#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkc n ALA 0 N 0.00 1.01 0.00 5.20 0.00 -1.26 -2.09 120.51 123.37 3kkc n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kkc n ALA 0 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3kkc n ALA 0 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kkc n VAL 2 N -0.02 0.00 0.04 0.00 0.31 -1.26 0.13 118.33 117.52 3kkc n VAL 2 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3kkc n VAL 2 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 3kkc n VAL 2 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kkc h LYS 3 N 0.00 0.43 -0.17 5.55 1.57 -1.86 -3.02 116.57 119.07 3kkc h LYS 3 Ca 0.00 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 3kkc h LYS 3 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kkc h LYS 3 CO 0.00 0.92 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.97 3kkc h ASP 4 N 0.32 0.63 -0.53 0.86 3.45 0.76 -1.70 116.42 120.21 3kkc h ASP 4 Ca -0.01 -0.57 0.05 0.00 0.43 0.00 0.00 57.03 56.93 3kkc h ASP 4 Cb 1.17 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.72 3kkc h ASP 4 CO 0.11 1.09 0.35 0.03 -1.57 0.00 0.00 179.24 179.25 3kkc h ARG 5 N 0.21 0.52 -0.50 3.56 3.08 -1.80 -1.00 114.38 118.46 3kkc h ARG 5 Ca -0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3kkc h ARG 5 Cb 0.99 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3kkc h ARG 5 CO 0.09 0.34 -0.02 0.37 -1.07 0.00 0.00 179.97 179.68 3kkc h GLN 6 N 0.54 0.89 0.26 0.04 5.75 -1.36 -0.89 115.11 120.33 3kkc h GLN 6 Ca 0.22 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3kkc h GLN 6 Cb 0.21 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3kkc h GLN 6 CO -0.06 0.93 -0.45 0.82 -2.65 0.00 0.00 178.83 177.42 3kkc h ILE 7 N 0.75 0.12 -0.56 2.39 1.08 -0.29 -1.95 117.51 119.04 3kkc h ILE 7 Ca 0.14 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.77 3kkc h ILE 7 Cb 0.54 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 3kkc h ILE 7 CO 0.03 0.00 0.40 1.56 -0.69 0.00 0.00 178.15 179.45 3kkc h GLN 8 N -0.78 0.02 -0.06 2.37 7.50 -1.16 -1.61 115.11 121.38 3kkc h GLN 8 Ca -0.01 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.02 3kkc h GLN 8 Cb 0.74 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 3kkc h GLN 8 CO -0.17 0.01 -0.48 -0.22 -1.50 0.00 0.00 178.83 176.47 3kkc h LYS 9 N 0.02 0.16 0.00 1.46 3.64 -0.37 -1.87 116.57 119.61 3kkc h LYS 9 Ca 0.27 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3kkc h LYS 9 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3kkc h LYS 9 CO -0.01 0.61 -0.37 0.25 -2.27 0.00 0.00 179.45 177.67 3kkc n THR 10 N -3.96 0.18 0.03 1.00 -2.24 -0.64 -2.73 114.28 105.93 3kkc n THR 10 Ca -0.02 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3kkc n THR 10 Cb 0.52 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3kkc n THR 10 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kkc h LYS 11 N 0.00 -0.11 -0.03 -0.78 3.64 -1.00 -2.25 116.57 116.05 3kkc h LYS 11 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3kkc h LYS 11 Cb 0.60 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3kkc h LYS 11 CO 0.00 -0.07 0.13 -0.39 -2.27 0.00 0.00 179.45 176.85 3kkc h VAL 12 N -0.33 0.09 0.00 2.00 -1.51 -1.65 0.16 116.25 115.02 3kkc h VAL 12 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 3kkc h VAL 12 Cb 0.08 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 3kkc h VAL 12 CO 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3kkc h ALA 13 N 1.76 1.00 0.14 5.19 0.00 -1.47 -0.26 119.26 125.62 3kkc h ALA 13 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 3kkc h ALA 13 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kkc h ALA 13 CO -0.00 0.00 -1.69 0.82 0.00 0.00 0.00 179.25 178.38 3kkc h ILE 14 N 0.00 0.88 -0.03 0.00 2.04 -0.12 -3.33 117.51 116.95 3kkc h ILE 14 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3kkc h ILE 14 Cb 0.71 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3kkc h ILE 14 CO 0.00 0.80 -0.05 0.22 0.00 0.00 0.00 178.15 179.12 3kkc h TYR 15 N -0.08 -0.16 0.00 1.37 3.20 -0.98 -0.71 116.97 119.61 3kkc h TYR 15 Ca -0.35 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3kkc h TYR 15 Cb 1.94 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.29 3kkc h TYR 15 CO 0.10 -0.05 0.20 -0.91 -1.64 0.00 0.00 178.16 175.86 3kkc h ASN 16 N -0.05 0.00 0.72 -2.11 2.35 -1.25 1.09 115.58 116.34 3kkc h ASN 16 Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.50 3kkc h ASN 16 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3kkc h ASN 16 CO -0.05 0.00 -1.26 0.00 -1.65 0.00 0.00 177.43 174.47 3kkc h ALA 17 N 1.58 0.31 -0.02 -0.83 0.00 -1.51 -3.07 119.26 115.72 3kkc h ALA 17 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3kkc h ALA 17 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kkc h ALA 17 CO 0.00 1.19 0.00 0.34 0.00 0.00 0.00 179.25 180.78 3kkc n PHE 18 N -3.39 0.03 -0.01 0.00 7.35 0.37 -2.99 117.46 118.83 3kkc n PHE 18 Ca -0.08 -0.01 0.01 0.00 -0.76 0.00 0.00 57.45 56.61 3kkc n PHE 18 Cb 1.00 -0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.78 3kkc n PHE 18 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3kkc n ILE 19 N -0.36 0.06 -0.01 -2.13 5.41 -0.79 -4.21 119.36 117.32 3kkc n ILE 19 Ca 0.01 -0.09 -0.21 0.00 1.00 0.00 0.00 62.75 63.45 3kkc n ILE 19 Cb 0.06 0.07 -0.14 0.00 -0.71 0.00 0.00 39.64 38.93 3kkc n ILE 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3kkc h SER 20 N 0.00 0.33 -0.03 4.38 0.02 -1.51 -2.86 113.55 113.87 3kkc h SER 20 Ca -0.02 -0.82 0.01 0.00 -0.84 0.00 0.00 61.79 60.11 3kkc h SER 20 Cb 0.43 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3kkc h SER 20 CO 0.00 1.61 0.02 -0.07 -1.14 0.00 0.00 176.83 177.26 3kkc h LEU 21 N -0.37 0.00 0.00 5.07 3.38 -1.81 -1.99 115.31 119.59 3kkc h LEU 21 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3kkc h LEU 21 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3kkc h LEU 21 CO 0.03 0.00 -0.61 0.25 0.09 0.00 0.00 178.44 178.20 3kkc h LEU 22 N 0.00 0.00 -0.12 1.67 5.85 -1.73 -2.98 115.31 118.00 3kkc h LEU 22 Ca 0.01 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3kkc h LEU 22 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3kkc h LEU 22 CO -0.00 0.04 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.42 3kkc h GLN 23 N 0.00 0.28 0.00 1.25 5.75 -1.12 -3.42 115.11 117.85 3kkc h GLN 23 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3kkc h GLN 23 Cb 0.90 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3kkc h GLN 23 CO 0.00 0.67 0.00 0.39 -2.65 0.00 0.00 178.83 177.24 3kkc n GLU 24 N -4.63 0.00 0.00 1.69 -0.58 -1.12 -4.97 120.64 111.03 3kkc n GLU 24 Ca -0.06 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3kkc n GLU 24 Cb 0.33 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 3kkc n GLU 24 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3kkc n ASN 25 N -1.08 0.00 -4.10 1.62 6.94 -1.12 -5.14 115.26 112.38 3kkc n ASN 25 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.44 3kkc n ASN 25 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 3kkc n ASN 25 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3kkc s ASP 26 N -1.00 0.15 0.10 0.53 1.47 -1.26 -4.46 116.67 112.20 3kkc s ASP 26 Ca 0.00 -1.28 -0.20 0.00 1.18 0.00 0.00 52.55 52.24 3kkc s ASP 26 Cb 0.00 0.44 -0.05 0.00 -0.34 0.00 0.00 42.92 42.98 3kkc s ASP 26 CO 0.00 -0.93 1.19 0.00 0.68 0.00 0.00 175.17 176.11 3kkc n TYR 27 N -0.32 -0.29 0.31 2.11 9.36 -1.26 -2.25 117.16 124.83 3kkc n TYR 27 Ca 0.01 0.82 0.20 0.00 3.32 0.00 0.00 57.90 62.24 3kkc n TYR 27 Cb 0.65 -0.53 1.00 0.00 -0.63 0.00 0.00 39.34 39.83 3kkc n TYR 27 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kkc h SER 28 N 0.00 0.00 -0.55 2.98 4.64 -1.98 -1.93 113.55 116.71 3kkc h SER 28 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3kkc h SER 28 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3kkc h SER 28 CO -0.61 0.02 0.02 0.29 -0.87 0.00 0.00 176.83 175.67 3kkc n LYS 29 N -3.23 4.58 -4.96 4.77 4.76 -0.95 -4.92 118.16 118.21 3kkc n LYS 29 Ca -0.02 -3.13 -0.28 0.00 -2.87 0.00 0.00 58.31 52.01 3kkc n LYS 29 Cb 0.15 -2.22 -0.16 0.00 -1.84 0.00 0.00 35.03 30.96 3kkc n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kkc s ILE 30 N -2.80 1.64 0.34 -0.18 1.01 -0.73 -4.94 121.20 115.54 3kkc s ILE 30 Ca 0.53 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3kkc s ILE 30 Cb 0.41 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3kkc s ILE 30 CO 0.15 0.47 0.14 0.42 0.00 0.00 0.00 174.94 176.12 3kkc s THR 31 N 0.22 2.99 0.24 2.92 -4.23 -1.26 -5.02 115.64 111.50 3kkc s THR 31 Ca -0.10 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 3kkc s THR 31 Cb -0.15 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 70.92 3kkc s THR 31 CO 0.05 -0.18 1.80 0.58 -0.54 0.00 0.00 174.62 176.33 3kkc h VAL 32 N 1.55 0.88 -0.74 2.29 2.07 -1.99 -1.49 116.25 118.81 3kkc h VAL 32 Ca -0.44 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.00 3kkc h VAL 32 Cb 1.25 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3kkc h VAL 32 CO 0.63 0.13 0.50 1.56 0.02 0.00 0.00 177.57 180.41 3kkc h GLN 33 N 0.71 0.31 -0.43 1.57 1.08 -1.98 0.18 115.11 116.55 3kkc h GLN 33 Ca 0.38 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.47 3kkc h GLN 33 Cb 0.37 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3kkc h GLN 33 CO -0.26 0.21 -0.10 -0.44 -0.95 0.00 0.00 178.83 177.29 3kkc h ASP 34 N 0.32 0.82 0.37 1.46 3.32 -1.68 -2.41 116.42 118.63 3kkc h ASP 34 Ca 0.36 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3kkc h ASP 34 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3kkc h ASP 34 CO -0.10 0.99 -0.18 0.58 -1.72 0.00 0.00 179.24 178.81 3kkc h VAL 35 N 0.64 0.44 -1.00 -1.35 2.07 -0.61 -2.92 116.25 113.52 3kkc h VAL 35 Ca 0.11 -0.66 0.31 0.00 0.82 0.00 0.00 66.70 67.28 3kkc h VAL 35 Cb 0.63 0.68 -0.18 0.00 -1.52 0.00 0.00 31.29 30.89 3kkc h VAL 35 CO 0.04 0.09 0.17 0.40 0.02 0.00 0.00 177.57 178.29 3kkc h ILE 36 N -0.96 0.01 -0.02 4.57 2.04 -0.89 -0.14 117.51 122.12 3kkc h ILE 36 Ca -0.05 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kkc h ILE 36 Cb 0.53 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3kkc h ILE 36 CO 0.08 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.38 3kkc h GLY 37 N 0.01 -0.08 0.61 5.37 0.00 -1.33 0.25 103.07 107.89 3kkc h GLY 37 Ca 0.67 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 3kkc h GLY 37 CO -0.89 -0.10 -0.01 1.41 0.00 0.00 0.00 176.54 176.95 3kkc h LEU 38 N -0.14 -0.03 0.00 3.11 3.38 -1.06 -2.96 115.31 117.61 3kkc h LEU 38 Ca 0.04 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kkc h LEU 38 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kkc h LEU 38 CO -0.11 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3kkc n ALA 39 N -2.31 2.11 -3.88 1.53 0.00 -0.18 -4.90 120.51 112.89 3kkc n ALA 39 Ca -0.08 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 3kkc n ALA 39 Cb 0.21 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.34 3kkc n ALA 39 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kkc n ASN 40 N -1.26 -4.75 -4.21 0.00 2.85 0.82 -4.95 115.26 103.77 3kkc n ASN 40 Ca 0.10 -1.11 -0.12 0.00 -0.11 0.00 0.00 54.58 53.34 3kkc n ASN 40 Cb 0.16 -2.25 -0.10 0.00 1.24 0.00 0.00 39.78 38.83 3kkc n ASN 40 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kkc s VAL 41 N -3.38 0.40 0.90 3.44 0.11 -0.87 -5.05 120.40 115.96 3kkc s VAL 41 Ca 0.37 -1.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.35 3kkc s VAL 41 Cb -0.18 -2.14 0.13 0.00 -1.53 0.00 0.00 36.38 32.66 3kkc s VAL 41 CO 0.92 -0.42 1.10 -0.83 -3.33 0.00 0.00 175.10 172.54 3kkc s GLY 42 N -3.13 1.60 0.08 6.54 0.00 -1.26 -4.80 107.32 106.35 3kkc s GLY 42 Ca 0.25 -0.26 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 3kkc s GLY 42 CO 0.04 0.25 1.21 -0.09 0.00 0.00 0.00 173.10 174.51 3kkc h ARG 43 N -1.50 0.68 0.00 2.90 9.65 -1.99 -2.58 114.38 121.54 3kkc h ARG 43 Ca -0.50 -0.72 -0.02 0.00 -1.10 0.00 0.00 59.98 57.64 3kkc h ARG 43 Cb 1.30 0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.08 3kkc h ARG 43 CO 0.58 1.30 -0.08 0.66 2.80 0.00 0.00 179.97 185.23 3kkc h SER 44 N 0.39 0.00 0.95 -3.80 4.64 -1.98 -2.05 113.55 111.70 3kkc h SER 44 Ca -0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 3kkc h SER 44 Cb 1.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.73 3kkc h SER 44 CO 0.20 0.08 -1.13 0.71 -0.87 0.00 0.00 176.83 175.83 3kkc h THR 45 N 0.00 0.67 -0.20 2.95 1.35 -1.92 -2.66 112.91 113.10 3kkc h THR 45 Ca -0.00 -2.14 -0.10 0.00 -0.55 0.00 0.00 66.41 63.62 3kkc h THR 45 Cb 0.41 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3kkc h THR 45 CO 0.01 0.38 -0.28 0.15 -0.25 0.00 0.00 175.52 175.53 3kkc h PHE 46 N 0.00 0.66 0.00 4.73 3.57 -1.17 -3.20 116.94 121.53 3kkc h PHE 46 Ca -0.11 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3kkc h PHE 46 Cb 1.54 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3kkc h PHE 46 CO 0.00 0.93 0.00 0.66 -2.23 0.00 0.00 178.31 177.67 3kkc n TYR 47 N -4.37 0.83 1.25 0.41 4.01 -0.80 0.15 117.16 118.65 3kkc n TYR 47 Ca -0.06 0.33 0.13 0.00 -0.16 0.00 0.00 57.90 58.15 3kkc n TYR 47 Cb 0.46 -1.04 0.44 0.00 -0.31 0.00 0.00 39.34 38.88 3kkc n TYR 47 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kkc n SER 48 N -2.26 0.78 -0.01 7.72 3.41 -1.01 -4.23 113.62 118.02 3kkc n SER 48 Ca 0.02 -0.69 -0.03 0.00 -0.26 0.00 0.00 58.87 57.92 3kkc n SER 48 Cb 0.21 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3kkc n SER 48 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kkc n HIS 49 N -0.86 0.00 -3.90 7.33 8.25 -0.72 -5.03 115.22 120.30 3kkc n HIS 49 Ca 0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.30 3kkc n HIS 49 Cb 0.33 -0.11 -0.16 0.00 1.12 0.00 0.00 29.99 31.16 3kkc n HIS 49 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kkc s TYR 50 N -2.06 1.71 0.31 4.41 2.02 0.12 -5.01 117.35 118.85 3kkc s TYR 50 Ca -0.04 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.67 3kkc s TYR 50 Cb 0.01 -1.32 0.82 0.00 -0.40 0.00 0.00 41.96 41.08 3kkc s TYR 50 CO 0.06 -0.61 1.74 0.93 -1.57 0.00 0.00 175.55 176.10 3kkc h GLU 51 N 8.12 0.60 -3.50 -0.62 3.07 -1.82 -3.35 114.58 117.09 3kkc h GLU 51 Ca -0.25 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.52 3kkc h GLU 51 Cb 1.11 -0.14 -0.12 0.00 -0.84 0.00 0.00 28.75 28.77 3kkc h GLU 51 CO 0.41 0.40 -0.11 -1.54 -1.40 0.00 0.00 179.01 176.76 3kkc s SER 52 N -5.27 -0.16 0.00 1.42 1.04 -1.26 -4.95 113.70 104.53 3kkc s SER 52 Ca -0.11 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 55.86 3kkc s SER 52 Cb 0.26 0.49 0.33 0.00 0.10 0.00 0.00 66.02 67.20 3kkc s SER 52 CO 0.80 -0.92 0.98 2.29 0.98 0.00 0.00 173.24 177.36 3kkc n LYS 53 N -0.25 0.12 0.22 4.02 -0.00 -1.26 -1.47 118.16 119.54 3kkc n LYS 53 Ca -0.12 0.16 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 3kkc n LYS 53 Cb 0.63 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 34.08 3kkc n LYS 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kkc h GLU 54 N 0.00 -0.51 0.00 -1.58 4.39 -1.96 -3.21 114.58 111.70 3kkc h GLU 54 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kkc h GLU 54 Cb 0.04 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3kkc h GLU 54 CO 0.00 -0.26 0.00 1.33 -1.16 0.00 0.00 179.01 178.92 3kkc n VAL 55 N -5.26 0.74 0.09 3.13 0.24 -0.54 -2.50 118.33 114.23 3kkc n VAL 55 Ca -0.11 0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 62.16 3kkc n VAL 55 Cb 0.26 -0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 31.54 3kkc n VAL 55 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kkc h LEU 56 N 0.00 0.63 -1.06 1.34 3.38 -1.65 -2.21 115.31 115.74 3kkc h LEU 56 Ca 0.00 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 3kkc h LEU 56 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kkc h LEU 56 CO 0.00 1.52 0.31 0.25 0.09 0.00 0.00 178.44 180.61 3kkc h LEU 57 N -0.15 0.89 0.40 1.67 5.85 -1.58 -0.34 115.31 122.06 3kkc h LEU 57 Ca -0.19 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3kkc h LEU 57 Cb 1.84 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3kkc h LEU 57 CO 0.20 0.77 -0.20 0.50 -0.34 0.00 0.00 178.44 179.37 3kkc h LYS 58 N 0.97 -0.53 -0.25 1.25 3.11 -1.58 0.12 116.57 119.67 3kkc h LYS 58 Ca 0.24 0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.06 3kkc h LYS 58 Cb 0.13 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 3kkc h LYS 58 CO -0.03 -0.35 -0.07 0.93 -2.81 0.00 0.00 179.45 177.12 3kkc h GLU 59 N -0.55 0.39 -0.22 1.90 5.08 -1.25 -2.03 114.58 117.91 3kkc h GLU 59 Ca -0.05 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3kkc h GLU 59 Cb 0.43 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kkc h GLU 59 CO 0.08 0.48 -0.35 1.25 -1.00 0.00 0.00 179.01 179.47 3kkc h LEU 60 N 0.37 0.69 -0.06 1.33 6.46 -0.78 -2.58 115.31 120.74 3kkc h LEU 60 Ca 0.08 -0.53 0.02 0.00 -0.12 0.00 0.00 57.88 57.33 3kkc h LEU 60 Cb 0.36 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3kkc h LEU 60 CO 0.02 1.08 -0.07 0.00 -0.62 0.00 0.00 178.44 178.84 3kkc h GLU 62 N -0.10 0.00 0.02 0.00 5.08 -1.34 0.25 114.58 118.50 3kkc h GLU 62 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kkc h GLU 62 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kkc h GLU 62 CO -0.12 0.15 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.59 3kkc h ASP 63 N 0.00 -0.03 -0.47 1.42 3.32 -1.18 -0.16 116.42 119.33 3kkc h ASP 63 Ca -0.00 -0.71 0.03 0.00 0.02 0.00 0.00 57.03 56.37 3kkc h ASP 63 Cb 0.29 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3kkc h ASP 63 CO 0.02 0.73 0.27 -0.07 -1.72 0.00 0.00 179.24 178.47 3kkc h LEU 64 N -0.83 0.42 -0.88 1.55 4.07 -0.87 -2.67 115.31 116.10 3kkc h LEU 64 Ca -0.00 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 3kkc h LEU 64 Cb 0.73 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 3kkc h LEU 64 CO 0.01 0.30 -0.25 -0.26 -1.08 0.00 0.00 178.44 177.15 3kkc h PHE 65 N 0.53 0.00 -0.41 1.13 0.04 -0.55 -1.83 116.94 115.85 3kkc h PHE 65 Ca 0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3kkc h PHE 65 Cb 0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3kkc h PHE 65 CO -0.08 0.25 0.13 1.25 -0.60 0.00 0.00 178.31 179.26 3kkc h HIS 66 N 0.00 0.66 -0.06 -0.55 -0.00 -0.67 -1.36 115.15 113.17 3kkc h HIS 66 Ca -0.00 -0.06 -0.16 0.00 -0.00 0.00 0.00 60.37 60.15 3kkc h HIS 66 Cb 0.86 -0.19 0.01 0.00 -0.00 0.00 0.00 27.41 28.08 3kkc h HIS 66 CO 0.00 0.61 -0.57 1.25 -0.00 0.00 0.00 177.93 179.22 3kkc h HIS 67 N 0.53 0.69 -0.24 5.26 -0.00 -1.28 -2.27 115.15 117.84 3kkc h HIS 67 Ca 0.13 -0.33 0.06 0.00 -0.00 0.00 0.00 60.37 60.23 3kkc h HIS 67 Cb 0.25 -0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.49 3kkc h HIS 67 CO 0.01 1.13 -0.27 -0.07 -0.00 0.00 0.00 177.93 178.73 3kkc h LEU 68 N 0.06 -0.85 -3.04 0.26 3.38 -1.37 -3.28 115.31 110.47 3kkc h LEU 68 Ca -0.05 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kkc h LEU 68 Cb 1.24 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3kkc h LEU 68 CO 0.12 -0.30 0.00 0.49 0.09 0.00 0.00 178.44 178.84 3kkc n PHE 69 N -5.39 0.81 -2.01 1.13 3.72 -0.51 -4.72 117.46 110.48 3kkc n PHE 69 Ca -0.01 -0.64 -0.34 0.00 -0.05 0.00 0.00 57.45 56.42 3kkc n PHE 69 Cb 0.30 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 3kkc n PHE 69 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kkc s LYS 70 N -1.71 2.56 -0.39 -1.08 2.20 -0.85 -4.80 119.74 115.67 3kkc s LYS 70 Ca 0.35 0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 56.25 3kkc s LYS 70 Cb 0.23 -4.63 -0.15 0.00 -1.51 0.00 0.00 37.83 31.77 3kkc s LYS 70 CO 0.16 -3.01 2.58 0.94 -0.36 0.00 0.00 175.35 175.65 3kkc n GLN 71 N 9.06 1.80 -0.07 4.03 -0.06 -1.26 -3.80 117.38 127.08 3kkc n GLN 71 Ca 0.28 -1.03 -0.06 0.00 -2.00 0.00 0.00 57.00 54.19 3kkc n GLN 71 Cb 0.50 -2.09 -0.02 0.00 -4.06 0.00 0.00 30.24 24.57 3kkc n GLN 71 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3kkc h GLY 72 N 6.19 0.00 -7.31 1.69 0.00 -1.97 -3.43 103.07 98.23 3kkc h GLY 72 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.29 3kkc h GLY 72 CO 0.73 0.00 1.31 -0.96 0.00 0.00 0.00 176.54 177.62 3kkc n ARG 73 N -4.62 0.52 -2.17 4.80 1.85 -1.25 -4.80 116.66 111.00 3kkc n ARG 73 Ca -0.08 -0.23 -0.37 0.00 -1.00 0.00 0.00 57.85 56.17 3kkc n ARG 73 Cb 0.27 -2.71 -0.03 0.00 -1.05 0.00 0.00 32.46 28.94 3kkc n ARG 73 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3kkc n ASP 74 N 13.88 3.86 -4.87 2.89 3.85 -1.26 -4.91 116.55 130.00 3kkc n ASP 74 Ca 0.51 -2.80 -0.24 0.00 -0.71 0.00 0.00 54.79 51.55 3kkc n ASP 74 Cb 0.34 -1.68 0.03 0.00 -1.35 0.00 0.00 41.12 38.45 3kkc n ASP 74 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3kkc n VAL 75 N 6.85 0.00 -0.80 2.12 0.24 -1.26 -5.10 118.33 120.38 3kkc n VAL 75 Ca 0.48 -2.08 -0.30 0.00 -2.04 0.00 0.00 64.34 60.39 3kkc n VAL 75 Cb 0.45 -0.21 0.17 0.00 -1.47 0.00 0.00 33.84 32.78 3kkc n VAL 75 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3kkc s THR 76 N -2.67 2.29 0.10 3.34 -4.23 -1.26 -4.82 115.64 108.39 3kkc s THR 76 Ca 0.42 0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 3kkc s THR 76 Cb -0.03 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 3kkc s THR 76 CO 0.27 -0.12 1.68 0.15 -0.54 0.00 0.00 174.62 176.05 3kkc h PHE 77 N -1.89 0.31 0.00 3.99 3.57 -1.99 -1.93 116.94 118.99 3kkc h PHE 77 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 3kkc h PHE 77 Cb 1.28 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3kkc h PHE 77 CO 0.46 0.30 0.00 0.93 -2.23 0.00 0.00 178.31 177.77 3kkc h GLU 78 N 0.22 0.00 0.00 1.11 5.08 -2.00 0.94 114.58 119.93 3kkc h GLU 78 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3kkc h GLU 78 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3kkc h GLU 78 CO -0.01 0.00 -0.83 0.93 -1.00 0.00 0.00 179.01 178.10 3kkc h GLU 79 N 0.00 0.00 -0.46 2.33 5.08 -1.88 -2.53 114.58 117.12 3kkc h GLU 79 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3kkc h GLU 79 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3kkc h GLU 79 CO 0.00 0.46 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.35 3kkc h TYR 80 N 0.00 1.03 -0.03 4.33 3.20 -0.02 -2.40 116.97 123.08 3kkc h TYR 80 Ca -0.06 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.55 3kkc h TYR 80 Cb 1.47 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3kkc h TYR 80 CO 0.00 1.02 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.39 3kkc h LEU 81 N 0.79 0.13 -1.72 2.82 4.07 -1.48 -3.14 115.31 116.79 3kkc h LEU 81 Ca 0.11 -0.60 -0.03 0.00 0.08 0.00 0.00 57.88 57.45 3kkc h LEU 81 Cb 0.74 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.44 3kkc h LEU 81 CO 0.06 0.70 -0.13 0.58 -1.08 0.00 0.00 178.44 178.57 3kkc h VAL 82 N -0.44 1.10 0.25 1.22 2.07 -1.42 0.08 116.25 119.11 3kkc h VAL 82 Ca -0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kkc h VAL 82 Cb 0.69 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3kkc h VAL 82 CO 0.02 0.13 -0.12 -0.74 0.02 0.00 0.00 177.57 176.88 3kkc h HIS 83 N 0.01 -0.32 -0.59 1.57 -0.00 -1.52 -2.01 115.15 112.29 3kkc h HIS 83 Ca 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.50 3kkc h HIS 83 Cb 0.24 0.10 -0.11 0.00 -0.00 0.00 0.00 27.41 27.64 3kkc h HIS 83 CO 0.00 -0.20 -0.07 -0.89 -0.00 0.00 0.00 177.93 176.77 3kkc n ILE 84 N -2.96 -0.25 -0.02 6.26 5.41 -0.81 -1.50 119.36 125.50 3kkc n ILE 84 Ca -0.04 1.34 -0.16 0.00 1.00 0.00 0.00 62.75 64.88 3kkc n ILE 84 Cb 0.13 -1.90 -0.10 0.00 -0.71 0.00 0.00 39.64 37.07 3kkc n ILE 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kkc h LEU 85 N 0.00 0.50 -1.21 1.39 5.85 -1.01 -3.01 115.31 117.82 3kkc h LEU 85 Ca 0.32 -0.70 0.24 0.00 0.84 0.00 0.00 57.88 58.58 3kkc h LEU 85 Cb 0.58 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3kkc h LEU 85 CO -0.59 1.13 0.63 0.50 -0.34 0.00 0.00 178.44 179.77 3kkc h LYS 86 N -0.09 0.50 -0.12 1.25 1.63 -0.48 0.28 116.57 119.53 3kkc h LYS 86 Ca -0.05 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3kkc h LYS 86 Cb 1.16 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 3kkc h LYS 86 CO 0.10 0.33 0.05 0.45 -3.45 0.00 0.00 179.45 176.93 3kkc h HIS 87 N 0.51 0.16 0.15 1.91 3.86 -1.24 -1.96 115.15 118.54 3kkc h HIS 87 Ca 0.60 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.50 3kkc h HIS 87 Cb 1.30 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.72 3kkc h HIS 87 CO -0.00 0.13 -1.44 0.74 0.86 0.00 0.00 177.93 178.22 3kkc h PHE 88 N 0.17 0.58 0.00 2.45 0.04 -0.50 0.09 116.94 119.77 3kkc h PHE 88 Ca 0.04 -0.42 -0.14 0.00 2.80 0.00 0.00 57.97 60.25 3kkc h PHE 88 Cb 0.03 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3kkc h PHE 88 CO 0.00 1.40 -0.68 1.05 -0.60 0.00 0.00 178.31 179.48 3kkc h GLU 89 N 0.09 0.00 -0.01 1.51 4.11 -1.12 -2.72 114.58 116.43 3kkc h GLU 89 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 3kkc h GLU 89 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3kkc h GLU 89 CO 0.20 0.68 -0.04 1.04 0.07 0.00 0.00 179.01 180.96 3kkc n GLN 90 N -3.60 1.54 -3.58 1.06 1.13 -0.77 -4.96 117.38 108.20 3kkc n GLN 90 Ca -0.00 -0.89 -0.20 0.00 -1.94 0.00 0.00 57.00 53.97 3kkc n GLN 90 Cb 0.70 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.63 3kkc n GLN 90 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3kkc n ASN 91 N 0.04 -1.86 -4.70 1.08 2.85 -0.92 -4.89 115.26 106.87 3kkc n ASN 91 Ca 0.18 -0.72 -0.42 0.00 -0.11 0.00 0.00 54.58 53.51 3kkc n ASN 91 Cb 0.35 -4.58 -0.03 0.00 1.24 0.00 0.00 39.78 36.77 3kkc n ASN 91 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 3kkc s GLN 92 N -5.73 4.21 -1.58 1.20 2.00 -0.03 -2.24 119.66 117.49 3kkc s GLN 92 Ca 0.04 2.32 -0.11 0.00 -2.00 0.00 0.00 55.36 55.61 3kkc s GLN 92 Cb -0.02 -3.45 0.09 0.00 0.80 0.00 0.00 33.01 30.43 3kkc s GLN 92 CO 0.77 -0.68 0.66 -0.25 -0.50 0.00 0.00 175.29 175.29 3kkc n ASP 93 N 5.05 -2.33 -1.42 6.67 9.92 -1.26 -0.94 116.55 132.24 3kkc n ASP 93 Ca 0.15 -0.99 -0.18 0.00 -0.53 0.00 0.00 54.79 53.23 3kkc n ASP 93 Cb 0.40 -2.94 -0.08 0.00 -0.64 0.00 0.00 41.12 37.86 3kkc n ASP 93 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kkc n SER 94 N -2.79 -5.22 -0.10 -2.24 7.64 -0.95 -4.87 113.62 105.10 3kkc n SER 94 Ca -0.07 0.45 0.08 0.00 1.01 0.00 0.00 58.87 60.33 3kkc n SER 94 Cb 0.57 -4.34 0.43 0.00 -1.01 0.00 0.00 64.21 59.85 3kkc n SER 94 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3kkc h ILE 95 N 0.00 1.00 0.08 0.44 -0.00 -1.18 -1.49 117.51 116.35 3kkc h ILE 95 Ca -0.38 -0.20 -0.28 0.00 -0.00 0.00 0.00 64.86 64.00 3kkc h ILE 95 Cb 1.20 0.37 -0.02 0.00 -0.00 0.00 0.00 36.82 38.38 3kkc h ILE 95 CO 0.55 0.10 -1.41 0.00 -0.00 0.00 0.00 178.15 177.39 3kkc h ALA 96 N 1.68 0.33 -0.42 0.18 0.00 -1.83 -2.86 119.26 116.34 3kkc h ALA 96 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3kkc h ALA 96 Cb 0.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kkc h ALA 96 CO -0.07 1.20 0.28 1.15 0.00 0.00 0.00 179.25 181.80 3kkc h THR 97 N 0.05 1.10 -0.53 0.00 2.02 -1.77 -0.54 112.91 113.23 3kkc h THR 97 Ca -0.19 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3kkc h THR 97 Cb 1.96 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 3kkc h THR 97 CO 0.15 0.10 0.19 -0.07 0.37 0.00 0.00 175.52 176.26 3kkc h LEU 98 N 0.56 0.71 -0.46 2.58 -0.00 -1.35 -1.19 115.31 116.17 3kkc h LEU 98 Ca 0.15 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 3kkc h LEU 98 Cb -0.06 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 3kkc h LEU 98 CO -0.04 0.66 -0.02 0.25 -0.00 0.00 0.00 178.44 179.29 3kkc h LEU 99 N 0.77 0.82 -0.69 1.67 5.85 -1.18 -2.97 115.31 119.58 3kkc h LEU 99 Ca 0.18 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3kkc h LEU 99 Cb 0.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3kkc h LEU 99 CO -0.01 0.94 0.00 -0.07 -0.34 0.00 0.00 178.44 178.96 3kkc h LEU 100 N 0.68 0.00 0.00 2.25 4.07 -0.72 -3.31 115.31 118.28 3kkc h LEU 100 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3kkc h LEU 100 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3kkc h LEU 100 CO 0.03 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.85 3kkc n SER 101 N -3.02 0.00 0.00 -0.43 3.41 -0.49 -4.84 113.62 108.25 3kkc n SER 101 Ca 0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3kkc n SER 101 Cb 0.41 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3kkc n SER 101 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kkc n ASP 102 N -1.08 0.00 -4.65 4.04 3.85 -1.25 -4.92 116.55 112.55 3kkc n ASP 102 Ca 0.13 0.00 -0.60 0.00 -0.71 0.00 0.00 54.79 53.60 3kkc n ASP 102 Cb 0.09 -0.41 -0.09 0.00 -1.35 0.00 0.00 41.12 39.37 3kkc n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3kkc n ASP 103 N 0.00 1.85 -0.25 -1.12 2.03 -1.26 -4.83 116.55 112.96 3kkc n ASP 103 Ca 0.00 1.00 -0.02 0.00 0.52 0.00 0.00 54.79 56.30 3kkc n ASP 103 Cb 0.00 -1.05 0.17 0.00 -0.72 0.00 0.00 41.12 39.52 3kkc n ASP 103 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kkc h PRO 104 N 7.26 1.08 -0.02 -0.67 0.11 -1.97 -2.97 132.00 134.81 3kkc h PRO 104 Ca -0.40 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kkc h PRO 104 Cb 1.34 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kkc h PRO 104 CO 0.99 0.78 -0.01 -0.92 -0.21 0.00 0.00 178.00 178.63 3kkc h TYR 105 N 1.09 -0.02 -0.67 0.65 3.20 -1.99 -1.85 116.97 117.37 3kkc h TYR 105 Ca 0.28 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3kkc h TYR 105 Cb 0.00 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3kkc h TYR 105 CO 0.01 -0.02 0.39 0.35 -1.64 0.00 0.00 178.16 177.25 3kkc h PHE 106 N -0.01 0.91 -0.10 -3.82 3.57 -1.91 -2.01 116.94 113.57 3kkc h PHE 106 Ca 0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kkc h PHE 106 Cb 0.03 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 3kkc h PHE 106 CO -0.10 0.63 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.50 3kkc h LEU 107 N 0.92 0.21 -1.86 0.59 3.38 -1.45 0.21 115.31 117.31 3kkc h LEU 107 Ca 0.24 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 58.03 3kkc h LEU 107 Cb 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3kkc h LEU 107 CO -0.04 0.55 0.55 0.25 0.09 0.00 0.00 178.44 179.83 3kkc h LEU 108 N -0.14 0.12 0.21 1.67 5.85 -1.25 0.11 115.31 121.89 3kkc h LEU 108 Ca 0.02 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.41 3kkc h LEU 108 Cb 0.46 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.50 3kkc h LEU 108 CO 0.01 0.05 -1.67 0.03 -0.34 0.00 0.00 178.44 176.53 3kkc h ARG 109 N 0.12 0.45 -0.19 1.25 2.47 -0.85 -2.66 114.38 114.97 3kkc h ARG 109 Ca 0.38 -0.77 -0.10 0.00 -1.26 0.00 0.00 59.98 58.23 3kkc h ARG 109 Cb 1.33 0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 3kkc h ARG 109 CO -0.05 1.37 -0.33 0.35 0.56 0.00 0.00 179.97 181.87 3kkc h PHE 110 N 0.12 0.46 -0.01 3.04 3.57 0.23 -2.56 116.94 121.80 3kkc h PHE 110 Ca -0.32 -0.11 -0.21 0.00 3.53 0.00 0.00 57.97 60.86 3kkc h PHE 110 Cb 2.13 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.76 3kkc h PHE 110 CO 0.11 0.69 -0.89 -0.09 -2.23 0.00 0.00 178.31 175.90 3kkc h ARG 111 N 0.35 0.31 -0.42 1.11 2.43 -0.92 -2.46 114.38 114.77 3kkc h ARG 111 Ca 0.04 -0.33 -0.12 0.00 -0.81 0.00 0.00 59.98 58.77 3kkc h ARG 111 Cb 0.75 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3kkc h ARG 111 CO 0.06 1.02 -0.20 1.03 -1.51 0.00 0.00 179.97 180.37 3kkc h SER 112 N 0.18 0.84 -0.03 -3.80 0.87 -1.29 -2.17 113.55 108.16 3kkc h SER 112 Ca -0.06 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.12 3kkc h SER 112 Cb 1.52 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 3kkc h SER 112 CO 0.15 1.02 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.92 3kkc h GLU 113 N 0.73 0.41 0.00 2.24 4.39 -1.46 -2.22 114.58 118.66 3kkc h GLU 113 Ca 0.10 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 3kkc h GLU 113 Cb 0.72 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3kkc h GLU 113 CO 0.06 0.61 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.07 3kkc h LEU 114 N 0.37 0.00 -0.17 1.33 3.38 -1.11 -1.73 115.31 117.38 3kkc h LEU 114 Ca 0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 3kkc h LEU 114 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3kkc h LEU 114 CO 0.04 0.38 -0.86 -0.08 0.09 0.00 0.00 178.44 178.01 3kkc h GLU 115 N 0.00 0.65 0.06 1.13 4.81 -0.79 0.26 114.58 120.71 3kkc h GLU 115 Ca -0.00 -0.59 -0.31 0.00 -0.13 0.00 0.00 59.36 58.33 3kkc h GLU 115 Cb 0.71 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3kkc h GLU 115 CO 0.05 1.20 -1.70 1.25 -0.73 0.00 0.00 179.01 179.09 3kkc h HIS 116 N 0.42 0.22 0.00 0.92 2.76 -1.43 -3.37 115.15 114.66 3kkc h HIS 116 Ca -0.07 -0.16 -0.15 0.00 -2.20 0.00 0.00 60.37 57.79 3kkc h HIS 116 Cb 1.48 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 3kkc h HIS 116 CO 0.08 1.28 -1.76 -0.25 -1.30 0.00 0.00 177.93 175.97 3kkc n ASP 117 N -3.26 1.98 -0.07 3.26 8.00 -0.66 -4.75 116.55 121.06 3kkc n ASP 117 Ca -0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 3kkc n ASP 117 Cb 1.04 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 43.14 3kkc n ASP 117 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kkc n VAL 118 N -2.29 0.80 -0.18 2.53 0.31 -0.88 -4.75 118.33 113.86 3kkc n VAL 118 Ca -0.14 -0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 63.91 3kkc n VAL 118 Cb 0.72 -1.41 0.03 0.00 -0.91 0.00 0.00 33.84 32.27 3kkc n VAL 118 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3kkc h TYR 119 N -0.31 -0.60 -0.22 3.52 3.20 -0.65 -1.48 116.97 120.43 3kkc h TYR 119 Ca -0.35 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.63 3kkc h TYR 119 Cb 1.39 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 39.93 3kkc h TYR 119 CO -0.02 -0.32 -0.48 -1.35 -1.64 0.00 0.00 178.16 174.35 3kkc h PRO 120 N -0.10 -0.46 -0.35 1.82 0.11 -1.84 0.90 132.00 132.07 3kkc h PRO 120 Ca 0.25 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 3kkc h PRO 120 Cb 0.49 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3kkc h PRO 120 CO -0.61 -0.31 -0.28 0.00 -0.21 0.00 0.00 178.00 176.58 3kkc h ARG 121 N -0.48 0.73 -0.59 1.05 3.08 -1.80 0.27 114.38 116.64 3kkc h ARG 121 Ca 0.07 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3kkc h ARG 121 Cb 0.64 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3kkc h ARG 121 CO -0.47 0.92 0.16 1.25 -1.07 0.00 0.00 179.97 180.77 3kkc h LEU 122 N 0.62 0.83 -0.05 3.04 5.85 -0.92 -1.90 115.31 122.78 3kkc h LEU 122 Ca 0.08 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3kkc h LEU 122 Cb 0.79 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3kkc h LEU 122 CO 0.07 0.80 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.48 3kkc h ARG 123 N 0.86 0.00 0.24 1.25 2.43 -0.54 -2.17 114.38 116.46 3kkc h ARG 123 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3kkc h ARG 123 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3kkc h ARG 123 CO -0.00 0.39 -0.12 1.49 -1.51 0.00 0.00 179.97 180.22 3kkc h GLU 124 N 0.00 -0.32 -0.08 0.20 4.81 -0.47 -2.99 114.58 115.73 3kkc h GLU 124 Ca -0.00 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kkc h GLU 124 Cb 1.28 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3kkc h GLU 124 CO 0.05 0.01 -0.18 0.93 -0.73 0.00 0.00 179.01 179.09 3kkc h GLU 125 N -0.96 0.27 -0.02 1.92 5.08 -1.49 -3.38 114.58 115.99 3kkc h GLU 125 Ca -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3kkc h GLU 125 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kkc h GLU 125 CO 0.06 0.78 -0.17 0.66 -1.00 0.00 0.00 179.01 179.33 3kkc n TYR 126 N -4.56 0.00 -4.21 4.33 4.02 -0.81 -4.80 117.16 111.13 3kkc n TYR 126 Ca -0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.57 3kkc n TYR 126 Cb 0.40 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.54 3kkc n TYR 126 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kkc s ILE 127 N -2.20 0.94 -0.11 -0.72 1.01 -1.13 -1.01 121.20 117.98 3kkc s ILE 127 Ca 0.27 -0.30 0.16 0.00 0.00 0.00 0.00 60.65 60.77 3kkc s ILE 127 Cb 0.20 -0.92 0.25 0.00 0.01 0.00 0.00 42.46 41.99 3kkc s ILE 127 CO 0.41 0.33 1.13 0.35 0.00 0.00 0.00 174.94 177.16 3kkc n THR 128 N 4.36 1.76 -3.63 2.92 -2.24 0.13 -4.66 114.28 112.92 3kkc n THR 128 Ca -0.18 -2.09 -0.14 0.00 -2.27 0.00 0.00 64.05 59.36 3kkc n THR 128 Cb 0.51 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 3kkc n THR 128 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3kkc s LYS 129 N -2.61 0.92 0.00 -0.78 0.00 -1.26 -4.98 119.74 111.02 3kkc s LYS 129 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.11 3kkc s LYS 129 Cb 0.24 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.49 3kkc s LYS 129 CO 0.03 -0.30 0.64 0.28 0.00 0.00 0.00 175.35 176.00 3kkc n VAL 130 N 0.77 0.00 -0.32 1.79 0.31 -1.26 -4.27 118.33 115.35 3kkc n VAL 130 Ca -0.19 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.27 3kkc n VAL 130 Cb 0.58 -0.33 0.28 0.00 -0.91 0.00 0.00 33.84 33.46 3kkc n VAL 130 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3kkc h ASP 131 N 0.02 -0.37 -3.87 4.52 1.82 -2.02 -3.41 116.42 113.10 3kkc h ASP 131 Ca 0.00 0.26 -0.69 0.00 -0.39 0.00 0.00 57.03 56.21 3kkc h ASP 131 Cb 0.33 0.43 -0.21 0.00 0.68 0.00 0.00 39.33 40.56 3kkc h ASP 131 CO 0.00 -0.31 -0.85 -0.63 -1.61 0.00 0.00 179.24 175.84 3kkc s ILE 132 N -5.99 2.40 0.81 2.25 1.01 -1.26 -5.12 121.20 115.30 3kkc s ILE 132 Ca -0.13 -1.69 -0.13 0.00 0.00 0.00 0.00 60.65 58.70 3kkc s ILE 132 Cb 0.28 -2.07 0.09 0.00 0.01 0.00 0.00 42.46 40.77 3kkc s ILE 132 CO 0.77 0.10 1.21 -2.84 0.00 0.00 0.00 174.94 174.18 3kkc s PRO 133 N -2.07 1.59 0.11 2.79 0.02 -1.26 -4.84 135.00 131.35 3kkc s PRO 133 Ca 0.15 1.77 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 3kkc s PRO 133 Cb -0.10 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.53 3kkc s PRO 133 CO 0.07 -2.26 1.35 0.93 -0.33 0.00 0.00 177.00 176.76 3kkc h GLU 134 N -0.94 0.82 -0.72 5.54 3.07 -1.99 -1.06 114.58 119.29 3kkc h GLU 134 Ca -0.46 -0.61 -0.01 0.00 -0.50 0.00 0.00 59.36 57.77 3kkc h GLU 134 Cb 1.30 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 3kkc h GLU 134 CO 0.46 1.23 0.40 0.38 -1.40 0.00 0.00 179.01 180.07 3kkc h ASP 135 N 0.58 0.90 -0.54 1.42 2.03 -2.00 -1.46 116.42 117.36 3kkc h ASP 135 Ca -0.03 -0.10 -0.12 0.00 -0.73 0.00 0.00 57.03 56.06 3kkc h ASP 135 Cb 1.32 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 39.57 3kkc h ASP 135 CO 0.15 0.74 -0.12 0.15 -1.03 0.00 0.00 179.24 179.13 3kkc h PHE 136 N 1.00 1.16 0.60 4.15 3.57 -1.92 -2.19 116.94 123.29 3kkc h PHE 136 Ca 0.25 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kkc h PHE 136 Cb 0.03 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 3kkc h PHE 136 CO -0.00 1.07 -0.35 1.25 -2.23 0.00 0.00 178.31 178.05 3kkc h LEU 137 N 0.92 -0.88 -0.29 0.59 5.85 -1.00 -1.92 115.31 118.57 3kkc h LEU 137 Ca 0.14 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3kkc h LEU 137 Cb 0.69 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 3kkc h LEU 137 CO 0.05 -0.56 -0.25 0.50 -0.34 0.00 0.00 178.44 177.84 3kkc h LYS 138 N -0.89 -0.23 0.01 1.25 3.64 -1.30 -0.26 116.57 118.79 3kkc h LYS 138 Ca -0.07 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3kkc h LYS 138 Cb 0.72 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3kkc h LYS 138 CO 0.08 -0.15 -0.16 0.37 -2.27 0.00 0.00 179.45 177.32 3kkc h GLN 139 N -0.24 -0.27 0.49 1.90 -0.00 -1.36 -2.17 115.11 113.47 3kkc h GLN 139 Ca 0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 3kkc h GLN 139 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 3kkc h GLN 139 CO -0.43 -0.18 -0.34 0.35 0.00 0.00 0.00 178.83 178.24 3kkc h PHE 140 N -0.28 -0.90 0.18 3.99 3.57 -0.83 -1.96 116.94 120.71 3kkc h PHE 140 Ca 0.05 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kkc h PHE 140 Cb 0.34 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3kkc h PHE 140 CO -0.21 -0.51 -0.35 -0.07 -2.23 0.00 0.00 178.31 174.95 3kkc h LEU 141 N -0.81 -0.98 -0.39 0.59 4.07 -1.01 -0.19 115.31 116.58 3kkc h LEU 141 Ca -0.05 0.11 0.06 0.00 0.08 0.00 0.00 57.88 58.07 3kkc h LEU 141 Cb 0.67 0.36 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 3kkc h LEU 141 CO 0.03 -0.45 0.06 -0.07 -1.08 0.00 0.00 178.44 176.94 3kkc h LEU 142 N -0.61 -0.02 -0.62 1.67 4.07 -1.40 -1.13 115.31 117.26 3kkc h LEU 142 Ca 0.01 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 3kkc h LEU 142 Cb 0.62 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 3kkc h LEU 142 CO -0.16 0.02 0.15 0.28 -1.08 0.00 0.00 178.44 177.65 3kkc h SER 143 N 0.18 0.95 0.90 -0.43 0.02 -1.23 -2.21 113.55 111.72 3kkc h SER 143 Ca 0.19 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3kkc h SER 143 Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3kkc h SER 143 CO -0.26 0.94 -0.31 0.77 -1.14 0.00 0.00 176.83 176.82 3kkc h SER 144 N 0.91 0.00 -0.01 3.07 4.64 -0.71 0.12 113.55 121.57 3kkc h SER 144 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3kkc h SER 144 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3kkc h SER 144 CO 0.00 0.31 -0.03 0.15 -0.87 0.00 0.00 176.83 176.39 3kkc h PHE 145 N 0.00 0.05 -0.19 4.77 3.57 -1.06 -2.45 116.94 121.63 3kkc h PHE 145 Ca -0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kkc h PHE 145 Cb 0.84 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3kkc h PHE 145 CO 0.00 0.65 0.06 0.82 -2.23 0.00 0.00 178.31 177.61 3kkc h ILE 146 N -0.56 0.95 0.00 1.41 2.04 -1.26 -0.92 117.51 119.17 3kkc h ILE 146 Ca -0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kkc h ILE 146 Cb 0.65 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3kkc h ILE 146 CO 0.01 0.03 -0.23 -0.33 0.00 0.00 0.00 178.15 177.62 3kkc h GLU 147 N 0.15 0.00 0.11 2.37 4.39 -0.83 -0.48 114.58 120.29 3kkc h GLU 147 Ca 0.08 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.50 3kkc h GLU 147 Cb 0.06 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3kkc h GLU 147 CO -0.09 0.23 -1.21 1.15 -1.16 0.00 0.00 179.01 177.93 3kkc h THR 148 N 0.00 1.34 0.09 1.13 2.02 -1.28 -2.05 112.91 114.16 3kkc h THR 148 Ca -0.00 -2.59 0.02 0.00 0.77 0.00 0.00 66.41 64.61 3kkc h THR 148 Cb 0.61 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 3kkc h THR 148 CO 0.03 0.78 -0.22 0.25 0.37 0.00 0.00 175.52 176.73 3kkc h LEU 149 N 0.22 -0.63 0.23 2.58 5.85 -0.27 -1.68 115.31 121.62 3kkc h LEU 149 Ca -0.17 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kkc h LEU 149 Cb 1.89 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 3kkc h LEU 149 CO 0.22 -0.30 -0.16 0.11 -0.34 0.00 0.00 178.44 177.97 3kkc h LYS 150 N -0.40 -0.37 -0.80 1.25 1.57 -1.17 -2.34 116.57 114.31 3kkc h LYS 150 Ca 0.03 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 3kkc h LYS 150 Cb 0.43 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 3kkc h LYS 150 CO -0.14 -0.25 0.53 2.35 -0.57 0.00 0.00 179.45 181.37 3kkc h TRP 151 N -0.39 0.64 -0.25 -1.35 7.01 -1.30 -0.89 115.95 119.42 3kkc h TRP 151 Ca -0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 3kkc h TRP 151 Cb 0.33 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3kkc h TRP 151 CO -0.10 0.25 -0.03 2.35 -2.79 0.00 0.00 178.44 178.12 3kkc h TRP 152 N 0.56 0.51 0.00 2.65 7.01 -0.79 -2.93 115.95 122.96 3kkc h TRP 152 Ca 0.39 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.27 3kkc h TRP 152 Cb 0.73 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.66 3kkc h TRP 152 CO -0.00 0.66 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.14 3kkc h LEU 153 N 0.22 0.00 -0.03 0.65 3.38 -0.71 -1.39 115.31 117.43 3kkc h LEU 153 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kkc h LEU 153 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kkc h LEU 153 CO 0.02 0.10 0.00 1.41 0.09 0.00 0.00 178.44 180.06 3kkc n HIS 154 N -4.37 0.19 -2.30 1.13 8.25 -1.03 -4.76 115.22 112.34 3kkc n HIS 154 Ca -0.03 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3kkc n HIS 154 Cb 0.18 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 3kkc n HIS 154 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kkc s GLN 155 N -3.03 4.26 0.03 -0.41 -1.52 -0.53 -4.93 119.66 113.52 3kkc s GLN 155 Ca 0.12 1.85 -0.09 0.00 -1.95 0.00 0.00 55.36 55.29 3kkc s GLN 155 Cb 0.16 -3.71 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 3kkc s GLN 155 CO 0.49 -0.65 1.14 -0.09 -0.25 0.00 0.00 175.29 175.93 3kkc h ARG 156 N 8.21 -0.19 -5.61 2.91 1.12 -1.88 -3.26 114.38 115.69 3kkc h ARG 156 Ca -0.33 0.01 -0.63 0.00 -1.11 0.00 0.00 59.98 57.92 3kkc h ARG 156 Cb 1.15 0.04 -0.14 0.00 -0.01 0.00 0.00 29.97 31.01 3kkc h ARG 156 CO 0.93 -0.12 0.45 -0.65 -3.11 0.00 0.00 179.97 177.46 3kkc s GLN 157 N -3.69 3.26 0.00 0.20 -0.21 -1.26 -5.18 119.66 112.77 3kkc s GLN 157 Ca -0.04 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.87 3kkc s GLN 157 Cb 0.01 -4.08 0.00 0.00 1.00 0.00 0.00 33.01 29.94 3kkc s GLN 157 CO 0.15 -1.46 0.00 0.36 -2.12 0.00 0.00 175.29 172.22 3kkc n LYS 158 N 7.20 1.82 -4.29 2.91 -0.00 -1.23 -5.16 118.16 119.40 3kkc n LYS 158 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 3kkc n LYS 158 Cb 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.40 3kkc n LYS 158 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kkc s THR 160 N 0.00 4.42 0.13 0.58 -4.23 -1.26 -5.10 115.64 110.18 3kkc s THR 160 Ca 0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3kkc s THR 160 Cb 0.00 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 71.12 3kkc s THR 160 CO 0.00 0.57 0.79 0.52 -0.54 0.00 0.00 174.62 175.96 3kkc n VAL 161 N 2.52 -0.24 0.04 2.29 0.31 -1.26 -0.67 118.33 121.32 3kkc n VAL 161 Ca -0.18 1.17 -0.12 0.00 -0.01 0.00 0.00 64.34 65.19 3kkc n VAL 161 Cb 0.53 -1.58 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 3kkc n VAL 161 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kkc h GLU 162 N 0.00 -0.02 -0.30 5.55 3.07 -2.00 -2.61 114.58 118.27 3kkc h GLU 162 Ca 0.21 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.00 3kkc h GLU 162 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3kkc h GLU 162 CO -0.51 0.08 -0.08 -0.44 -1.40 0.00 0.00 179.01 176.66 3kkc h ASP 163 N -0.11 0.58 -0.66 1.42 5.19 -1.65 -2.51 116.42 118.67 3kkc h ASP 163 Ca -0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3kkc h ASP 163 Cb 0.11 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 3kkc h ASP 163 CO 0.00 0.81 0.43 0.25 -3.12 0.00 0.00 179.24 177.62 3kkc h LEU 164 N 0.34 0.77 -1.37 1.55 5.85 -0.89 0.17 115.31 121.74 3kkc h LEU 164 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3kkc h LEU 164 Cb 0.56 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kkc h LEU 164 CO 0.03 0.57 -0.31 0.25 -0.34 0.00 0.00 178.44 178.65 3kkc h LEU 165 N 0.90 0.00 -0.09 2.25 5.85 -1.45 -1.05 115.31 121.72 3kkc h LEU 165 Ca 0.24 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3kkc h LEU 165 Cb -0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3kkc h LEU 165 CO -0.05 0.31 -0.40 0.50 -0.34 0.00 0.00 178.44 178.46 3kkc h LYS 166 N 0.00 0.43 -0.01 1.25 3.64 -0.54 -2.26 116.57 119.08 3kkc h LYS 166 Ca -0.00 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 3kkc h LYS 166 Cb 0.60 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3kkc h LYS 166 CO 0.04 0.98 -0.44 1.88 -2.27 0.00 0.00 179.45 179.63 3kkc h TYR 167 N -0.01 0.03 0.05 1.91 0.05 -0.64 -2.21 116.97 116.15 3kkc h TYR 167 Ca -0.02 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3kkc h TYR 167 Cb 1.04 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3kkc h TYR 167 CO 0.12 0.46 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.75 3kkc h TYR 168 N 0.02 -0.07 -0.89 4.88 3.20 -1.17 -3.25 116.97 119.69 3kkc h TYR 168 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3kkc h TYR 168 Cb 0.79 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3kkc h TYR 168 CO 0.00 0.25 0.47 -0.07 -1.64 0.00 0.00 178.16 177.17 3kkc h LEU 169 N -0.39 1.13 -4.08 2.82 3.38 -1.24 -3.05 115.31 113.87 3kkc h LEU 169 Ca -0.01 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3kkc h LEU 169 Cb 0.35 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3kkc h LEU 169 CO 0.01 0.92 -0.13 0.35 0.09 0.00 0.00 178.44 179.67 3kkc n THR 170 N -4.32 2.10 0.00 0.22 -2.24 -0.84 -0.82 114.28 108.38 3kkc n THR 170 Ca 0.09 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3kkc n THR 170 Cb 0.11 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 3kkc n THR 170 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3kkc n VAL 172 N 2.46 0.00 -1.27 2.28 0.24 -1.15 -5.06 118.33 115.82 3kkc n VAL 172 Ca 0.26 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.15 3kkc n VAL 172 Cb 0.63 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.99 3kkc n VAL 172 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kkc n GLU 173 N 0.00 0.00 0.00 7.34 1.02 -0.00 -4.86 120.64 124.14 3kkc n GLU 173 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kkc n GLU 173 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3kkc n GLU 173 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20