#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7c s ASN 7 N 0.00 6.00 0.42 4.04 2.20 -1.26 -4.83 114.94 121.52 3k7c s ASN 7 Ca 0.00 0.04 0.23 0.00 -0.94 0.00 0.00 52.86 52.19 3k7c s ASN 7 Cb 0.00 -1.71 0.70 0.00 -2.00 0.00 0.00 41.25 38.24 3k7c s ASN 7 CO 0.00 0.05 1.73 1.55 -2.94 0.00 0.00 177.10 177.48 3k7c h PRO 8 N 2.14 0.00 0.47 3.55 0.13 -1.99 -2.76 132.00 133.54 3k7c h PRO 8 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3k7c h PRO 8 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3k7c h PRO 8 CO 0.66 0.21 -0.22 0.93 -0.23 0.00 0.00 178.00 179.34 3k7c h GLU 9 N 0.00 -0.61 -0.68 0.86 3.07 -1.99 -0.52 114.58 114.71 3k7c h GLU 9 Ca -0.00 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 3k7c h GLU 9 Cb 0.89 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.89 3k7c h GLU 9 CO 0.03 -0.38 0.38 -0.44 -1.40 0.00 0.00 179.01 177.20 3k7c h ASP 10 N -0.68 0.57 -0.26 1.42 3.32 -1.99 -1.89 116.42 116.91 3k7c h ASP 10 Ca -0.06 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3k7c h ASP 10 Cb 0.51 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3k7c h ASP 10 CO 0.11 0.37 0.12 -0.07 -1.72 0.00 0.00 179.24 178.05 3k7c h LEU 11 N 0.71 0.17 -0.75 1.55 4.07 -1.40 -0.16 115.31 119.50 3k7c h LEU 11 Ca 0.30 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.34 3k7c h LEU 11 Cb 0.17 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 3k7c h LEU 11 CO -0.18 0.13 0.43 0.00 -1.08 0.00 0.00 178.44 177.74 3k7c h ALA 12 N 1.14 1.02 -0.14 1.53 0.00 -0.68 -0.36 119.26 121.78 3k7c h ALA 12 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k7c h ALA 12 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k7c h ALA 12 CO -0.09 0.11 -0.03 0.87 0.00 0.00 0.00 179.25 180.11 3k7c h LYS 13 N 0.77 0.26 -0.34 0.00 1.57 -0.90 -1.31 116.57 116.62 3k7c h LYS 13 Ca 0.34 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 3k7c h LYS 13 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3k7c h LYS 13 CO -0.20 0.54 -0.36 -0.91 -0.57 0.00 0.00 179.45 177.95 3k7c h ASN 14 N -0.04 0.81 -0.08 0.86 2.35 -0.93 0.18 115.58 118.73 3k7c h ASN 14 Ca 0.03 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 3k7c h ASN 14 Cb 0.44 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3k7c h ASN 14 CO 0.01 1.09 0.02 0.15 -1.65 0.00 0.00 177.43 177.06 3k7c h PHE 15 N 0.64 0.04 -0.61 1.19 3.57 -1.08 -0.15 116.94 120.55 3k7c h PHE 15 Ca 0.06 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3k7c h PHE 15 Cb 0.90 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 3k7c h PHE 15 CO 0.05 0.02 0.37 1.15 -2.23 0.00 0.00 178.31 177.67 3k7c h THR 16 N 0.06 1.06 -0.16 4.41 2.02 -0.94 -0.66 112.91 118.72 3k7c h THR 16 Ca 0.03 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3k7c h THR 16 Cb 0.02 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 3k7c h THR 16 CO -0.04 0.13 -0.06 0.50 0.37 0.00 0.00 175.52 176.42 3k7c h LYS 17 N 0.72 -0.03 -0.43 6.66 3.11 -0.38 -2.25 116.57 123.97 3k7c h LYS 17 Ca 0.25 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.04 3k7c h LYS 17 Cb 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 3k7c h LYS 17 CO -0.11 -0.02 0.05 -0.44 -2.81 0.00 0.00 179.45 176.12 3k7c h ASP 18 N -0.04 0.62 -0.46 4.20 3.32 -0.82 -2.10 116.42 121.15 3k7c h ASP 18 Ca 0.08 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3k7c h ASP 18 Cb 0.16 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k7c h ASP 18 CO -0.19 0.66 0.17 0.25 -1.72 0.00 0.00 179.24 178.42 3k7c h LEU 19 N 0.64 0.65 0.00 1.55 5.85 -0.66 -2.87 115.31 120.47 3k7c h LEU 19 Ca 0.14 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3k7c h LEU 19 Cb 0.33 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3k7c h LEU 19 CO 0.01 0.65 -0.23 1.88 -0.34 0.00 0.00 178.44 180.41 3k7c h TYR 20 N 0.61 0.00 -0.01 1.25 -1.99 -1.35 -3.25 116.97 112.23 3k7c h TYR 20 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3k7c h TYR 20 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3k7c h TYR 20 CO 0.01 0.00 -0.03 -1.13 -0.00 0.00 0.00 178.16 177.01 3k7c n SER 21 N -2.57 1.23 0.00 3.88 3.41 -0.80 -3.95 113.62 114.83 3k7c n SER 21 Ca 0.04 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 3k7c n SER 21 Cb 0.48 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3k7c n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k7c n GLY 22 N 1.17 0.69 3.23 5.00 0.00 -1.13 -4.99 105.19 109.17 3k7c n GLY 22 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3k7c n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k7c n ASP 23 N 0.00 5.40 -0.17 1.61 -0.08 -1.10 -4.81 116.55 117.40 3k7c n ASP 23 Ca 0.00 -3.08 0.17 0.00 -1.51 0.00 0.00 54.79 50.37 3k7c n ASP 23 Cb 0.00 -1.47 0.53 0.00 2.34 0.00 0.00 41.12 42.51 3k7c n ASP 23 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3k7c h THR 24 N 4.07 0.76 -0.28 5.18 2.02 -1.94 -1.37 112.91 121.34 3k7c h THR 24 Ca 0.30 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 3k7c h THR 24 Cb 0.78 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3k7c h THR 24 CO 1.31 0.07 -0.03 0.50 0.37 0.00 0.00 175.52 177.73 3k7c h LYS 25 N 0.37 0.52 0.02 6.66 3.64 -1.97 -3.19 116.57 122.62 3k7c h LYS 25 Ca 0.38 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3k7c h LYS 25 Cb 0.95 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3k7c h LYS 25 CO -0.12 0.70 -0.01 0.77 -2.27 0.00 0.00 179.45 178.53 3k7c h SER 26 N 0.30 -0.02 0.00 4.20 0.02 -1.83 -2.92 113.55 113.30 3k7c h SER 26 Ca 0.08 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3k7c h SER 26 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3k7c h SER 26 CO 0.02 0.13 0.00 0.52 -1.14 0.00 0.00 176.83 176.36 3k7c n VAL 27 N -5.03 0.00 0.00 2.27 0.31 -0.57 -3.43 118.33 111.88 3k7c n VAL 27 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3k7c n VAL 27 Cb 0.10 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3k7c n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3k7c n SER 29 N 0.38 0.00 0.02 4.52 3.41 -1.10 -3.87 113.62 116.98 3k7c n SER 29 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3k7c n SER 29 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3k7c n SER 29 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k7c n TYR 30 N 0.00 0.23 -3.45 7.33 4.02 -1.22 -5.01 117.16 119.05 3k7c n TYR 30 Ca 0.00 0.07 -0.38 0.00 -0.01 0.00 0.00 57.90 57.58 3k7c n TYR 30 Cb 0.00 -0.40 -0.06 0.00 -0.02 0.00 0.00 39.34 38.86 3k7c n TYR 30 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3k7c s ILE 31 N -3.11 5.11 -0.75 -0.72 1.01 -1.25 -1.17 121.20 120.31 3k7c s ILE 31 Ca 0.07 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 3k7c s ILE 31 Cb 0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3k7c s ILE 31 CO 0.75 0.49 1.72 -0.62 0.00 0.00 0.00 174.94 177.28 3k7c s ASP 32 N -0.43 5.54 0.00 3.58 2.15 -0.29 -4.79 116.67 122.43 3k7c s ASP 32 Ca 0.23 -0.26 0.22 0.00 0.43 0.00 0.00 52.55 53.18 3k7c s ASP 32 Cb -0.16 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.44 3k7c s ASP 32 CO 0.11 -2.27 1.45 0.18 -0.17 0.00 0.00 175.17 174.47 3k7c n LEU 33 N 11.98 2.78 0.27 -1.34 4.77 -1.26 -4.57 117.00 129.64 3k7c n LEU 33 Ca 0.23 -1.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.17 3k7c n LEU 33 Cb 0.50 -0.18 0.78 0.00 -2.33 0.00 0.00 43.42 42.19 3k7c n LEU 33 CO 0.68 0.59 1.05 0.77 -1.33 0.00 0.00 177.39 179.14 3k7c h SER 34 N 3.67 0.00 -0.05 -1.43 4.64 -2.01 -1.90 113.55 116.48 3k7c h SER 34 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3k7c h SER 34 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3k7c h SER 34 CO 0.00 0.06 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.25 3k7c h GLU 35 N 0.00 0.59 -6.46 4.77 3.07 -2.01 -3.42 114.58 111.12 3k7c h GLU 35 Ca -0.00 -0.32 -0.57 0.00 -0.50 0.00 0.00 59.36 57.97 3k7c h GLU 35 Cb 0.14 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 3k7c h GLU 35 CO 0.01 0.91 1.11 0.00 -1.40 0.00 0.00 179.01 179.64 3k7c s ALA 36 N -4.19 3.04 -0.03 3.43 0.00 -0.71 -4.93 121.76 118.37 3k7c s ALA 36 Ca -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 3k7c s ALA 36 Cb 0.12 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 3k7c s ALA 36 CO 0.83 -2.38 0.24 0.87 0.00 0.00 0.00 175.76 175.32 3k7c h LYS 37 N 11.05 -0.11 -7.17 0.00 1.79 -1.84 -3.43 116.57 116.86 3k7c h LYS 37 Ca -0.29 0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 57.71 3k7c h LYS 37 Cb 1.12 0.02 0.06 0.00 -1.58 0.00 0.00 32.23 31.85 3k7c h LYS 37 CO 1.07 -0.07 0.21 -1.54 -1.08 0.00 0.00 179.45 178.04 3k7c s SER 38 N -3.82 5.56 0.40 0.86 1.04 -1.26 -4.89 113.70 111.59 3k7c s SER 38 Ca -0.02 0.77 0.08 0.00 0.48 0.00 0.00 55.95 57.27 3k7c s SER 38 Cb 0.00 -1.73 0.84 0.00 0.10 0.00 0.00 66.02 65.23 3k7c s SER 38 CO 0.05 -1.11 2.00 0.44 0.98 0.00 0.00 173.24 175.60 3k7c h ASP 39 N -0.25 0.37 -0.17 7.02 3.32 -1.99 -1.66 116.42 123.06 3k7c h ASP 39 Ca -0.45 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.61 3k7c h ASP 39 Cb 1.26 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 3k7c h ASP 39 CO 0.61 0.36 -0.29 -0.08 -1.72 0.00 0.00 179.24 178.12 3k7c h GLU 40 N 0.42 -0.32 -0.25 3.56 4.81 -1.99 0.22 114.58 121.03 3k7c h GLU 40 Ca 0.10 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3k7c h GLU 40 Cb 0.11 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3k7c h GLU 40 CO -0.01 -0.22 0.05 0.93 -0.73 0.00 0.00 179.01 179.04 3k7c h GLU 41 N -0.34 0.42 -0.45 1.92 5.08 -1.76 -0.55 114.58 118.89 3k7c h GLU 41 Ca 0.11 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3k7c h GLU 41 Cb 0.51 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3k7c h GLU 41 CO -0.36 0.53 0.10 0.87 -1.00 0.00 0.00 179.01 179.14 3k7c h LYS 42 N 0.24 0.23 0.06 2.33 1.57 -1.28 -0.03 116.57 119.69 3k7c h LYS 42 Ca 0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k7c h LYS 42 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3k7c h LYS 42 CO 0.00 0.15 -0.03 1.15 -0.57 0.00 0.00 179.45 180.15 3k7c h THR 43 N 0.23 1.08 -0.52 -0.16 2.02 -0.68 0.75 112.91 115.63 3k7c h THR 43 Ca 0.22 -0.46 0.10 0.00 0.77 0.00 0.00 66.41 67.04 3k7c h THR 43 Cb 0.28 1.38 -0.10 0.00 -1.74 0.00 0.00 68.15 67.97 3k7c h THR 43 CO -0.28 0.12 -0.14 0.15 0.37 0.00 0.00 175.52 175.73 3k7c h PHE 44 N -0.29 -0.31 -0.07 3.16 3.57 -1.00 0.15 116.94 122.16 3k7c h PHE 44 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3k7c h PHE 44 Cb 0.25 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 3k7c h PHE 44 CO -0.01 -0.23 0.04 0.28 -2.23 0.00 0.00 178.31 176.16 3k7c h VAL 45 N -0.01 1.01 -0.57 1.41 2.07 -0.70 -2.31 116.25 117.15 3k7c h VAL 45 Ca 0.25 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.66 3k7c h VAL 45 Cb 0.39 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3k7c h VAL 45 CO -0.54 0.02 0.05 -1.28 0.02 0.00 0.00 177.57 175.83 3k7c h SER 46 N 0.09 0.95 0.58 0.57 0.87 -0.31 -1.61 113.55 114.69 3k7c h SER 46 Ca 0.03 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3k7c h SER 46 Cb -0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3k7c h SER 46 CO -0.01 0.99 -0.46 -0.78 -0.53 0.00 0.00 176.83 176.04 3k7c h ASP 47 N 0.87 -1.22 -0.63 6.23 1.82 -0.69 0.62 116.42 123.42 3k7c h ASP 47 Ca 0.17 0.09 0.13 0.00 -0.39 0.00 0.00 57.03 57.02 3k7c h ASP 47 Cb 0.48 0.39 -0.10 0.00 0.68 0.00 0.00 39.33 40.78 3k7c h ASP 47 CO 0.02 -0.66 0.09 0.11 -1.61 0.00 0.00 179.24 177.19 3k7c h LYS 48 N -1.02 0.20 -0.56 0.28 1.57 -1.28 -1.00 116.57 114.77 3k7c h LYS 48 Ca -0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3k7c h LYS 48 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3k7c h LYS 48 CO 0.00 0.13 0.34 0.82 -0.57 0.00 0.00 179.45 180.18 3k7c h ILE 49 N 0.21 1.17 -0.90 1.86 2.04 -1.19 -0.76 117.51 119.93 3k7c h ILE 49 Ca 0.33 -0.38 0.16 0.00 1.00 0.00 0.00 64.86 65.97 3k7c h ILE 49 Cb 0.53 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 3k7c h ILE 49 CO -0.47 0.17 0.58 0.74 0.00 0.00 0.00 178.15 179.18 3k7c h THR 50 N 0.76 0.80 -0.05 -0.27 2.02 -0.06 0.75 112.91 116.86 3k7c h THR 50 Ca 0.20 -0.22 -0.25 0.00 0.77 0.00 0.00 66.41 66.91 3k7c h THR 50 Cb -0.01 0.09 0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3k7c h THR 50 CO -0.04 0.12 -0.94 1.56 0.37 0.00 0.00 175.52 176.59 3k7c h GLN 51 N 0.65 0.72 0.14 6.66 4.20 -0.37 -2.63 115.11 124.48 3k7c h GLN 51 Ca 0.46 -0.71 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3k7c h GLN 51 Cb 0.81 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3k7c h GLN 51 CO -0.21 1.30 -0.07 0.28 -0.67 0.00 0.00 178.83 179.45 3k7c h VAL 52 N 0.41 0.91 -0.87 -0.54 2.07 -0.66 -2.04 116.25 115.53 3k7c h VAL 52 Ca -0.10 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3k7c h VAL 52 Cb 1.59 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 3k7c h VAL 52 CO 0.19 0.05 0.53 0.58 0.02 0.00 0.00 177.57 178.93 3k7c h VAL 53 N -0.28 0.99 -0.45 2.57 2.07 -0.94 -1.51 116.25 118.70 3k7c h VAL 53 Ca -0.02 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 3k7c h VAL 53 Cb 0.22 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3k7c h VAL 53 CO 0.03 0.17 -0.20 0.00 0.02 0.00 0.00 177.57 177.59 3k7c h ALA 54 N 1.44 0.81 -0.30 1.67 0.00 -1.36 -0.99 119.26 120.53 3k7c h ALA 54 Ca 0.40 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3k7c h ALA 54 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3k7c h ALA 54 CO -0.21 0.65 -0.05 1.49 0.00 0.00 0.00 179.25 181.13 3k7c h GLU 55 N 0.77 0.56 -0.55 0.00 4.81 -0.97 -1.86 114.58 117.34 3k7c h GLU 55 Ca 0.11 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3k7c h GLU 55 Cb 0.74 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3k7c h GLU 55 CO 0.06 0.74 0.35 -0.91 -0.73 0.00 0.00 179.01 178.52 3k7c h ASN 56 N 0.33 0.65 -0.32 1.04 -0.26 -1.23 0.19 115.58 115.98 3k7c h ASN 56 Ca 0.08 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3k7c h ASN 56 Cb 0.52 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 3k7c h ASN 56 CO 0.03 0.49 0.19 0.00 -1.06 0.00 0.00 177.43 177.08 3k7c h ALA 57 N 1.18 0.40 -0.23 -0.83 0.00 -1.16 0.52 119.26 119.15 3k7c h ALA 57 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3k7c h ALA 57 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k7c h ALA 57 CO -0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 3k7c h ALA 58 N 1.07 1.30 -0.24 0.00 0.00 -1.15 -1.77 119.26 118.47 3k7c h ALA 58 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3k7c h ALA 58 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3k7c h ALA 58 CO -0.02 0.47 0.07 -0.22 0.00 0.00 0.00 179.25 179.55 3k7c h LYS 59 N 0.37 0.37 -0.58 0.00 3.64 -0.12 -2.47 116.57 117.78 3k7c h LYS 59 Ca 0.07 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3k7c h LYS 59 Cb 0.50 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3k7c h LYS 59 CO 0.03 0.46 0.19 0.00 -2.27 0.00 0.00 179.45 177.86 3k7c h ALA 60 N 0.89 0.76 -0.56 5.00 0.00 0.47 -1.95 119.26 123.87 3k7c h ALA 60 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3k7c h ALA 60 Cb 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3k7c h ALA 60 CO -0.00 0.42 0.32 -0.22 0.00 0.00 0.00 179.25 179.76 3k7c h LYS 61 N 0.81 0.60 -1.04 0.00 3.11 -1.39 0.32 116.57 118.98 3k7c h LYS 61 Ca 0.19 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3k7c h LYS 61 Cb 0.27 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 3k7c h LYS 61 CO -0.01 0.40 0.00 -2.13 -2.81 0.00 0.00 179.45 174.90 3k7c n ARG 62 N -4.81 0.00 0.00 1.90 0.63 -0.73 -4.19 116.66 109.46 3k7c n ARG 62 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3k7c n ARG 62 Cb 0.11 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 31.90 3k7c n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k7c n GLY 64 N 0.68 0.74 0.00 5.14 0.00 -0.92 -5.04 105.19 105.80 3k7c n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k7c n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k7c n GLY 65 N -0.29 -0.76 3.71 -0.02 0.00 0.11 -4.50 105.19 103.44 3k7c n GLY 65 Ca 0.00 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3k7c n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k7c s VAL 66 N -1.73 4.99 -0.16 1.61 1.01 -1.26 -0.51 120.40 124.35 3k7c s VAL 66 Ca 0.00 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 3k7c s VAL 66 Cb 0.00 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 3k7c s VAL 66 CO 0.00 0.21 0.45 0.50 0.00 0.00 0.00 175.10 176.27 3k7c h LYS 67 N 6.80 0.07 -3.19 2.72 3.64 -0.20 -3.45 116.57 122.96 3k7c h LYS 67 Ca -0.40 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3k7c h LYS 67 Cb 1.20 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 3k7c h LYS 67 CO 0.76 1.05 0.12 0.34 -2.27 0.00 0.00 179.45 179.45 3k7c s ASP 68 N -6.73 -0.26 -0.05 4.20 2.15 -0.92 -5.01 116.67 110.05 3k7c s ASP 68 Ca -0.24 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.18 3k7c s ASP 68 Cb 0.03 0.65 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 3k7c s ASP 68 CO 0.66 -1.20 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.82 3k7c s ILE 69 N -3.91 0.35 0.02 4.11 1.01 -1.26 -1.39 121.20 120.14 3k7c s ILE 69 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 3k7c s ILE 69 Cb -0.03 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 3k7c s ILE 69 CO 0.03 0.20 -0.02 -1.10 0.00 0.00 0.00 174.94 174.04 3k7c s GLN 70 N 1.24 0.34 -0.19 2.79 -0.21 -0.34 -4.98 119.66 118.31 3k7c s GLN 70 Ca -0.06 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 3k7c s GLN 70 Cb -0.13 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.95 3k7c s GLN 70 CO -0.02 -0.06 0.19 0.42 -2.12 0.00 0.00 175.29 173.70 3k7c s ILE 71 N -1.70 5.37 -0.14 1.08 1.01 -1.26 0.65 121.20 126.20 3k7c s ILE 71 Ca -0.14 0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.92 3k7c s ILE 71 Cb -0.08 -3.53 -0.16 0.00 0.01 0.00 0.00 42.46 38.70 3k7c s ILE 71 CO -0.02 0.41 0.01 -0.62 0.00 0.00 0.00 174.94 174.72 3k7c n GLU 72 N 3.68 1.49 -3.82 2.79 1.02 -0.46 -4.94 120.64 120.38 3k7c n GLU 72 Ca -0.14 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 3k7c n GLU 72 Cb 0.52 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 3k7c n GLU 72 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k7c s GLU 73 N -2.34 0.43 -0.03 3.49 2.02 -1.24 -4.99 118.70 116.05 3k7c s GLU 73 Ca -0.10 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 54.80 3k7c s GLU 73 Cb 0.05 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.48 3k7c s GLU 73 CO 0.54 -0.10 -0.04 0.15 0.02 0.00 0.00 175.26 175.83 3k7c s LYS 74 N -0.82 0.68 -0.28 1.61 1.02 -1.26 -1.27 119.74 119.41 3k7c s LYS 74 Ca -0.09 -0.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.78 3k7c s LYS 74 Cb -0.05 -0.70 0.09 0.00 -0.52 0.00 0.00 37.83 36.65 3k7c s LYS 74 CO 0.02 -0.04 0.09 0.99 -0.92 0.00 0.00 175.35 175.48 3k7c s THR 75 N 0.71 0.58 -0.02 2.17 2.01 0.77 -5.01 115.64 116.85 3k7c s THR 75 Ca -0.09 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.84 3k7c s THR 75 Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.02 3k7c s THR 75 CO -0.00 -0.60 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.65 3k7c s ILE 76 N 1.78 0.47 0.00 1.82 1.01 -1.26 -1.19 121.20 123.83 3k7c s ILE 76 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3k7c s ILE 76 Cb -0.17 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.85 3k7c s ILE 76 CO -0.25 0.17 0.00 -0.46 0.00 0.00 0.00 174.94 174.40 3k7c n ASN 77 N 3.46 1.06 -0.19 3.58 0.23 -0.47 -5.02 115.26 117.91 3k7c n ASN 77 Ca -0.19 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 53.83 3k7c n ASN 77 Cb 0.54 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.32 3k7c n ASN 77 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3k7c h LYS 78 N 0.00 0.52 0.00 -3.83 5.09 -2.04 -3.35 116.57 112.96 3k7c h LYS 78 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 3k7c h LYS 78 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.21 3k7c h LYS 78 CO 0.00 0.34 0.00 -0.40 -2.09 0.00 0.00 179.45 177.30 3k7c n ASP 79 N -4.88 0.97 -3.78 7.07 5.68 -1.26 -4.83 116.55 115.53 3k7c n ASP 79 Ca 0.06 -1.28 -0.12 0.00 -0.50 0.00 0.00 54.79 52.96 3k7c n ASP 79 Cb 0.17 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.07 3k7c n ASP 79 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3k7c s SER 80 N -0.28 -0.11 -0.07 -1.12 1.04 -1.26 -1.30 113.70 110.61 3k7c s SER 80 Ca 0.00 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 3k7c s SER 80 Cb 0.00 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.47 3k7c s SER 80 CO 0.00 -0.54 0.36 0.00 0.98 0.00 0.00 173.24 174.04 3k7c s ALA 81 N -2.09 -0.90 -0.06 5.32 0.00 0.17 -1.37 121.76 122.85 3k7c s ALA 81 Ca -0.08 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3k7c s ALA 81 Cb -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3k7c s ALA 81 CO -0.01 -0.23 0.02 0.21 0.00 0.00 0.00 175.76 175.76 3k7c s LYS 82 N -0.68 0.32 -0.07 0.00 2.20 -0.33 -0.45 119.74 120.73 3k7c s LYS 82 Ca -0.08 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 3k7c s LYS 82 Cb -0.04 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.55 3k7c s LYS 82 CO 0.03 -0.30 0.01 0.42 -0.36 0.00 0.00 175.35 175.15 3k7c s ILE 83 N 1.99 0.30 -0.32 5.43 1.01 -0.45 -0.16 121.20 129.00 3k7c s ILE 83 Ca 0.04 0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 3k7c s ILE 83 Cb -0.12 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.86 3k7c s ILE 83 CO -0.04 0.22 0.86 -0.60 0.00 0.00 0.00 174.94 175.39 3k7c s ARG 84 N 2.00 3.95 -0.17 2.79 3.52 -0.40 0.13 118.95 130.78 3k7c s ARG 84 Ca 0.05 0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 56.24 3k7c s ARG 84 Cb -0.12 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 3k7c s ARG 84 CO -0.05 -0.77 0.06 0.08 -0.81 0.00 0.00 175.30 173.82 3k7c s VAL 85 N 3.17 4.82 -0.22 7.11 1.01 -0.58 -1.36 120.40 134.35 3k7c s VAL 85 Ca 0.36 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 3k7c s VAL 85 Cb -0.13 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3k7c s VAL 85 CO 0.14 0.48 0.07 -0.22 0.00 0.00 0.00 175.10 175.57 3k7c s LEU 86 N 0.16 3.60 -0.22 3.92 2.96 0.21 -2.48 118.68 126.83 3k7c s LEU 86 Ca 0.05 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 3k7c s LEU 86 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3k7c s LEU 86 CO 0.00 0.06 0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 3k7c s VAL 87 N 1.08 4.78 -0.26 1.68 1.01 0.92 -1.19 120.40 128.41 3k7c s VAL 87 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3k7c s VAL 87 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3k7c s VAL 87 CO 0.03 0.40 0.11 -0.76 0.00 0.00 0.00 175.10 174.88 3k7c s LEU 88 N 0.90 3.65 0.39 3.92 1.02 -0.48 -0.97 118.68 127.11 3k7c s LEU 88 Ca 0.05 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.02 3k7c s LEU 88 Cb -0.14 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3k7c s LEU 88 CO 0.03 -0.05 0.63 -0.36 0.02 0.00 0.00 176.35 176.62 3k7c s PHE 89 N 1.66 3.52 -1.17 0.29 0.08 -0.14 0.50 117.98 122.72 3k7c s PHE 89 Ca 0.06 0.52 0.16 0.00 0.12 0.00 0.00 56.93 57.80 3k7c s PHE 89 Cb -0.15 -2.04 0.75 0.00 -0.57 0.00 0.00 43.02 41.00 3k7c s PHE 89 CO 0.06 -0.02 1.50 0.09 -0.10 0.00 0.00 175.22 176.76 3k7c n ASN 90 N -1.93 0.00 -0.64 1.36 3.02 0.34 -1.94 115.26 115.47 3k7c n ASN 90 Ca -0.03 0.32 0.08 0.00 -0.03 0.00 0.00 54.58 54.92 3k7c n ASN 90 Cb 0.56 -0.41 0.24 0.00 -0.61 0.00 0.00 39.78 39.55 3k7c n ASN 90 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k7c n ASN 91 N -1.41 1.89 0.00 6.41 6.94 -1.26 -4.92 115.26 122.90 3k7c n ASN 91 Ca 0.05 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 3k7c n ASN 91 Cb 0.17 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 3k7c n ASN 91 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3k7c n ASP 92 N 0.50 -0.13 -4.80 0.53 8.00 -0.82 -5.04 116.55 114.79 3k7c n ASP 92 Ca 0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 3k7c n ASP 92 Cb 0.32 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3k7c n ASP 92 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3k7c s ASN 93 N -2.95 7.22 0.18 -2.24 -0.87 -1.26 -4.91 114.94 110.11 3k7c s ASN 93 Ca 0.00 1.62 0.09 0.00 -1.57 0.00 0.00 52.86 53.00 3k7c s ASN 93 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 3k7c s ASN 93 CO 0.00 0.01 -0.18 0.20 -2.57 0.00 0.00 177.10 174.57 3k7c s ASN 94 N -1.58 2.73 0.00 -1.22 0.01 -1.26 -0.97 114.94 112.65 3k7c s ASN 94 Ca 0.45 -0.90 -0.06 0.00 -0.71 0.00 0.00 52.86 51.65 3k7c s ASN 94 Cb -0.18 -0.16 -0.00 0.00 0.41 0.00 0.00 41.25 41.31 3k7c s ASN 94 CO 0.23 -0.05 0.10 -1.10 -1.51 0.00 0.00 177.10 174.77 3k7c s GLN 95 N -2.98 0.42 0.03 -0.60 -0.21 -0.14 -4.99 119.66 111.19 3k7c s GLN 95 Ca 0.18 -0.39 -0.01 0.00 0.02 0.00 0.00 55.36 55.16 3k7c s GLN 95 Cb -0.05 0.17 -0.02 0.00 1.00 0.00 0.00 33.01 34.11 3k7c s GLN 95 CO 0.07 -0.09 -0.02 -1.54 -2.12 0.00 0.00 175.29 171.59 3k7c s SER 96 N -1.28 0.30 0.20 5.90 1.04 -1.26 -0.06 113.70 118.55 3k7c s SER 96 Ca -0.14 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 3k7c s SER 96 Cb -0.08 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.23 3k7c s SER 96 CO 0.01 -0.39 0.63 -0.94 0.98 0.00 0.00 173.24 173.52 3k7c s SER 97 N -1.90 -0.44 -0.01 7.02 1.04 -1.03 -5.00 113.70 113.39 3k7c s SER 97 Ca -0.09 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.87 3k7c s SER 97 Cb -0.05 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3k7c s SER 97 CO -0.04 -1.10 0.65 0.20 0.98 0.00 0.00 173.24 173.93 3k7c s ASN 98 N -2.82 7.02 -0.26 7.02 0.01 -1.26 -1.53 114.94 123.13 3k7c s ASN 98 Ca 0.05 1.22 -0.11 0.00 -0.71 0.00 0.00 52.86 53.31 3k7c s ASN 98 Cb -0.03 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 3k7c s ASN 98 CO -0.06 0.04 0.17 -0.69 -1.51 0.00 0.00 177.10 175.06 3k7c s VAL 99 N 0.03 5.33 -0.10 1.60 1.01 0.12 -4.94 120.40 123.45 3k7c s VAL 99 Ca 0.34 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 3k7c s VAL 99 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3k7c s VAL 99 CO 0.18 0.31 0.28 -0.36 0.00 0.00 0.00 175.10 175.51 3k7c s PHE 100 N 1.35 3.59 0.10 5.22 0.40 -1.26 -1.34 117.98 126.03 3k7c s PHE 100 Ca 0.07 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.15 3k7c s PHE 100 Cb -0.15 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 3k7c s PHE 100 CO 0.07 0.52 -0.13 -0.51 0.70 0.00 0.00 175.22 175.87 3k7c s LEU 101 N -0.48 2.36 0.07 -0.37 1.02 0.40 -0.48 118.68 121.19 3k7c s LEU 101 Ca 0.18 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 53.64 3k7c s LEU 101 Cb -0.14 -0.46 -0.03 0.00 0.02 0.00 0.00 46.19 45.58 3k7c s LEU 101 CO 0.07 -0.16 -0.14 0.00 0.02 0.00 0.00 176.35 176.14 3k7c s ALA 102 N -1.93 1.11 -0.18 4.21 0.00 -0.65 -0.65 121.76 123.67 3k7c s ALA 102 Ca 0.04 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 3k7c s ALA 102 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3k7c s ALA 102 CO 0.02 0.15 0.59 0.21 0.00 0.00 0.00 175.76 176.73 3k7c s LYS 103 N -1.71 4.24 -0.14 0.00 2.20 -0.42 -0.75 119.74 123.17 3k7c s LYS 103 Ca -0.03 0.57 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 3k7c s LYS 103 Cb -0.10 -3.55 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3k7c s LYS 103 CO 0.02 -0.15 0.37 0.15 -0.36 0.00 0.00 175.35 175.38 3k7c s LYS 104 N 1.61 0.43 3.08 4.03 1.02 -0.05 -4.94 119.74 124.93 3k7c s LYS 104 Ca 0.28 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.77 3k7c s LYS 104 Cb -0.16 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3k7c s LYS 104 CO 0.11 -0.05 0.00 -0.25 -0.92 0.00 0.00 175.35 174.23 3k7c n ASP 105 N 2.85 0.00 -1.52 2.83 8.00 -1.26 -2.91 116.55 124.55 3k7c n ASP 105 Ca -0.13 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.34 3k7c n ASP 105 Cb 0.57 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.94 3k7c n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k7c n ARG 106 N 14.00 3.00 -4.25 -1.24 3.00 -1.26 -4.98 116.66 124.93 3k7c n ARG 106 Ca 0.00 -3.04 -0.21 0.00 -0.01 0.00 0.00 57.85 54.59 3k7c n ARG 106 Cb 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 32.46 30.32 3k7c n ARG 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3k7c s LYS 107 N -3.03 1.04 0.11 5.56 -2.85 -1.14 -5.12 119.74 114.30 3k7c s LYS 107 Ca 0.49 -1.15 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 3k7c s LYS 107 Cb 0.41 -1.14 -0.07 0.00 -2.06 0.00 0.00 37.83 34.97 3k7c s LYS 107 CO 0.09 0.25 0.71 -1.58 0.10 0.00 0.00 175.35 174.92 3k7c s TRP 108 N -1.49 3.84 0.02 1.78 0.52 -1.26 -0.87 118.94 121.47 3k7c s TRP 108 Ca 0.06 1.48 0.03 0.00 0.02 0.00 0.00 56.10 57.69 3k7c s TRP 108 Cb -0.08 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 3k7c s TRP 108 CO 0.04 0.48 -0.10 -0.51 0.02 0.00 0.00 176.95 176.88 3k7c s LEU 109 N -0.87 2.12 0.02 2.99 1.43 0.07 -4.97 118.68 119.46 3k7c s LEU 109 Ca 0.34 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 3k7c s LEU 109 Cb -0.21 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 3k7c s LEU 109 CO 0.23 0.02 1.04 -0.69 0.23 0.00 0.00 176.35 177.17 3k7c s VAL 110 N -0.67 4.64 0.28 -1.59 1.01 -0.32 -1.64 120.40 122.10 3k7c s VAL 110 Ca -0.00 1.90 -0.20 0.00 0.00 0.00 0.00 61.98 63.67 3k7c s VAL 110 Cb -0.06 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3k7c s VAL 110 CO 0.00 0.15 0.79 -0.76 0.00 0.00 0.00 175.10 175.29 3k7c s LEU 111 N 1.00 4.27 -0.46 3.92 1.43 0.37 -1.14 118.68 128.06 3k7c s LEU 111 Ca 0.54 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.88 3k7c s LEU 111 Cb -0.23 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.19 3k7c s LEU 111 CO 0.28 -0.06 1.03 -0.76 0.23 0.00 0.00 176.35 177.08 3k7c s LEU 112 N -2.24 3.82 0.00 1.79 1.43 -1.26 -4.66 118.68 117.56 3k7c s LEU 112 Ca 0.48 0.32 0.26 0.00 -1.03 0.00 0.00 54.13 54.15 3k7c s LEU 112 Cb -0.16 -3.37 0.59 0.00 0.03 0.00 0.00 46.19 43.28 3k7c s LEU 112 CO 0.20 -1.14 1.48 0.29 0.23 0.00 0.00 176.35 177.42