#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp7 h VAL 2 N 0.00 0.00 0.00 1.12 -1.51 -2.05 -1.84 116.25 111.97 3kp7 h VAL 2 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3kp7 h VAL 2 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 3kp7 h VAL 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.88 3kp7 n ARG 3 N -5.62 0.07 0.02 5.19 1.74 -1.26 -2.48 116.66 114.31 3kp7 n ARG 3 Ca -0.16 0.55 -0.02 0.00 -0.77 0.00 0.00 57.85 57.45 3kp7 n ARG 3 Cb 0.50 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3kp7 n ARG 3 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3kp7 h ARG 4 N 0.00 -0.13 -0.01 5.56 9.65 -1.79 -2.58 114.38 125.08 3kp7 h ARG 4 Ca 0.00 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3kp7 h ARG 4 Cb 0.02 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3kp7 h ARG 4 CO 0.00 -0.09 -0.27 -0.84 2.80 0.00 0.00 179.97 181.57 3kp7 h ILE 5 N -0.87 1.20 0.00 1.20 -0.00 -1.41 -1.37 117.51 116.27 3kp7 h ILE 5 Ca -0.01 -0.96 -0.05 0.00 -0.00 0.00 0.00 64.86 63.84 3kp7 h ILE 5 Cb 0.10 1.50 -0.01 0.00 -0.00 0.00 0.00 36.82 38.42 3kp7 h ILE 5 CO 0.02 0.28 -0.23 -0.33 -0.00 0.00 0.00 178.15 177.89 3kp7 h GLU 6 N 0.02 0.00 0.05 0.16 5.08 -1.61 0.34 114.58 118.62 3kp7 h GLU 6 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3kp7 h GLU 6 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 3kp7 h GLU 6 CO 0.04 0.23 -1.12 0.22 -1.00 0.00 0.00 179.01 177.38 3kp7 h ASP 7 N 0.00 0.82 -0.49 1.42 3.58 -0.85 -1.61 116.42 119.28 3kp7 h ASP 7 Ca -0.00 -0.70 -0.01 0.00 0.42 0.00 0.00 57.03 56.74 3kp7 h ASP 7 Cb 0.41 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3kp7 h ASP 7 CO 0.03 1.51 0.28 0.45 -2.88 0.00 0.00 179.24 178.63 3kp7 h HIS 8 N 0.31 0.67 -0.09 0.28 3.86 -0.72 0.17 115.15 119.63 3kp7 h HIS 8 Ca -0.15 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3kp7 h HIS 8 Cb 1.78 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 30.03 3kp7 h HIS 8 CO 0.10 0.48 0.05 0.82 0.86 0.00 0.00 177.93 180.24 3kp7 h ILE 9 N 0.66 1.06 -0.97 2.45 1.08 -0.98 0.31 117.51 121.12 3kp7 h ILE 9 Ca 0.18 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3kp7 h ILE 9 Cb 0.02 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 3kp7 h ILE 9 CO -0.03 0.06 0.62 0.28 -0.69 0.00 0.00 178.15 178.39 3kp7 h SER 10 N 0.07 1.13 -0.36 1.72 0.02 -0.95 -0.75 113.55 114.43 3kp7 h SER 10 Ca 0.03 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3kp7 h SER 10 Cb 0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3kp7 h SER 10 CO -0.01 0.84 0.05 0.15 -1.14 0.00 0.00 176.83 176.72 3kp7 h PHE 11 N 1.32 0.63 -0.60 3.45 3.57 -0.33 -2.33 116.94 122.66 3kp7 h PHE 11 Ca 0.35 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 3kp7 h PHE 11 Cb -0.12 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 3kp7 h PHE 11 CO 0.00 0.65 0.10 1.25 -2.23 0.00 0.00 178.31 178.08 3kp7 h LEU 12 N 0.43 0.91 -1.05 0.59 5.85 -0.01 0.31 115.31 122.34 3kp7 h LEU 12 Ca 0.11 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3kp7 h LEU 12 Cb 0.36 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kp7 h LEU 12 CO 0.01 0.91 0.27 -0.33 -0.34 0.00 0.00 178.44 178.96 3kp7 h GLU 13 N 0.91 0.95 -0.14 1.25 5.08 -1.03 0.14 114.58 121.73 3kp7 h GLU 13 Ca 0.19 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3kp7 h GLU 13 Cb 0.39 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kp7 h GLU 13 CO 0.01 0.76 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.95 3kp7 h LYS 14 N 0.93 0.50 -0.47 2.33 3.64 -1.00 -2.14 116.57 120.36 3kp7 h LYS 14 Ca 0.22 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3kp7 h LYS 14 Cb 0.16 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3kp7 h LYS 14 CO -0.02 0.96 -0.05 0.35 -2.27 0.00 0.00 179.45 178.42 3kp7 h PHE 15 N 0.37 0.96 -0.70 1.91 3.57 -0.10 -1.15 116.94 121.81 3kp7 h PHE 15 Ca -0.01 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.25 3kp7 h PHE 15 Cb 1.17 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 3kp7 h PHE 15 CO 0.05 0.93 0.22 0.82 -2.23 0.00 0.00 178.31 178.09 3kp7 h ILE 16 N 0.72 1.26 -0.45 1.41 2.04 -0.72 -0.05 117.51 121.72 3kp7 h ILE 16 Ca 0.13 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 3kp7 h ILE 16 Cb 0.58 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3kp7 h ILE 16 CO 0.03 0.34 -0.15 0.78 0.00 0.00 0.00 178.15 179.16 3kp7 h ASN 17 N 1.02 0.85 0.35 1.72 -0.26 -1.12 -1.09 115.58 117.04 3kp7 h ASN 17 Ca 0.22 -0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 55.60 3kp7 h ASN 17 Cb 0.30 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3kp7 h ASN 17 CO -0.01 1.00 -0.38 0.44 -1.06 0.00 0.00 177.43 177.42 3kp7 h ASP 18 N 0.75 0.05 -0.15 5.81 3.32 -0.83 0.15 116.42 125.52 3kp7 h ASP 18 Ca 0.12 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3kp7 h ASP 18 Cb 0.66 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3kp7 h ASP 18 CO 0.05 0.43 -0.35 0.58 -1.72 0.00 0.00 179.24 178.23 3kp7 h VAL 19 N 0.05 1.36 -0.60 -1.35 2.07 -0.56 -2.37 116.25 114.84 3kp7 h VAL 19 Ca 0.00 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3kp7 h VAL 19 Cb 0.70 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3kp7 h VAL 19 CO 0.05 0.49 0.34 0.78 0.02 0.00 0.00 177.57 179.24 3kp7 h ASN 20 N 0.13 0.75 -0.50 0.57 2.35 -0.92 0.03 115.58 118.00 3kp7 h ASN 20 Ca 0.00 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3kp7 h ASN 20 Cb 0.95 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 3kp7 h ASN 20 CO 0.08 0.62 0.13 0.74 -1.65 0.00 0.00 177.43 177.35 3kp7 h THR 21 N 0.82 1.23 0.02 2.81 2.02 -0.73 -0.96 112.91 118.11 3kp7 h THR 21 Ca 0.21 -0.83 -0.26 0.00 0.77 0.00 0.00 66.41 66.31 3kp7 h THR 21 Cb 0.03 0.67 0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3kp7 h THR 21 CO -0.04 0.31 -1.04 0.25 0.37 0.00 0.00 175.52 175.37 3kp7 h LEU 22 N 0.81 0.79 -0.10 2.58 5.85 -1.19 -2.88 115.31 121.18 3kp7 h LEU 22 Ca 0.18 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3kp7 h LEU 22 Cb 0.30 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3kp7 h LEU 22 CO -0.00 1.45 0.04 0.74 -0.34 0.00 0.00 178.44 180.33 3kp7 h THR 23 N 0.33 1.15 -0.47 1.05 2.02 -0.77 -1.76 112.91 114.47 3kp7 h THR 23 Ca -0.12 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.68 3kp7 h THR 23 Cb 1.69 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 69.30 3kp7 h THR 23 CO 0.20 0.13 0.16 0.00 0.37 0.00 0.00 175.52 176.38 3kp7 h ALA 24 N 0.88 0.56 -0.61 6.16 0.00 -1.24 -1.58 119.26 123.43 3kp7 h ALA 24 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kp7 h ALA 24 Cb 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kp7 h ALA 24 CO -0.00 -0.23 0.39 0.87 0.00 0.00 0.00 179.25 180.27 3kp7 h LYS 25 N 0.33 0.81 0.00 0.00 1.57 -1.37 -1.32 116.57 116.58 3kp7 h LYS 25 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kp7 h LYS 25 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kp7 h LYS 25 CO -0.23 0.56 0.00 -0.07 -0.57 0.00 0.00 179.45 179.14 3kp7 h LEU 26 N 0.82 0.00 -1.78 2.94 3.38 -0.63 -3.19 115.31 116.84 3kp7 h LEU 26 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kp7 h LEU 26 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kp7 h LEU 26 CO -0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.67 3kp7 n LEU 27 N -2.39 1.88 -0.07 1.67 4.77 -0.66 -4.70 117.00 117.51 3kp7 n LEU 27 Ca 0.02 -1.31 -0.07 0.00 -0.03 0.00 0.00 56.01 54.62 3kp7 n LEU 27 Cb 0.26 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3kp7 n LEU 27 CO 0.22 0.42 0.85 0.50 -1.33 0.00 0.00 177.39 178.05 3kp7 h LYS 28 N 1.31 0.07 -0.70 3.23 3.64 -1.24 -2.33 116.57 120.55 3kp7 h LYS 28 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3kp7 h LYS 28 Cb 0.40 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3kp7 h LYS 28 CO 0.00 0.04 0.20 -0.44 -2.27 0.00 0.00 179.45 176.99 3kp7 h ASP 29 N 0.07 1.04 0.02 4.20 3.32 -1.84 -0.36 116.42 122.87 3kp7 h ASP 29 Ca 0.13 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kp7 h ASP 29 Cb 0.17 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kp7 h ASP 29 CO -0.22 0.99 -0.01 0.25 -1.72 0.00 0.00 179.24 178.53 3kp7 h LEU 30 N 1.05 -0.03 -1.13 1.55 5.85 -1.84 0.42 115.31 121.18 3kp7 h LEU 30 Ca 0.22 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kp7 h LEU 30 Cb 0.33 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3kp7 h LEU 30 CO -0.00 0.15 0.31 1.56 -0.34 0.00 0.00 178.44 180.12 3kp7 h GLN 31 N -0.21 0.92 0.13 1.25 4.20 -1.34 -0.48 115.11 119.58 3kp7 h GLN 31 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3kp7 h GLN 31 Cb 0.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kp7 h GLN 31 CO 0.01 0.72 -0.06 1.15 -0.67 0.00 0.00 178.83 179.97 3kp7 h THR 32 N 0.92 0.88 0.00 -0.54 2.02 -0.74 0.17 112.91 115.62 3kp7 h THR 32 Ca 0.23 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3kp7 h THR 32 Cb 0.10 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3kp7 h THR 32 CO -0.03 0.00 0.00 1.05 0.37 0.00 0.00 175.52 176.92 3kp7 h GLU 33 N -0.18 0.00 -0.22 6.66 4.11 0.50 -1.88 114.58 123.56 3kp7 h GLU 33 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3kp7 h GLU 33 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kp7 h GLU 33 CO 0.03 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.77 3kp7 n TYR 34 N -2.56 0.27 -2.24 2.06 4.02 -0.25 -4.97 117.16 113.50 3kp7 n TYR 34 Ca 0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.90 57.57 3kp7 n TYR 34 Cb 0.24 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 3kp7 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp7 n GLY 35 N 1.18 -0.12 3.42 2.72 0.00 -0.07 -5.00 105.19 107.32 3kp7 n GLY 35 Ca 0.15 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 3kp7 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp7 s ILE 36 N -2.82 2.33 0.63 -0.61 -4.36 0.41 -5.02 121.20 111.77 3kp7 s ILE 36 Ca 0.00 -2.06 -0.03 0.00 -0.26 0.00 0.00 60.65 58.30 3kp7 s ILE 36 Cb 0.00 -2.12 0.05 0.00 1.25 0.00 0.00 42.46 41.63 3kp7 s ILE 36 CO 0.00 -0.15 0.91 -0.94 0.24 0.00 0.00 174.94 174.99 3kp7 s SER 37 N -2.74 5.06 0.17 4.36 1.04 -1.26 -4.27 113.70 116.06 3kp7 s SER 37 Ca 0.21 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.78 3kp7 s SER 37 Cb -0.08 -1.05 0.13 0.00 0.10 0.00 0.00 66.02 65.12 3kp7 s SER 37 CO 0.10 -1.37 1.77 0.00 0.98 0.00 0.00 173.24 174.72 3kp7 h ALA 38 N -0.29 0.58 -0.67 5.32 0.00 -1.97 -0.72 119.26 121.51 3kp7 h ALA 38 Ca -0.44 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.58 3kp7 h ALA 38 Cb 1.30 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3kp7 h ALA 38 CO 0.57 -0.17 0.36 0.93 0.00 0.00 0.00 179.25 180.94 3kp7 h GLU 39 N 0.40 0.64 -0.01 0.00 3.07 -2.00 -0.43 114.58 116.25 3kp7 h GLU 39 Ca 0.21 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 3kp7 h GLU 39 Cb 0.17 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3kp7 h GLU 39 CO -0.18 0.42 -0.47 1.96 -1.40 0.00 0.00 179.01 179.34 3kp7 h GLN 40 N 0.66 0.03 -0.53 2.33 4.20 -1.78 -2.75 115.11 117.27 3kp7 h GLN 40 Ca 0.31 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 3kp7 h GLN 40 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3kp7 h GLN 40 CO -0.20 0.50 -0.06 1.03 -0.67 0.00 0.00 178.83 179.43 3kp7 h SER 41 N 0.03 0.95 0.15 1.46 0.87 0.06 -1.82 113.55 115.25 3kp7 h SER 41 Ca -0.00 -0.28 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 3kp7 h SER 41 Cb 0.85 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3kp7 h SER 41 CO 0.06 1.04 -0.31 -0.74 -0.53 0.00 0.00 176.83 176.35 3kp7 h HIS 42 N 0.87 0.28 -0.41 2.24 -0.00 -0.85 -0.91 115.15 116.37 3kp7 h HIS 42 Ca 0.15 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.34 3kp7 h HIS 42 Cb 0.59 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 3kp7 h HIS 42 CO 0.04 0.54 -0.20 0.28 -0.00 0.00 0.00 177.93 178.58 3kp7 h VAL 43 N 0.22 1.28 -0.62 5.26 2.07 -1.21 -2.17 116.25 121.08 3kp7 h VAL 43 Ca 0.03 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3kp7 h VAL 43 Cb 0.66 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3kp7 h VAL 43 CO 0.05 0.45 0.16 -0.07 0.02 0.00 0.00 177.57 178.18 3kp7 h LEU 44 N 0.68 0.91 -1.65 2.57 3.38 -0.73 -2.15 115.31 118.33 3kp7 h LEU 44 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kp7 h LEU 44 Cb 0.77 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kp7 h LEU 44 CO 0.06 0.87 -0.01 -1.13 0.09 0.00 0.00 178.44 178.33 3kp7 h ASN 45 N 0.93 0.19 -0.04 -0.43 -1.24 -0.91 -0.95 115.58 113.13 3kp7 h ASN 45 Ca 0.20 -0.02 -0.18 0.00 0.71 0.00 0.00 56.30 57.01 3kp7 h ASN 45 Cb 0.32 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 3kp7 h ASN 45 CO -0.00 0.24 -0.60 0.24 -1.29 0.00 0.00 177.43 176.02 3kp7 h MET 46 N 0.21 0.65 0.00 6.67 2.86 -0.78 -2.82 114.93 121.72 3kp7 h MET 46 Ca 0.05 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3kp7 h MET 46 Cb 0.16 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kp7 h MET 46 CO 0.00 1.06 0.00 1.28 1.06 0.00 0.00 176.91 180.31 3kp7 n LEU 47 N -3.95 0.00 0.17 1.22 4.77 -0.86 -2.77 117.00 115.57 3kp7 n LEU 47 Ca -0.04 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 3kp7 n LEU 47 Cb 0.64 -0.45 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 3kp7 n LEU 47 CO 0.49 -0.01 0.89 0.77 -1.33 0.00 0.00 177.39 178.19 3kp7 h SER 48 N 0.00 0.00 0.00 -1.43 4.64 -0.92 -3.32 113.55 112.52 3kp7 h SER 48 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 3kp7 h SER 48 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 3kp7 h SER 48 CO 0.00 0.00 -2.48 2.30 -0.87 0.00 0.00 176.83 175.78 3kp7 n ILE 49 N -2.56 1.47 -3.80 0.95 -5.35 -1.12 -5.03 119.36 103.93 3kp7 n ILE 49 Ca 0.03 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 61.92 3kp7 n ILE 49 Cb 0.35 -1.64 -0.11 0.00 -1.74 0.00 0.00 39.64 36.50 3kp7 n ILE 49 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3kp7 s GLU 50 N -2.50 0.34 0.20 6.28 -1.05 -1.17 -5.13 118.70 115.68 3kp7 s GLU 50 Ca -0.36 0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.31 3kp7 s GLU 50 Cb 0.12 0.16 -0.10 0.00 -0.44 0.00 0.00 34.13 33.87 3kp7 s GLU 50 CO 0.53 -0.06 1.48 0.00 0.95 0.00 0.00 175.26 178.16 3kp7 s ALA 51 N -0.25 3.68 0.19 -0.84 0.00 -1.26 -4.27 121.76 119.02 3kp7 s ALA 51 Ca -0.04 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.29 3kp7 s ALA 51 Cb -0.03 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3kp7 s ALA 51 CO 0.01 -0.74 -0.05 -0.51 0.00 0.00 0.00 175.76 174.46 3kp7 s LEU 52 N 0.38 2.36 0.28 0.00 1.43 -1.01 -4.96 118.68 117.16 3kp7 s LEU 52 Ca 0.64 -1.12 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3kp7 s LEU 52 Cb -0.42 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 3kp7 s LEU 52 CO 0.37 -0.41 0.00 -0.89 0.23 0.00 0.00 176.35 175.65 3kp7 s THR 53 N -3.35 3.29 0.51 5.49 2.01 -1.26 -2.65 115.64 119.67 3kp7 s THR 53 Ca 0.23 -1.92 0.31 0.00 0.31 0.00 0.00 61.69 60.62 3kp7 s THR 53 Cb 0.04 -2.83 0.49 0.00 0.01 0.00 0.00 72.50 70.21 3kp7 s THR 53 CO 0.05 -0.34 1.82 0.58 -0.69 0.00 0.00 174.62 176.04 3kp7 h VAL 54 N 1.86 0.48 0.27 3.82 2.07 -1.98 0.43 116.25 123.19 3kp7 h VAL 54 Ca -0.44 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kp7 h VAL 54 Cb 1.25 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3kp7 h VAL 54 CO 0.61 0.02 -0.13 1.23 0.02 0.00 0.00 177.57 179.32 3kp7 h GLY 55 N 0.10 -0.37 0.95 2.17 0.00 -1.96 -1.51 103.07 102.43 3kp7 h GLY 55 Ca 0.53 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 3kp7 h GLY 55 CO -0.07 -0.14 -0.14 1.46 0.00 0.00 0.00 176.54 177.65 3kp7 h GLN 56 N -0.54 -0.36 -0.79 4.80 7.50 -1.34 -2.63 115.11 121.74 3kp7 h GLN 56 Ca -0.04 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.28 3kp7 h GLN 56 Cb 0.40 0.08 -0.09 0.00 0.05 0.00 0.00 27.48 27.92 3kp7 h GLN 56 CO 0.06 -0.24 0.35 0.82 -1.50 0.00 0.00 178.83 178.32 3kp7 h ILE 57 N -0.38 0.69 -0.69 2.54 2.04 -1.32 -1.05 117.51 119.34 3kp7 h ILE 57 Ca -0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kp7 h ILE 57 Cb 0.31 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3kp7 h ILE 57 CO 0.03 0.09 0.44 0.74 0.00 0.00 0.00 178.15 179.46 3kp7 h THR 58 N 0.51 1.19 0.19 -0.27 2.02 -0.98 0.17 112.91 115.74 3kp7 h THR 58 Ca 0.43 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3kp7 h THR 58 Cb 0.63 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3kp7 h THR 58 CO -0.38 0.19 -0.09 -0.33 0.37 0.00 0.00 175.52 175.27 3kp7 h GLU 59 N 0.94 -0.25 -0.51 6.66 5.08 -0.86 -0.56 114.58 125.09 3kp7 h GLU 59 Ca 0.25 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3kp7 h GLU 59 Cb -0.08 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3kp7 h GLU 59 CO -0.05 -0.16 -0.01 0.87 -1.00 0.00 0.00 179.01 178.66 3kp7 h LYS 60 N -0.26 0.90 0.00 2.33 1.57 -1.26 -3.36 116.57 116.49 3kp7 h LYS 60 Ca -0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3kp7 h LYS 60 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3kp7 h LYS 60 CO 0.04 0.94 0.00 1.04 -0.57 0.00 0.00 179.45 180.90 3kp7 n GLN 61 N -4.30 0.00 -3.61 3.15 1.13 0.59 -5.08 117.38 109.26 3kp7 n GLN 61 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3kp7 n GLN 61 Cb 0.33 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.23 3kp7 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kp7 n GLY 62 N 0.60 -0.57 3.57 1.08 0.00 -0.23 -5.05 105.19 104.60 3kp7 n GLY 62 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 3kp7 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp7 s VAL 63 N -3.00 3.05 -0.48 1.61 -7.23 -1.26 -4.62 120.40 108.47 3kp7 s VAL 63 Ca 0.00 -0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.16 3kp7 s VAL 63 Cb 0.00 -3.78 0.25 0.00 0.56 0.00 0.00 36.38 33.41 3kp7 s VAL 63 CO 0.00 -0.09 0.89 0.59 -0.31 0.00 0.00 175.10 176.17 3kp7 n ASN 64 N 19.23 -2.50 0.10 4.85 3.02 -1.26 -4.96 115.26 133.74 3kp7 n ASN 64 Ca 0.43 -3.31 -0.01 0.00 -0.03 0.00 0.00 54.58 51.66 3kp7 n ASN 64 Cb 0.46 1.60 0.27 0.00 -0.61 0.00 0.00 39.78 41.49 3kp7 n ASN 64 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3kp7 h LYS 65 N 3.84 0.25 0.03 3.52 1.63 -1.96 -2.37 116.57 121.53 3kp7 h LYS 65 Ca -0.12 -0.10 -0.36 0.00 -0.85 0.00 0.00 60.65 59.22 3kp7 h LYS 65 Cb 1.03 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.60 3kp7 h LYS 65 CO 0.32 0.56 -2.05 0.00 -3.45 0.00 0.00 179.45 174.82 3kp7 n ALA 66 N -2.48 1.06 0.04 5.00 0.00 -1.26 -3.19 120.51 119.68 3kp7 n ALA 66 Ca -0.01 -0.81 0.21 0.00 0.00 0.00 0.00 53.44 52.83 3kp7 n ALA 66 Cb 0.42 -0.31 0.73 0.00 0.00 0.00 0.00 19.45 20.29 3kp7 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kp7 h ALA 67 N -0.37 2.31 0.15 0.00 0.00 -1.93 0.42 119.26 119.84 3kp7 h ALA 67 Ca -0.51 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 3kp7 h ALA 67 Cb 1.70 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.55 3kp7 h ALA 67 CO -0.16 -0.66 -0.95 0.28 0.00 0.00 0.00 179.25 177.76 3kp7 h VAL 68 N 0.00 1.43 -0.82 0.00 2.07 -1.58 -2.28 116.25 115.07 3kp7 h VAL 68 Ca 0.23 -2.54 0.06 0.00 0.82 0.00 0.00 66.70 65.27 3kp7 h VAL 68 Cb 1.05 3.13 -0.06 0.00 -1.52 0.00 0.00 31.29 33.89 3kp7 h VAL 68 CO -0.00 0.72 0.50 0.28 0.02 0.00 0.00 177.57 179.09 3kp7 h SER 69 N -0.32 0.78 0.57 0.57 0.02 -0.59 -1.00 113.55 113.59 3kp7 h SER 69 Ca -0.17 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3kp7 h SER 69 Cb 1.71 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 64.11 3kp7 h SER 69 CO 0.15 0.50 -0.28 0.03 -1.14 0.00 0.00 176.83 176.09 3kp7 h ARG 70 N 0.91 -0.74 -0.79 3.45 3.08 -0.43 -1.58 114.38 118.28 3kp7 h ARG 70 Ca 0.36 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.62 3kp7 h ARG 70 Cb 0.18 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3kp7 h ARG 70 CO -0.18 -0.43 0.53 0.00 -1.07 0.00 0.00 179.97 178.82 3kp7 h ARG 71 N -1.04 0.39 -0.12 0.04 3.08 -1.14 0.49 114.38 116.10 3kp7 h ARG 71 Ca -0.08 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 3kp7 h ARG 71 Cb 0.65 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.62 3kp7 h ARG 71 CO 0.13 0.26 -0.54 0.28 -1.07 0.00 0.00 179.97 179.03 3kp7 h VAL 72 N 0.40 1.35 -0.47 2.04 2.07 -1.18 -2.25 116.25 118.22 3kp7 h VAL 72 Ca 0.39 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 3kp7 h VAL 72 Cb 0.93 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3kp7 h VAL 72 CO -0.13 0.56 0.10 0.11 0.02 0.00 0.00 177.57 178.23 3kp7 h LYS 73 N 0.20 0.71 -0.35 1.57 1.57 -0.06 0.92 116.57 121.14 3kp7 h LYS 73 Ca -0.03 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3kp7 h LYS 73 Cb 1.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3kp7 h LYS 73 CO 0.11 0.65 -0.08 0.87 -0.57 0.00 0.00 179.45 180.43 3kp7 h LYS 74 N 0.68 0.58 -0.07 3.15 1.57 -0.94 0.66 116.57 122.21 3kp7 h LYS 74 Ca 0.15 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3kp7 h LYS 74 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kp7 h LYS 74 CO -0.00 0.67 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.79 3kp7 h LEU 75 N 0.54 0.37 -0.26 2.94 3.38 -0.76 -2.13 115.31 119.39 3kp7 h LEU 75 Ca 0.10 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3kp7 h LEU 75 Cb 0.47 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kp7 h LEU 75 CO 0.03 0.94 -0.23 -0.07 0.09 0.00 0.00 178.44 179.20 3kp7 h LEU 76 N 0.22 0.66 -1.86 1.67 3.38 -0.29 -0.77 115.31 118.33 3kp7 h LEU 76 Ca -0.02 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 3kp7 h LEU 76 Cb 1.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3kp7 h LEU 76 CO 0.11 0.98 -0.13 -1.13 0.09 0.00 0.00 178.44 178.37 3kp7 h ASN 77 N 0.35 0.00 0.07 -0.43 -0.73 -0.83 0.20 115.58 114.21 3kp7 h ASN 77 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3kp7 h ASN 77 Cb 0.78 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.37 3kp7 h ASN 77 CO 0.06 0.13 -0.08 0.00 -0.37 0.00 0.00 177.43 177.17 3kp7 n ALA 78 N -2.42 2.73 -2.64 1.57 0.00 -0.81 -4.93 120.51 114.02 3kp7 n ALA 78 Ca -0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.79 3kp7 n ALA 78 Cb 0.21 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.51 3kp7 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp7 n GLU 79 N -0.10 -2.93 0.02 0.00 1.02 0.72 -4.87 120.64 114.49 3kp7 n GLU 79 Ca 0.17 0.91 0.11 0.00 -0.02 0.00 0.00 57.16 58.33 3kp7 n GLU 79 Cb 0.35 -5.56 0.05 0.00 -0.02 0.00 0.00 31.44 26.26 3kp7 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp7 n LEU 80 N -3.25 0.65 -4.26 -4.62 4.77 -0.39 -4.53 117.00 105.37 3kp7 n LEU 80 Ca -0.18 -0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.57 3kp7 n LEU 80 Cb 0.65 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3kp7 n LEU 80 CO 0.35 0.09 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.54 3kp7 s VAL 81 N -3.12 0.45 0.22 4.08 1.01 -1.22 -2.59 120.40 119.23 3kp7 s VAL 81 Ca 0.06 -1.99 -0.15 0.00 0.00 0.00 0.00 61.98 59.90 3kp7 s VAL 81 Cb 0.15 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3kp7 s VAL 81 CO 0.79 -0.15 0.51 -1.59 0.00 0.00 0.00 175.10 174.66 3kp7 s LYS 82 N -4.03 1.47 0.25 2.72 -2.85 0.15 -4.46 119.74 112.98 3kp7 s LYS 82 Ca 0.34 -1.05 0.10 0.00 -1.00 0.00 0.00 55.97 54.36 3kp7 s LYS 82 Cb 0.07 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 3kp7 s LYS 82 CO 0.10 -0.62 -0.10 -0.51 0.10 0.00 0.00 175.35 174.32 3kp7 s LEU 83 N -2.94 2.91 0.00 2.77 1.43 -1.24 -1.23 118.68 120.38 3kp7 s LEU 83 Ca 0.15 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3kp7 s LEU 83 Cb -0.01 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3kp7 s LEU 83 CO 0.03 0.04 0.00 -0.62 0.23 0.00 0.00 176.35 176.03 3kp7 n GLU 84 N -0.53 2.10 0.00 1.70 -0.58 -1.15 -4.99 120.64 117.19 3kp7 n GLU 84 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3kp7 n GLU 84 Cb 0.58 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 3kp7 n GLU 84 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kp7 n LEU 94 N -1.57 0.00 -4.45 -4.62 4.77 -1.26 -4.53 117.00 105.33 3kp7 n LEU 94 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 3kp7 n LEU 94 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3kp7 n LEU 94 CO 0.00 0.00 -0.49 -0.54 -1.33 0.00 0.00 177.39 175.03 3kp7 s LYS 95 N 0.00 1.63 -1.02 3.23 1.02 -1.26 -5.09 119.74 118.25 3kp7 s LYS 95 Ca 0.00 -1.71 -0.20 0.00 0.02 0.00 0.00 55.97 54.08 3kp7 s LYS 95 Cb 0.00 -1.75 0.09 0.00 -0.52 0.00 0.00 37.83 35.65 3kp7 s LYS 95 CO 0.00 0.34 1.35 0.42 -0.92 0.00 0.00 175.35 176.53 3kp7 s ILE 96 N -2.36 4.34 -0.75 2.17 1.01 -1.26 -4.40 121.20 119.94 3kp7 s ILE 96 Ca 0.28 -1.32 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 3kp7 s ILE 96 Cb -0.05 -4.95 0.13 0.00 0.01 0.00 0.00 42.46 37.60 3kp7 s ILE 96 CO 0.14 -1.76 0.87 -0.63 0.00 0.00 0.00 174.94 173.56 3kp7 s ILE 97 N 3.76 4.92 0.39 2.92 -1.09 -1.08 -2.95 121.20 128.07 3kp7 s ILE 97 Ca 0.41 -1.43 0.08 0.00 -2.23 0.00 0.00 60.65 57.48 3kp7 s ILE 97 Cb -0.02 -4.59 -0.05 0.00 -1.58 0.00 0.00 42.46 36.22 3kp7 s ILE 97 CO -0.07 -1.25 0.16 -0.75 -1.23 0.00 0.00 174.94 171.79 3kp7 s LYS 98 N 2.27 2.23 0.38 2.79 2.20 -0.36 -2.41 119.74 126.83 3kp7 s LYS 98 Ca 0.20 -1.79 -0.22 0.00 -0.36 0.00 0.00 55.97 53.80 3kp7 s LYS 98 Cb -0.15 -2.01 -0.10 0.00 -1.51 0.00 0.00 37.83 34.06 3kp7 s LYS 98 CO -0.01 -0.05 0.92 -0.51 -0.36 0.00 0.00 175.35 175.34 3kp7 s LEU 99 N -3.87 4.10 0.74 5.43 1.43 -1.26 0.30 118.68 125.55 3kp7 s LEU 99 Ca 0.40 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3kp7 s LEU 99 Cb 0.02 -4.28 0.13 0.00 0.03 0.00 0.00 46.19 42.09 3kp7 s LEU 99 CO 0.22 -0.23 1.03 -0.94 0.23 0.00 0.00 176.35 176.66 3kp7 s SER 100 N -1.97 4.24 0.41 2.29 1.04 -1.07 -4.60 113.70 114.04 3kp7 s SER 100 Ca 0.57 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.84 3kp7 s SER 100 Cb -0.13 -0.14 0.86 0.00 0.10 0.00 0.00 66.02 66.71 3kp7 s SER 100 CO 0.17 -1.94 2.06 0.78 0.98 0.00 0.00 173.24 175.29 3kp7 h ASN 101 N -0.65 0.47 0.78 7.02 2.35 -1.89 -2.37 115.58 121.28 3kp7 h ASN 101 Ca -0.38 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.20 3kp7 h ASN 101 Cb 1.27 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3kp7 h ASN 101 CO 0.41 0.34 -0.76 0.50 -1.65 0.00 0.00 177.43 176.28 3kp7 h LYS 102 N 0.55 0.00 0.00 0.81 3.64 -1.87 -1.55 116.57 118.15 3kp7 h LYS 102 Ca 0.15 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3kp7 h LYS 102 Cb -0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3kp7 h LYS 102 CO -0.03 0.76 -0.24 0.78 -2.27 0.00 0.00 179.45 178.44 3kp7 h GLY 103 N 2.32 0.00 0.94 5.01 0.00 -1.45 -2.63 103.07 107.27 3kp7 h GLY 103 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3kp7 h GLY 103 CO 0.10 0.00 -0.61 0.50 0.00 0.00 0.00 176.54 176.53 3kp7 h LYS 104 N 0.00 0.57 -0.76 4.80 1.57 -1.05 -1.13 116.57 120.58 3kp7 h LYS 104 Ca -0.00 -0.49 0.04 0.00 -1.87 0.00 0.00 60.65 58.33 3kp7 h LYS 104 Cb 0.85 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 3kp7 h LYS 104 CO 0.03 1.12 0.47 0.87 -0.57 0.00 0.00 179.45 181.37 3kp7 h LYS 105 N 0.19 0.87 0.18 3.15 1.57 -1.17 0.11 116.57 121.46 3kp7 h LYS 105 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3kp7 h LYS 105 Cb 1.26 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3kp7 h LYS 105 CO 0.12 0.57 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.56 3kp7 h TYR 106 N 0.89 -0.26 -0.99 -1.35 3.20 -1.35 -1.05 116.97 116.06 3kp7 h TYR 106 Ca 0.32 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.20 3kp7 h TYR 106 Cb 0.08 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3kp7 h TYR 106 CO -0.04 -0.16 0.65 0.82 -1.64 0.00 0.00 178.16 177.79 3kp7 h ILE 107 N -0.27 1.23 -0.77 1.81 1.08 -0.71 0.41 117.51 120.29 3kp7 h ILE 107 Ca -0.02 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 63.95 3kp7 h ILE 107 Cb 0.22 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 33.73 3kp7 h ILE 107 CO 0.03 0.24 0.29 0.11 -0.69 0.00 0.00 178.15 178.12 3kp7 h LYS 108 N 1.31 1.16 0.00 2.37 1.79 -0.55 0.74 116.57 123.40 3kp7 h LYS 108 Ca 0.37 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3kp7 h LYS 108 Cb -0.10 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.36 3kp7 h LYS 108 CO -0.09 0.95 -0.18 0.93 -1.08 0.00 0.00 179.45 179.98 3kp7 h GLU 109 N 1.13 0.00 -0.00 3.15 5.08 -0.66 -1.91 114.58 121.36 3kp7 h GLU 109 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kp7 h GLU 109 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kp7 h GLU 109 CO -0.02 0.18 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.08 3kp7 h ARG 110 N 0.00 0.00 -0.13 2.33 2.43 -0.16 -2.90 114.38 115.95 3kp7 h ARG 110 Ca -0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3kp7 h ARG 110 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3kp7 h ARG 110 CO 0.02 0.76 -0.08 0.87 -1.51 0.00 0.00 179.97 180.03 3kp7 h LYS 111 N -0.75 -0.08 -0.44 0.20 1.57 -0.87 -2.21 116.57 113.99 3kp7 h LYS 111 Ca -0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3kp7 h LYS 111 Cb 0.76 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3kp7 h LYS 111 CO 0.00 -0.05 0.30 0.00 -0.57 0.00 0.00 179.45 179.13 3kp7 h ALA 112 N 1.03 2.11 -0.07 3.86 0.00 -1.45 0.19 119.26 124.93 3kp7 h ALA 112 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 3kp7 h ALA 112 Cb 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kp7 h ALA 112 CO -0.18 -0.21 -0.90 0.82 0.00 0.00 0.00 179.25 178.78 3kp7 h ILE 113 N 0.23 1.30 0.31 0.00 2.04 -1.19 -3.14 117.51 117.06 3kp7 h ILE 113 Ca 0.20 -2.15 -0.02 0.00 1.00 0.00 0.00 64.86 63.90 3kp7 h ILE 113 Cb 0.50 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3kp7 h ILE 113 CO -0.04 0.67 -0.15 0.24 0.00 0.00 0.00 178.15 178.87 3kp7 h MET 114 N 0.43 -0.40 -1.07 2.37 2.86 -0.81 -3.24 114.93 115.07 3kp7 h MET 114 Ca -0.08 0.03 0.35 0.00 -2.06 0.00 0.00 59.70 57.94 3kp7 h MET 114 Cb 1.53 0.09 -0.14 0.00 0.06 0.00 0.00 31.60 33.14 3kp7 h MET 114 CO 0.18 -0.13 0.63 1.03 1.06 0.00 0.00 176.91 179.67 3kp7 h SER 115 N -1.02 0.43 -0.00 1.22 0.87 -0.82 0.55 113.55 114.77 3kp7 h SER 115 Ca -0.04 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3kp7 h SER 115 Cb 0.46 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3kp7 h SER 115 CO 0.07 -0.17 -0.00 -0.74 -0.53 0.00 0.00 176.83 175.46 3kp7 h HIS 116 N 0.24 0.01 0.00 2.24 6.17 -1.61 -1.09 115.15 121.10 3kp7 h HIS 116 Ca 0.76 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.78 3kp7 h HIS 116 Cb 1.93 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.85 3kp7 h HIS 116 CO -0.01 0.35 -0.28 -0.84 0.71 0.00 0.00 177.93 177.86 3kp7 h ILE 117 N -0.34 0.52 -0.22 6.26 -0.00 -1.23 -2.77 117.51 119.72 3kp7 h ILE 117 Ca 0.00 -1.58 -0.07 0.00 -0.00 0.00 0.00 64.86 63.20 3kp7 h ILE 117 Cb 0.35 2.14 -0.00 0.00 -0.00 0.00 0.00 36.82 39.30 3kp7 h ILE 117 CO 0.00 0.28 -0.15 0.00 -0.00 0.00 0.00 178.15 178.28 3kp7 h ALA 118 N 1.72 0.31 0.48 0.16 0.00 -0.94 -2.10 119.26 118.88 3kp7 h ALA 118 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kp7 h ALA 118 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3kp7 h ALA 118 CO 0.04 0.20 -0.36 1.03 0.00 0.00 0.00 179.25 180.16 3kp7 h SER 119 N 0.18 -0.93 -0.14 0.00 0.87 -1.17 -1.34 113.55 111.02 3kp7 h SER 119 Ca 0.04 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 3kp7 h SER 119 Cb 0.67 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3kp7 h SER 119 CO 0.04 -0.53 0.16 0.44 -0.53 0.00 0.00 176.83 176.41 3kp7 h ASP 120 N -0.82 0.00 1.25 6.23 3.32 -1.52 -1.24 116.42 123.63 3kp7 h ASP 120 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3kp7 h ASP 120 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kp7 h ASP 120 CO 0.01 0.00 -0.34 -0.03 -1.72 0.00 0.00 179.24 177.16 3kp7 h MET 121 N 0.00 0.00 0.00 3.56 4.05 -0.61 -3.36 114.93 118.57 3kp7 h MET 121 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3kp7 h MET 121 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 3kp7 h MET 121 CO -0.00 0.00 -0.00 0.25 0.23 0.00 0.00 176.91 177.38 3kp7 n THR 122 N -2.34 0.61 -0.11 -0.77 -2.24 -0.59 -4.81 114.28 104.03 3kp7 n THR 122 Ca 0.04 -0.61 0.26 0.00 -2.27 0.00 0.00 64.05 61.47 3kp7 n THR 122 Cb 0.46 0.69 0.72 0.00 -2.10 0.00 0.00 70.33 70.09 3kp7 n THR 122 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kp7 h SER 123 N 0.00 0.00 0.29 3.42 4.64 -1.41 -0.42 113.55 120.08 3kp7 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kp7 h SER 123 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3kp7 h SER 123 CO 0.00 0.00 -0.50 -0.90 -0.87 0.00 0.00 176.83 174.56 3kp7 n ASP 124 N -4.17 0.88 -4.76 4.97 5.75 -1.26 -4.97 116.55 112.98 3kp7 n ASP 124 Ca 0.15 -0.68 -0.37 0.00 -0.01 0.00 0.00 54.79 53.88 3kp7 n ASP 124 Cb 0.87 0.35 0.02 0.00 -1.03 0.00 0.00 41.12 41.32 3kp7 n ASP 124 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kp7 s PHE 125 N -2.80 2.59 -0.27 2.11 0.40 -0.17 -4.96 117.98 114.89 3kp7 s PHE 125 Ca 0.15 1.47 -0.23 0.00 -0.60 0.00 0.00 56.93 57.73 3kp7 s PHE 125 Cb 0.18 -3.55 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 3kp7 s PHE 125 CO 0.66 -2.11 0.74 0.34 0.70 0.00 0.00 175.22 175.55 3kp7 s ASP 126 N -1.25 6.68 0.61 1.36 -1.08 -1.26 -4.93 116.67 116.81 3kp7 s ASP 126 Ca 0.69 0.79 0.31 0.00 -0.52 0.00 0.00 52.55 53.82 3kp7 s ASP 126 Cb -0.33 -2.39 1.78 0.00 -1.46 0.00 0.00 42.92 40.52 3kp7 s ASP 126 CO 0.39 -0.50 2.12 0.77 0.52 0.00 0.00 175.17 178.47 3kp7 h SER 127 N 7.90 0.00 0.15 -0.34 4.64 -1.97 -0.58 113.55 123.36 3kp7 h SER 127 Ca -0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.88 3kp7 h SER 127 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kp7 h SER 127 CO 0.84 0.00 -0.72 0.11 -0.87 0.00 0.00 176.83 176.19 3kp7 h LYS 128 N 0.00 0.50 -0.12 4.77 1.57 -1.99 -1.65 116.57 119.64 3kp7 h LYS 128 Ca 0.06 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.32 3kp7 h LYS 128 Cb 0.44 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kp7 h LYS 128 CO -0.00 1.02 -0.43 0.93 -0.57 0.00 0.00 179.45 180.40 3kp7 h GLU 129 N 0.34 0.51 -0.77 3.15 5.08 -1.54 -2.86 114.58 118.49 3kp7 h GLU 129 Ca -0.03 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3kp7 h GLU 129 Cb 1.30 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 3kp7 h GLU 129 CO 0.13 1.00 0.50 0.82 -1.00 0.00 0.00 179.01 180.47 3kp7 h ILE 130 N 0.12 1.17 -0.87 3.13 1.08 -1.40 -1.85 117.51 118.89 3kp7 h ILE 130 Ca -0.02 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3kp7 h ILE 130 Cb 1.05 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 3kp7 h ILE 130 CO 0.09 0.18 0.56 -0.08 -0.69 0.00 0.00 178.15 178.22 3kp7 h GLU 131 N 1.01 1.15 -0.39 2.37 4.81 -1.29 0.34 114.58 122.59 3kp7 h GLU 131 Ca 0.29 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3kp7 h GLU 131 Cb -0.07 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.04 3kp7 h GLU 131 CO -0.08 0.77 -0.24 0.87 -0.73 0.00 0.00 179.01 179.60 3kp7 h LYS 132 N 1.18 0.85 -0.42 1.92 1.79 -1.15 -2.35 116.57 118.39 3kp7 h LYS 132 Ca 0.32 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3kp7 h LYS 132 Cb -0.12 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3kp7 h LYS 132 CO -0.07 1.04 0.16 0.28 -1.08 0.00 0.00 179.45 179.78 3kp7 h VAL 133 N 0.66 1.20 -0.55 0.50 2.07 -0.63 -2.40 116.25 117.10 3kp7 h VAL 133 Ca 0.08 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3kp7 h VAL 133 Cb 0.81 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3kp7 h VAL 133 CO 0.07 0.23 0.36 -0.09 0.02 0.00 0.00 177.57 178.17 3kp7 h ARG 134 N 0.54 0.64 -0.31 1.57 9.65 -0.29 -1.54 114.38 124.64 3kp7 h ARG 134 Ca 0.14 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.82 3kp7 h ARG 134 Cb 0.21 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3kp7 h ARG 134 CO -0.01 0.43 -0.44 1.96 2.80 0.00 0.00 179.97 184.71 3kp7 h GLN 135 N 0.66 0.80 -0.38 0.20 4.20 -1.03 0.58 115.11 120.14 3kp7 h GLN 135 Ca 0.22 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 3kp7 h GLN 135 Cb 0.05 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3kp7 h GLN 135 CO -0.05 1.07 0.12 0.28 -0.67 0.00 0.00 178.83 179.58 3kp7 h VAL 136 N 0.64 1.21 -0.01 -0.54 2.07 -0.91 -1.20 116.25 117.52 3kp7 h VAL 136 Ca 0.04 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3kp7 h VAL 136 Cb 1.01 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3kp7 h VAL 136 CO 0.10 0.24 -0.39 -0.07 0.02 0.00 0.00 177.57 177.47 3kp7 h LEU 137 N 0.46 0.02 -0.34 2.57 3.38 -1.13 -2.09 115.31 118.17 3kp7 h LEU 137 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kp7 h LEU 137 Cb 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kp7 h LEU 137 CO -0.00 0.40 0.09 -0.33 0.09 0.00 0.00 178.44 178.69 3kp7 h GLU 138 N 0.01 0.53 -0.72 1.13 5.08 -0.25 0.15 114.58 120.52 3kp7 h GLU 138 Ca -0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3kp7 h GLU 138 Cb 0.69 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3kp7 h GLU 138 CO 0.05 0.58 0.38 0.82 -1.00 0.00 0.00 179.01 179.84 3kp7 h ILE 139 N 0.39 1.22 -0.25 3.13 2.04 -0.78 0.13 117.51 123.39 3kp7 h ILE 139 Ca 0.11 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 3kp7 h ILE 139 Cb 0.28 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3kp7 h ILE 139 CO -0.00 0.25 -0.47 0.40 0.00 0.00 0.00 178.15 178.32 3kp7 h ILE 140 N 1.00 1.30 -0.53 -0.67 2.04 -1.04 -0.34 117.51 119.26 3kp7 h ILE 140 Ca 0.25 -1.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 3kp7 h ILE 140 Cb 0.05 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3kp7 h ILE 140 CO -0.04 0.53 0.15 -0.78 0.00 0.00 0.00 178.15 178.01 3kp7 h ASP 141 N 0.53 0.79 -0.95 1.72 3.58 -0.11 0.12 116.42 122.11 3kp7 h ASP 141 Ca 0.03 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 3kp7 h ASP 141 Cb 1.02 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.82 3kp7 h ASP 141 CO 0.10 0.80 0.58 0.22 -2.88 0.00 0.00 179.24 178.06 3kp7 h TYR 142 N 0.74 1.24 0.00 0.28 3.20 -0.38 -1.28 116.97 120.77 3kp7 h TYR 142 Ca 0.17 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 3kp7 h TYR 142 Cb 0.31 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3kp7 h TYR 142 CO 0.02 0.82 -0.67 0.00 -1.64 0.00 0.00 178.16 176.68 3kp7 h ARG 143 N 1.31 0.00 -0.13 1.82 3.08 -0.11 -1.70 114.38 118.64 3kp7 h ARG 143 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.36 3kp7 h ARG 143 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3kp7 h ARG 143 CO -0.07 0.67 -0.03 0.82 -1.07 0.00 0.00 179.97 180.30 3kp7 h ILE 144 N 0.00 1.29 -0.64 2.04 2.04 -0.34 -0.40 117.51 121.49 3kp7 h ILE 144 Ca -0.01 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 3kp7 h ILE 144 Cb 1.20 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 3kp7 h ILE 144 CO 0.09 0.28 0.08 1.56 0.00 0.00 0.00 178.15 180.16 3kp7 h GLN 145 N -0.05 1.07 -0.50 2.37 4.20 -1.23 1.00 115.11 121.96 3kp7 h GLN 145 Ca 0.03 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 3kp7 h GLN 145 Cb 0.46 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3kp7 h GLN 145 CO 0.01 0.99 0.08 1.03 -0.67 0.00 0.00 178.83 180.28 3kp7 h SER 146 N 1.00 0.80 -0.13 1.46 0.87 -1.28 -2.15 113.55 114.12 3kp7 h SER 146 Ca 0.19 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 3kp7 h SER 146 Cb 0.46 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3kp7 h SER 146 CO 0.02 0.86 -0.50 0.22 -0.53 0.00 0.00 176.83 176.90 3kp7 h TYR 147 N 0.71 0.86 -0.72 2.24 3.20 -0.79 -2.66 116.97 119.82 3kp7 h TYR 147 Ca 0.15 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 61.77 3kp7 h TYR 147 Cb 0.40 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3kp7 h TYR 147 CO 0.03 1.05 0.47 1.15 -1.64 0.00 0.00 178.16 179.23 3kp7 h THR 148 N 0.55 1.11 0.26 1.81 2.02 -0.64 -2.76 112.91 115.25 3kp7 h THR 148 Ca 0.02 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3kp7 h THR 148 Cb 1.06 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3kp7 h THR 148 CO 0.10 0.16 -0.12 0.28 0.37 0.00 0.00 175.52 176.31 3kp7 h SER 149 N 0.88 -0.29 -0.01 4.18 0.02 -1.05 -3.33 113.55 113.95 3kp7 h SER 149 Ca 0.29 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3kp7 h SER 149 Cb 0.05 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kp7 h SER 149 CO -0.08 -0.06 -0.06 0.11 -1.14 0.00 0.00 176.83 175.59 3kp7 h LYS 150 N -0.52 -0.07 0.00 3.45 6.56 -1.23 -3.52 116.57 121.24 3kp7 h LYS 150 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3kp7 h LYS 150 Cb 0.39 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 3kp7 h LYS 150 CO 0.06 -0.05 0.00 1.28 -2.06 0.00 0.00 179.45 178.68