.00 0.00 42.92 40.85 2f4v s ASP 12 CO 0.71 -0.23 1.51 0.00 -0.17 0.00 0.00 175.17 176.99 2f4v n HIS 13 N 0.87 0.06 0.00 -5.34 1.44 -1.26 -3.85 115.22 107.14 2f4v n HIS 13 Ca 0.00 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2f4v n HIS 13 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2f4v n HIS 13 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2f4v n LYS 14 N -0.49 0.30 0.25 -1.40 4.81 -1.26 -3.96 118.16 116.41 2f4v n LYS 14 Ca 0.11 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.62 2f4v n LYS 14 Cb 0.10 -0.81 0.59 0.00 0.02 0.00 0.00 35.03 34.93 2f4v n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2f4v h THR 15 N 0.00 1.04 0.00 3.15 1.03 -1.96 0.18 112.91 116.35 2f4v h THR 15 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2f4v h THR 15 Cb 0.62 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2f4v h THR 15 CO 0.00 0.07 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.49 2f4v h LEU 16 N 0.00 0.00 -1.47 0.00 -0.00 -1.84 -2.13 115.31 109.87 2f4v h LEU 16 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2f4v h LEU 16 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2f4v h LEU 16 CO 0.01 0.42 0.40 -0.78 -0.00 0.00 0.00 178.44 178.49 2f4v h ASP 17 N -0.82 0.00 0.00 -0.43 1.82 -1.67 -1.80 116.42 113.53 2f4v h ASP 17 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2f4v h ASP 17 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 2f4v h ASP 17 CO 0.00 0.00 -1.40 0.00 -1.61 0.00 0.00 179.24 176.23 2f4v n ALA 18 N -1.75 2.15 0.26 -0.78 0.00 0.62 -4.16 120.51 116.84 2f4v n ALA 18 Ca -0.01 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2f4v n ALA 18 Cb 0.44 0.37 0.70 0.00 0.00 0.00 0.00 19.45 20.96 2f4v n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2f4v h SER 19 N -0.11 0.00 -0.53 0.00 4.64 -1.13 0.12 113.55 116.53 2f4v h SER 19 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2f4v h SER 19 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2f4v h SER 19 CO -0.06 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2f4v n ALA 20 N -2.33 3.01 0.50 5.18 0.00 -0.70 -4.37 120.51 121.80 2f4v n ALA 20 Ca -0.02 -1.69 0.06 0.00 0.00 0.00 0.00 53.44 51.78 2f4v n ALA 20 Cb 0.22 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 18.82 2f4v n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2f4v n GLN 21 N 0.70 1.12 -0.00 0.00 0.00 0.40 -4.12 117.38 115.49 2f4v n GLN 21 Ca 0.23 -1.02 0.06 0.00 -0.00 0.00 0.00 57.00 56.27 2f4v n GLN 21 Cb 0.85 -1.19 -0.08 0.00 0.00 0.00 0.00 30.24 29.82 2f4v n GLN 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2f4v n LYS 22 N 0.37 2.35 0.00 3.69 5.02 -1.20 -4.40 118.16 123.99 2f4v n LYS 22 Ca 0.06 -0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.39 2f4v n LYS 22 Cb 0.28 -1.15 0.24 0.00 -0.02 0.00 0.00 35.03 34.38 2f4v n LYS 22 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2f4v n ILE 23 N -1.41 1.15 0.12 -0.18 5.41 -1.26 -0.66 119.36 122.53 2f4v n ILE 23 Ca 0.02 0.29 -0.20 0.00 1.00 0.00 0.00 62.75 63.86 2f4v n ILE 23 Cb 0.23 -1.10 -0.15 0.00 -0.71 0.00 0.00 39.64 37.90 2f4v n ILE 23 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2f4v h VAL 24 N 0.00 1.39 0.00 1.39 2.07 -1.77 -3.38 116.25 115.95 2f4v h VAL 24 Ca 0.00 -2.90 -0.04 0.00 0.82 0.00 0.00 66.70 64.57 2f4v h VAL 24 Cb 0.17 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2f4v h VAL 24 CO 0.00 0.86 -0.21 -0.33 0.02 0.00 0.00 177.57 177.91 2f4v h GLU 25 N 0.10 0.00 -0.32 1.57 4.39 -1.13 -2.67 114.58 116.52 2f4v h GLU 25 Ca -0.19 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.53 2f4v h GLU 25 Cb 2.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.69 2f4v h GLU 25 CO 0.23 0.21 0.22 0.00 -1.16 0.00 0.00 179.01 178.50 2f4v h ALA 26 N 1.79 1.88 -0.19 3.43 0.00 -1.50 -3.26 119.26 121.41 2f4v h ALA 26 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f4v h ALA 26 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2f4v h ALA 26 CO 0.03 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2f4v n ALA 27 N -2.51 2.78 0.90 0.00 0.00 -1.01 -3.58 120.51 117.08 2f4v n ALA 27 Ca 0.03 -2.38 0.11 0.00 0.00 0.00 0.00 53.44 51.19 2f4v n ALA 27 Cb 0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 2f4v n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2f4v n ARG 28 N -0.76 0.07 0.03 0.00 0.63 -1.18 -3.75 116.66 111.69 2f4v n ARG 28 Ca 0.20 -0.01 0.11 0.00 -0.92 0.00 0.00 57.85 57.22 2f4v n ARG 28 Cb 0.81 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 32.19 2f4v n ARG 28 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2f4v n ARG 29 N -1.59 0.37 0.00 -0.14 1.74 -1.23 -4.73 116.66 111.07 2f4v n ARG 29 Ca 0.04 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2f4v n ARG 29 Cb 0.36 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2f4v n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2f4v n SER 30 N -2.06 0.13 0.00 0.55 3.41 -1.25 -5.05 113.62 109.36 2f4v n SER 30 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2f4v n SER 30 Cb 0.46 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2f4v n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f4v n GLY 31 N 0.29 5.20 0.00 5.00 0.00 -1.25 -3.97 105.19 110.47 2f4v n GLY 31 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2f4v n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4v n ALA 32 N -3.00 0.00 -2.10 4.61 0.00 -1.23 -4.91 120.51 113.88 2f4v n ALA 32 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2f4v n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2f4v n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2f4v n GLN 33 N 0.00 0.00 -1.02 0.00 6.02 -1.26 -4.58 117.38 116.54 2f4v n GLN 33 Ca 0.00 -1.09 0.13 0.00 -0.01 0.00 0.00 57.00 56.02 2f4v n GLN 33 Cb 0.00 -0.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.89 2f4v n GLN 33 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2f4v n VAL 34 N 0.10 -0.35 0.45 5.09 0.31 -1.26 -4.65 118.33 118.02 2f4v n VAL 34 Ca 0.00 0.52 0.10 0.00 -0.01 0.00 0.00 64.34 64.95 2f4v n VAL 34 Cb 0.77 -0.87 0.26 0.00 -0.91 0.00 0.00 33.84 33.10 2f4v n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2f4v n SER 35 N -3.73 2.86 -0.66 4.52 7.64 -0.91 -4.90 113.62 118.45 2f4v n SER 35 Ca -0.05 -1.94 0.01 0.00 1.01 0.00 0.00 58.87 57.90 2f4v n SER 35 Cb 0.48 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2f4v n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f4v n GLY 36 N 1.37 -3.31 3.52 0.23 0.00 -1.25 -4.73 105.19 101.03 2f4v n GLY 36 Ca 0.18 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.62 2f4v n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f4v n PRO 37 N -2.05 1.46 -3.08 1.61 -0.04 -1.26 -4.03 135.00 127.61 2f4v n PRO 37 Ca -0.00 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 2f4v n PRO 37 Cb 0.21 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 2f4v n PRO 37 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2f4v s ILE 38 N 8.13 4.88 0.00 0.52 1.01 -1.26 -4.83 121.20 129.66 2f4v s ILE 38 Ca 1.05 0.77 0.00 0.00 0.00 0.00 0.00 60.65 62.47 2f4v s ILE 38 Cb -0.58 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 37.83 2f4v s ILE 38 CO 0.41 -0.25 0.49 -0.81 0.00 0.00 0.00 174.94 174.78 2f4v n PRO 39 N 6.03 0.00 -0.15 2.79 -0.04 -1.26 -2.38 135.00 139.98 2f4v n PRO 39 Ca -0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2f4v n PRO 39 Cb 0.49 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2f4v n PRO 39 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2f4v n LEU 40 N -0.73 -2.28 -4.90 1.53 -0.00 -1.26 -3.96 117.00 105.40 2f4v n LEU 40 Ca 0.00 0.20 -0.29 0.00 -0.00 0.00 0.00 56.01 55.93 2f4v n LEU 40 Cb 0.00 0.60 0.07 0.00 -0.00 0.00 0.00 43.42 44.09 2f4v n LEU 40 CO 0.00 -0.05 0.74 -2.16 -0.00 0.00 0.00 177.39 175.93 2f4v s PRO 41 N -3.81 2.26 0.12 1.96 0.04 -1.26 -4.07 135.00 130.25 2f4v s PRO 41 Ca 0.00 0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.22 2f4v s PRO 41 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2f4v s PRO 41 CO 0.00 -1.36 0.04 0.99 0.04 0.00 0.00 177.00 176.71 2f4v s THR 42 N -3.45 4.15 -0.68 1.26 2.01 -1.26 -4.25 115.64 113.41 2f4v s THR 42 Ca 0.60 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2f4v s THR 42 Cb -0.11 -3.03 0.33 0.00 0.01 0.00 0.00 72.50 69.70 2f4v s THR 42 CO 0.49 0.04 1.13 -1.14 -0.69 0.00 0.00 174.62 174.44 2f4v n ARG 43 N 0.25 3.67 -1.71 4.92 0.63 -0.74 -4.96 116.66 118.72 2f4v n ARG 43 Ca -0.10 -4.81 -0.42 0.00 -0.92 0.00 0.00 57.85 51.60 2f4v n ARG 43 Cb 0.53 -2.29 -0.03 0.00 0.45 0.00 0.00 32.46 31.12 2f4v n ARG 43 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2f4v n VAL 44 N -0.11 0.00 -3.97 5.15 0.31 -1.26 -4.20 118.33 114.25 2f4v n VAL 44 Ca 0.34 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.33 2f4v n VAL 44 Cb 0.36 -1.95 -0.14 0.00 -0.91 0.00 0.00 33.84 31.20 2f4v n VAL 44 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2f4v s ARG 45 N 1.15 2.89 0.37 5.55 3.52 -1.25 -4.94 118.95 126.23 2f4v s ARG 45 Ca 0.75 -0.94 -0.24 0.00 -0.13 0.00 0.00 55.73 55.17 2f4v s ARG 45 Cb -0.52 -2.96 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 2f4v s ARG 45 CO 0.33 -0.37 0.98 1.03 -0.81 0.00 0.00 175.30 176.45 2f4v s ARG 46 N 1.33 4.37 0.03 5.12 1.81 -1.26 -2.38 118.95 127.98 2f4v s ARG 46 Ca 0.01 1.33 0.01 0.00 -1.72 0.00 0.00 55.73 55.36 2f4v s ARG 46 Cb -0.16 -2.57 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 2f4v s ARG 46 CO -0.05 0.08 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.54 2f4v s PHE 47 N -1.77 0.42 -0.43 -0.53 0.40 0.54 -4.92 117.98 111.69 2f4v s PHE 47 Ca 0.55 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 2f4v s PHE 47 Cb -0.17 -0.28 0.17 0.00 0.51 0.00 0.00 43.02 43.25 2f4v s PHE 47 CO 0.22 -0.16 0.48 0.95 0.70 0.00 0.00 175.22 177.40 2f4v s THR 48 N -1.62 -0.29 -0.34 0.64 -4.23 -1.26 -1.53 115.64 107.02 2f4v s THR 48 Ca -0.12 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2f4v s THR 48 Cb -0.09 -0.67 0.11 0.00 1.34 0.00 0.00 72.50 73.19 2f4v s THR 48 CO -0.01 -0.65 0.11 -0.69 -0.54 0.00 0.00 174.62 172.84 2f4v s VAL 49 N 0.74 1.22 -0.05 2.29 1.01 -0.90 -5.02 120.40 119.70 2f4v s VAL 49 Ca 0.27 -1.76 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 2f4v s VAL 49 Cb -0.03 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2f4v s VAL 49 CO -0.10 -0.70 0.07 -0.38 0.00 0.00 0.00 175.10 173.99 2f4v n ILE 50 N 4.54 -0.44 -0.23 2.22 -0.00 -1.06 -4.12 119.36 120.26 2f4v n ILE 50 Ca 0.01 0.02 0.03 0.00 -0.00 0.00 0.00 62.75 62.81 2f4v n ILE 50 Cb 0.41 -0.43 0.14 0.00 -0.00 0.00 0.00 39.64 39.75 2f4v n ILE 50 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 2f4v h ARG 51 N 0.47 0.17 0.00 0.38 3.08 -1.82 -3.42 114.38 113.25 2f4v h ARG 51 Ca -0.06 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.69 2f4v h ARG 51 Cb 0.17 -0.04 0.12 0.00 0.08 0.00 0.00 29.97 30.30 2f4v h ARG 51 CO 0.02 0.12 0.28 0.41 -1.07 0.00 0.00 179.97 179.72 2f4v n GLY 52 N -1.36 -1.29 3.95 0.04 0.00 -1.26 -5.02 105.19 100.25 2f4v n GLY 52 Ca 0.11 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 2f4v n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f4v s PRO 53 N -4.94 1.27 0.04 1.61 0.04 -1.26 -5.01 135.00 126.75 2f4v s PRO 53 Ca 0.51 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2f4v s PRO 53 Cb -0.01 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2f4v s PRO 53 CO 0.36 -1.87 0.00 0.34 0.04 0.00 0.00 177.00 175.86 2f4v n PHE 54 N -3.30 -2.52 -1.65 0.56 7.35 -1.26 -4.83 117.46 111.82 2f4v n PHE 54 Ca 0.14 1.51 0.00 0.00 -0.76 0.00 0.00 57.45 58.33 2f4v n PHE 54 Cb 0.60 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.06 2f4v n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2f4v n LYS 55 N 1.88 0.00 -2.02 -4.13 2.85 -1.26 -4.86 118.16 110.62 2f4v n LYS 55 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 2f4v n LYS 55 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 2f4v n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2f4v n HIS 56 N 0.00 -0.53 0.00 5.58 8.25 -1.26 -4.76 115.22 122.50 2f4v n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2f4v n HIS 56 Cb 0.00 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 27.66 2f4v n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2f4v n LYS 57 N -2.65 0.00 -0.21 -0.41 2.85 -1.26 -2.43 118.16 114.05 2f4v n LYS 57 Ca -0.21 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.12 2f4v n LYS 57 Cb 0.64 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 35.18 2f4v n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2f4v n ASP 58 N -0.66 2.92 0.01 -5.58 9.92 -1.26 -4.69 116.55 117.21 2f4v n ASP 58 Ca 0.00 -2.63 0.00 0.00 -0.53 0.00 0.00 54.79 51.63 2f4v n ASP 58 Cb 0.00 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 2f4v n ASP 58 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2f4v n SER 59 N -0.53 0.10 0.00 -2.24 3.41 -1.02 -5.07 113.62 108.27 2f4v n SER 59 Ca 0.14 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2f4v n SER 59 Cb 0.61 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2f4v n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2f4v n ARG 60 N -2.96 0.00 -1.16 4.33 5.12 -1.26 -4.72 116.66 116.01 2f4v n ARG 60 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2f4v n ARG 60 Cb 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 2f4v n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2f4v n GLU 61 N 0.00 -3.05 -3.97 5.56 2.13 -1.26 -2.58 120.64 117.47 2f4v n GLU 61 Ca 0.00 2.36 -0.21 0.00 0.66 0.00 0.00 57.16 59.97 2f4v n GLU 61 Cb 0.00 -2.94 -0.17 0.00 0.27 0.00 0.00 31.44 28.60 2f4v n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2f4v s HIS 62 N -4.96 0.69 -0.13 4.31 3.76 -1.26 -2.12 115.29 115.57 2f4v s HIS 62 Ca 0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2f4v s HIS 62 Cb 0.00 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 33.00 2f4v s HIS 62 CO 0.00 -0.25 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.42 2f4v s PHE 63 N 1.38 2.14 0.00 1.40 2.99 -0.58 -4.98 117.98 120.33 2f4v s PHE 63 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 56.93 55.79 2f4v s PHE 63 Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 43.02 41.34 2f4v s PHE 63 CO -0.03 -0.57 0.00 -0.85 -0.00 0.00 0.00 175.22 173.77 2f4v n GLU 64 N 4.41 2.48 -2.72 0.44 -0.00 -1.25 0.20 120.64 124.20 2f4v n GLU 64 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 56.92 2f4v n GLU 64 Cb 0.51 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.99 2f4v n GLU 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2f4v n LEU 65 N 0.00 -2.41 -4.66 -1.84 7.94 -1.00 -4.88 117.00 110.14 2f4v n LEU 65 Ca 0.00 -2.43 -0.43 0.00 -1.11 0.00 0.00 56.01 52.04 2f4v n LEU 65 Cb 0.00 0.70 -0.02 0.00 0.53 0.00 0.00 43.42 44.63 2f4v n LEU 65 CO 0.00 1.74 0.93 0.00 -1.11 0.00 0.00 177.39 178.95 2f4v s ARG 66 N 0.65 4.28 -0.42 1.96 1.70 -1.26 -3.94 118.95 121.91 2f4v s ARG 66 Ca 0.29 1.43 -0.13 0.00 -0.47 0.00 0.00 55.73 56.84 2f4v s ARG 66 Cb 0.15 -3.65 0.05 0.00 -0.57 0.00 0.00 34.95 30.93 2f4v s ARG 66 CO -0.14 -0.60 0.30 0.99 -1.08 0.00 0.00 175.30 174.78 2f4v s THR 67 N 3.06 4.90 0.16 4.99 2.01 -1.26 -4.51 115.64 124.99 2f4v s THR 67 Ca 0.47 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 2f4v s THR 67 Cb -0.17 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.42 2f4v s THR 67 CO 0.10 -0.42 0.69 -1.00 -0.69 0.00 0.00 174.62 173.29 2f4v s HIS 68 N 1.59 3.77 -0.04 4.92 3.76 -0.82 -1.79 115.29 126.67 2f4v s HIS 68 Ca 0.04 1.41 0.06 0.00 -0.15 0.00 0.00 55.06 56.41 2f4v s HIS 68 Cb -0.22 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2f4v s HIS 68 CO 0.07 0.46 -0.21 -0.80 -0.85 0.00 0.00 174.74 173.41 2f4v s ASN 69 N -1.36 3.43 0.13 1.40 0.01 -1.26 -3.21 114.94 114.08 2f4v s ASN 69 Ca 0.37 -0.37 -0.01 0.00 -0.71 0.00 0.00 52.86 52.14 2f4v s ASN 69 Cb -0.19 -0.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 2f4v s ASN 69 CO 0.22 0.31 0.04 -0.13 -1.51 0.00 0.00 177.10 176.03 2f4v s ARG 70 N -0.56 0.92 0.00 -0.60 0.52 -0.65 -4.14 118.95 114.44 2f4v s ARG 70 Ca 0.08 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 2f4v s ARG 70 Cb -0.11 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.53 2f4v s ARG 70 CO 0.00 -0.23 0.00 -0.11 0.02 0.00 0.00 175.30 174.99 2f4v n LEU 71 N -0.09 0.00 0.00 2.53 -0.00 -1.00 -1.44 117.00 116.99 2f4v n LEU 71 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2f4v n LEU 71 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 2f4v n LEU 71 CO 0.31 -0.06 0.00 0.52 -0.00 0.00 0.00 177.39 178.16 2f4v n VAL 72 N -1.18 0.00 -2.18 1.96 0.31 -1.26 -4.39 118.33 111.59 2f4v n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2f4v n VAL 72 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2f4v n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2f4v n ASP 73 N 3.95 -9.13 -4.68 4.52 2.03 -1.26 -3.34 116.55 108.63 2f4v n ASP 73 Ca 0.00 1.54 -0.36 0.00 0.52 0.00 0.00 54.79 56.50 2f4v n ASP 73 Cb 0.00 -5.16 -0.09 0.00 -0.72 0.00 0.00 41.12 35.15 2f4v n ASP 73 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2f4v s ILE 74 N -0.54 5.29 0.15 5.18 -4.36 -1.22 -2.13 121.20 123.56 2f4v s ILE 74 Ca 0.00 0.15 -0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2f4v s ILE 74 Cb 0.00 -3.43 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 2f4v s ILE 74 CO 0.00 0.40 0.32 -0.51 0.24 0.00 0.00 174.94 175.39 2f4v s ILE 75 N 0.67 5.28 -0.25 8.37 1.10 -1.26 0.13 121.20 135.24 2f4v s ILE 75 Ca 0.07 -0.42 -0.00 0.00 -0.51 0.00 0.00 60.65 59.79 2f4v s ILE 75 Cb -0.12 -3.70 0.00 0.00 0.15 0.00 0.00 42.46 38.79 2f4v s ILE 75 CO 0.01 -0.05 0.00 0.59 -2.11 0.00 0.00 174.94 173.38 2f4v n ASN 76 N -0.32 -6.84 -4.57 4.50 3.02 -1.26 -3.49 115.26 106.31 2f4v n ASN 76 Ca -0.05 1.18 -0.17 0.00 -0.03 0.00 0.00 54.58 55.51 2f4v n ASN 76 Cb 0.53 -4.57 -0.08 0.00 -0.61 0.00 0.00 39.78 35.05 2f4v n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2f4v s PRO 77 N -1.33 1.73 0.00 3.52 0.04 -1.26 -4.42 135.00 133.28 2f4v s PRO 77 Ca -0.00 -0.03 0.24 0.00 0.04 0.00 0.00 61.00 61.24 2f4v s PRO 77 Cb 0.00 -4.92 0.34 0.00 0.04 0.00 0.00 34.50 29.95 2f4v s PRO 77 CO 0.65 -4.50 1.35 0.09 0.04 0.00 0.00 177.00 174.62 2f4v n ASN 78 N 17.77 3.30 0.00 6.66 3.02 -1.26 -4.95 115.26 139.80 2f4v n ASN 78 Ca 0.44 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 2f4v n ASN 78 Cb 0.45 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2f4v n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2f4v n ARG 79 N 1.45 0.00 0.31 3.52 5.12 -1.26 -3.64 116.66 122.15 2f4v n ARG 79 Ca 0.17 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.28 2f4v n ARG 79 Cb 0.61 -0.23 1.05 0.00 -1.16 0.00 0.00 32.46 32.73 2f4v n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2f4v h LYS 80 N 0.00 0.00 0.00 5.56 1.63 -1.93 -3.15 116.57 118.68 2f4v h LYS 80 Ca 0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 2f4v h LYS 80 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2f4v h LYS 80 CO 0.00 0.00 -1.35 2.41 -3.45 0.00 0.00 179.45 177.06 2f4v n THR 81 N -3.41 1.51 0.09 1.00 -1.04 -1.24 -4.05 114.28 107.14 2f4v n THR 81 Ca -0.02 -0.04 0.17 0.00 -2.04 0.00 0.00 64.05 62.11 2f4v n THR 81 Cb 0.12 -2.08 0.45 0.00 -1.82 0.00 0.00 70.33 67.00 2f4v n THR 81 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2f4v h ILE 82 N -1.00 0.08 0.00 12.58 2.04 -1.86 3.14 117.51 132.49 2f4v h ILE 82 Ca -0.34 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.30 2f4v h ILE 82 Cb 1.22 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2f4v h ILE 82 CO -0.21 0.00 -1.03 -0.08 0.00 0.00 0.00 178.15 176.83 2f4v h GLU 83 N 0.00 0.01 0.00 2.37 4.57 -1.72 -3.37 114.58 116.43 2f4v h GLU 83 Ca 0.22 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2f4v h GLU 83 Cb 1.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 2f4v h GLU 83 CO -0.00 0.99 -0.11 1.04 -1.18 0.00 0.00 179.01 179.75 2f4v n GLN 84 N -3.34 0.03 -0.04 1.92 1.13 1.05 -4.38 117.38 113.75 2f4v n GLN 84 Ca -0.01 0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 54.99 2f4v n GLN 84 Cb 0.95 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 2f4v n GLN 84 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2f4v n LEU 85 N -1.59 0.71 -1.21 1.08 4.77 -1.17 -4.50 117.00 115.09 2f4v n LEU 85 Ca 0.07 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2f4v n LEU 85 Cb 0.35 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2f4v n LEU 85 CO 0.29 0.07 0.64 0.80 -1.33 0.00 0.00 177.39 177.87 2f4v n MET 86 N -3.44 0.92 0.00 3.23 1.56 -1.26 -3.51 117.12 114.62 2f4v n MET 86 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 2f4v n MET 86 Cb 0.56 -1.04 0.00 0.00 2.15 0.00 0.00 33.22 34.89 2f4v n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2f4v n THR 87 N 0.93 0.00 -3.15 1.12 -2.24 -1.26 -4.95 114.28 104.73 2f4v n THR 87 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2f4v n THR 87 Cb 0.46 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 2f4v n THR 87 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2f4v n LEU 88 N -0.81 5.09 -4.77 3.22 4.77 -1.23 -5.08 117.00 118.19 2f4v n LEU 88 Ca 0.00 -5.39 -0.38 0.00 -0.03 0.00 0.00 56.01 50.20 2f4v n LEU 88 Cb 0.00 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 2f4v n LEU 88 CO 0.00 1.97 0.79 -1.81 -1.33 0.00 0.00 177.39 177.01 2f4v s ASP 89 N -2.27 6.90 0.00 -1.43 1.01 -1.26 -5.06 116.67 114.56 2f4v s ASP 89 Ca 0.38 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.85 2f4v s ASP 89 Cb 0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.45 2f4v s ASP 89 CO 0.01 -0.40 0.00 0.18 0.21 0.00 0.00 175.17 175.17 2f4v n LEU 90 N 0.48 0.00 -4.53 1.23 4.77 -1.26 -5.14 117.00 112.54 2f4v n LEU 90 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 2f4v n LEU 90 Cb 0.47 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.79 2f4v n LEU 90 CO 0.50 0.00 0.56 -2.84 -1.33 0.00 0.00 177.39 174.28 2f4v s PRO 91 N 1.07 -1.06 0.00 3.23 0.02 -1.26 -4.90 135.00 132.10 2f4v s PRO 91 Ca 0.00 0.33 0.20 0.00 0.02 0.00 0.00 61.00 61.55 2f4v s PRO 91 Cb 0.00 -1.58 0.67 0.00 0.02 0.00 0.00 34.50 33.61 2f4v s PRO 91 CO 0.00 -3.69 1.50 0.25 -0.33 0.00 0.00 177.00 174.73 2f4v n THR 92 N -4.82 0.27 -2.43 0.99 -2.24 -1.26 -3.95 114.28 100.83 2f4v n THR 92 Ca 0.08 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 2f4v n THR 92 Cb 0.58 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 69.25 2f4v n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f4v n GLY 93 N 1.14 3.08 2.77 3.38 0.00 -1.26 -5.01 105.19 109.29 2f4v n GLY 93 Ca 0.16 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 2f4v n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f4v s VAL 94 N -3.12 -0.06 -0.10 1.61 1.01 -1.25 -4.13 120.40 114.35 2f4v s VAL 94 Ca 0.35 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.60 2f4v s VAL 94 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.64 2f4v s VAL 94 CO -0.05 0.10 -0.20 -0.70 0.00 0.00 0.00 175.10 174.25 2f4v s GLU 95 N 1.18 3.10 -0.08 2.72 2.12 -0.88 -4.88 118.70 121.98 2f4v s GLU 95 Ca -0.08 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.38 2f4v s GLU 95 Cb -0.13 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2f4v s GLU 95 CO -0.03 0.23 0.18 0.42 -0.54 0.00 0.00 175.26 175.51 2f4v s ILE 96 N 0.25 5.45 0.10 -3.70 1.09 -1.25 -1.08 121.20 122.07 2f4v s ILE 96 Ca -0.13 0.15 0.08 0.00 -1.10 0.00 0.00 60.65 59.65 2f4v s ILE 96 Cb -0.17 -3.46 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 2f4v s ILE 96 CO 0.07 0.53 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.68 2f4v s GLU 97 N -1.31 1.97 0.05 2.79 2.02 -1.23 -5.04 118.70 117.95 2f4v s GLU 97 Ca 0.19 -1.09 0.09 0.00 0.02 0.00 0.00 54.97 54.19 2f4v s GLU 97 Cb -0.12 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 2f4v s GLU 97 CO 0.09 0.50 -0.24 0.42 0.02 0.00 0.00 175.26 176.05 2f4v s ILE 98 N -1.16 2.31 0.24 -1.63 1.09 -1.26 -3.78 121.20 117.01 2f4v s ILE 98 Ca 0.19 -1.36 -0.08 0.00 -1.10 0.00 0.00 60.65 58.31 2f4v s ILE 98 Cb -0.11 -1.93 -0.02 0.00 -1.06 0.00 0.00 42.46 39.35 2f4v s ILE 98 CO 0.11 0.35 0.36 -0.75 -0.10 0.00 0.00 174.94 174.91 2f4v s LYS 99 N -1.33 1.47 0.00 2.79 2.36 -0.76 -5.05 119.74 119.22 2f4v s LYS 99 Ca 0.13 -1.43 0.00 0.00 -2.55 0.00 0.00 55.97 52.12 2f4v s LYS 99 Cb -0.10 0.40 0.00 0.00 -1.05 0.00 0.00 37.83 37.08 2f4v s LYS 99 CO 0.03 -0.57 0.00 2.41 1.55 0.00 0.00 175.35 178.77