#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkc n ASN -1 N 0.00 0.64 -1.54 -3.46 6.94 -1.26 -1.63 115.26 114.95 3kkc n ASN -1 Ca 0.00 -0.10 -0.09 0.00 -0.02 0.00 0.00 54.58 54.37 3kkc n ASN -1 Cb 0.00 0.60 0.05 0.00 -2.36 0.00 0.00 39.78 38.07 3kkc n ASN -1 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kkc n ALA 0 N -1.83 3.99 0.00 -2.53 0.00 -1.26 -1.79 120.51 117.09 3kkc n ALA 0 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3kkc n ALA 0 Cb 0.44 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.25 0.00 0.07 0.00 0.31 -0.65 -1.50 118.33 116.82 3kkc n VAL 2 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 3kkc n VAL 2 Cb 0.76 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.60 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 -0.18 -0.33 5.55 1.57 -1.64 -2.20 116.57 119.34 3kkc h LYS 3 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3kkc h LYS 3 Cb 0.00 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 3kkc h LYS 3 CO 0.00 0.15 -0.21 0.22 -0.57 0.00 0.00 179.45 179.03 3kkc h ASP 4 N -0.54 -0.71 -0.94 0.86 3.58 -1.56 -0.37 116.42 116.74 3kkc h ASP 4 Ca -0.02 0.15 0.20 0.00 0.42 0.00 0.00 57.03 57.77 3kkc h ASP 4 Cb 0.42 0.36 -0.08 0.00 1.72 0.00 0.00 39.33 41.75 3kkc h ASP 4 CO 0.03 -0.25 0.61 0.03 -2.88 0.00 0.00 179.24 176.78 3kkc h ARG 5 N -0.18 0.53 -0.06 0.28 3.08 -1.78 -0.10 114.38 116.16 3kkc h ARG 5 Ca 0.17 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 3kkc h ARG 5 Cb 0.43 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3kkc h ARG 5 CO -0.43 0.35 -0.88 1.96 -1.07 0.00 0.00 179.97 179.90 3kkc h GLN 6 N 0.55 0.59 0.53 0.04 1.08 -0.57 -2.43 115.11 114.90 3kkc h GLN 6 Ca 0.51 -0.56 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3kkc h GLN 6 Cb 1.06 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 3kkc h GLN 6 CO -0.25 1.18 -0.48 0.82 -0.95 0.00 0.00 178.83 179.15 3kkc h ILE 7 N 0.37 0.05 -0.92 2.54 1.08 0.08 -2.34 117.51 118.37 3kkc h ILE 7 Ca -0.08 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.57 3kkc h ILE 7 Cb 1.51 0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 35.21 3kkc h ILE 7 CO 0.17 0.00 0.50 1.56 -0.69 0.00 0.00 178.15 179.68 3kkc h GLN 8 N -1.00 0.62 -0.22 2.37 7.50 -1.12 -0.00 115.11 123.27 3kkc h GLN 8 Ca -0.06 -0.04 -0.14 0.00 0.50 0.00 0.00 58.65 58.91 3kkc h GLN 8 Cb 0.86 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.24 3kkc h GLN 8 CO -0.04 0.41 -0.43 -0.22 -1.50 0.00 0.00 178.83 177.05 3kkc h LYS 9 N 0.64 0.53 -0.03 1.46 3.11 -1.28 -2.27 116.57 118.72 3kkc h LYS 9 Ca 0.52 -0.28 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 3kkc h LYS 9 Cb 0.82 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 3kkc h LYS 9 CO -0.40 0.86 -0.03 1.15 -2.81 0.00 0.00 179.45 178.22 3kkc h THR 10 N 0.43 1.37 -0.34 1.00 2.02 -0.77 -1.70 112.91 114.92 3kkc h THR 10 Ca 0.03 -1.16 0.07 0.00 0.77 0.00 0.00 66.41 66.13 3kkc h THR 10 Cb 0.93 2.08 -0.07 0.00 -1.74 0.00 0.00 68.15 69.35 3kkc h THR 10 CO 0.08 0.31 -0.12 0.11 0.37 0.00 0.00 175.52 176.27 3kkc h LYS 11 N -0.37 -0.05 0.00 6.66 1.57 -0.93 -0.76 116.57 122.70 3kkc h LYS 11 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3kkc h LYS 11 Cb 0.52 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3kkc h LYS 11 CO 0.01 -0.03 -0.57 -0.39 -0.57 0.00 0.00 179.45 177.90 3kkc h VAL 12 N -0.05 1.19 -1.01 0.50 -1.51 -1.47 -1.76 116.25 112.15 3kkc h VAL 12 Ca 0.17 -2.11 0.07 0.00 -1.23 0.00 0.00 66.70 63.60 3kkc h VAL 12 Cb 0.31 2.21 -0.07 0.00 -2.13 0.00 0.00 31.29 31.61 3kkc h VAL 12 CO -0.38 0.56 0.65 0.00 -1.23 0.00 0.00 177.57 177.17 3kkc h ALA 13 N 1.43 1.41 -0.02 5.19 0.00 -0.21 0.28 119.26 127.34 3kkc h ALA 13 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kkc h ALA 13 Cb 1.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kkc h ALA 13 CO 0.07 0.44 -0.03 0.82 0.00 0.00 0.00 179.25 180.55 3kkc h ILE 14 N 1.17 1.41 -0.82 0.00 2.04 -1.01 -2.76 117.51 117.54 3kkc h ILE 14 Ca 0.44 -1.25 0.15 0.00 1.00 0.00 0.00 64.86 65.19 3kkc h ILE 14 Cb 0.18 2.20 -0.09 0.00 -0.74 0.00 0.00 36.82 38.37 3kkc h ILE 14 CO -0.18 0.33 0.39 0.22 0.00 0.00 0.00 178.15 178.92 3kkc h TYR 15 N -0.44 0.68 -0.28 1.37 3.20 -0.86 0.75 116.97 121.39 3kkc h TYR 15 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3kkc h TYR 15 Cb 0.55 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3kkc h TYR 15 CO 0.10 0.14 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.81 3kkc h ASN 16 N 0.56 0.53 -0.51 -2.11 2.35 -0.50 -2.18 115.58 113.72 3kkc h ASN 16 Ca 0.45 -0.35 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 3kkc h ASN 16 Cb 0.65 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.80 3kkc h ASN 16 CO -0.38 0.75 0.08 0.00 -1.65 0.00 0.00 177.43 176.23 3kkc h ALA 17 N 0.80 0.55 0.01 -0.83 0.00 -1.03 0.39 119.26 119.14 3kkc h ALA 17 Ca 0.07 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kkc h ALA 17 Cb 0.50 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3kkc h ALA 17 CO 0.02 -0.33 -0.13 0.35 0.00 0.00 0.00 179.25 179.17 3kkc h PHE 18 N 0.21 -0.32 -0.52 0.00 3.57 -0.67 0.93 116.94 120.13 3kkc h PHE 18 Ca 0.26 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.86 3kkc h PHE 18 Cb 0.36 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3kkc h PHE 18 CO -0.25 -0.19 0.11 0.82 -2.23 0.00 0.00 178.31 176.57 3kkc h ILE 19 N -0.22 0.72 -0.01 1.41 2.04 -1.15 -2.02 117.51 118.27 3kkc h ILE 19 Ca 0.04 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kkc h ILE 19 Cb 0.27 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3kkc h ILE 19 CO -0.12 0.05 -0.07 -1.28 0.00 0.00 0.00 178.15 176.73 3kkc h SER 20 N 0.25 -0.21 -0.49 1.72 0.87 0.16 -1.57 113.55 114.28 3kkc h SER 20 Ca 0.26 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.96 3kkc h SER 20 Cb 0.35 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3kkc h SER 20 CO -0.33 -0.11 0.34 -0.07 -0.53 0.00 0.00 176.83 176.13 3kkc h LEU 21 N -0.12 0.20 -0.58 2.23 3.38 -0.64 -1.35 115.31 118.42 3kkc h LEU 21 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kkc h LEU 21 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kkc h LEU 21 CO -0.08 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.75 3kkc n LEU 22 N -4.45 0.70 0.25 1.67 4.32 -0.61 -2.98 117.00 115.90 3kkc n LEU 22 Ca 0.08 0.65 0.13 0.00 -0.02 0.00 0.00 56.01 56.85 3kkc n LEU 22 Cb 0.41 -0.53 0.65 0.00 -1.62 0.00 0.00 43.42 42.32 3kkc n LEU 22 CO 0.35 -0.50 0.92 -0.61 -1.22 0.00 0.00 177.39 176.34 3kkc h GLN 23 N 0.00 0.00 0.00 3.23 4.15 -1.02 -3.42 115.11 118.05 3kkc h GLN 23 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kkc h GLN 23 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3kkc h GLN 23 CO 0.00 0.13 0.00 0.39 -1.93 0.00 0.00 178.83 177.42 3kkc n GLU 24 N -3.40 0.00 -1.23 1.69 -0.58 -1.17 -4.94 120.64 111.01 3kkc n GLU 24 Ca -0.01 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.37 3kkc n GLU 24 Cb 0.31 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.26 3kkc n GLU 24 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kkc n ASN 25 N -0.63 -1.31 -4.84 1.62 5.03 -1.16 -5.02 115.26 108.95 3kkc n ASN 25 Ca 0.00 0.57 -0.21 0.00 0.87 0.00 0.00 54.58 55.81 3kkc n ASN 25 Cb 0.00 -1.21 -0.04 0.00 -1.02 0.00 0.00 39.78 37.51 3kkc n ASN 25 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3kkc s ASP 26 N -1.50 5.07 0.20 6.41 1.47 -1.26 -4.24 116.67 122.82 3kkc s ASP 26 Ca 0.65 -0.66 -0.12 0.00 1.18 0.00 0.00 52.55 53.59 3kkc s ASP 26 Cb -0.34 -0.75 0.25 0.00 -0.34 0.00 0.00 42.92 41.73 3kkc s ASP 26 CO 0.59 -0.48 1.66 0.22 0.68 0.00 0.00 175.17 177.84 3kkc h TYR 27 N 1.21 -0.12 0.00 2.11 3.20 -1.94 -1.23 116.97 120.21 3kkc h TYR 27 Ca -0.43 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 3kkc h TYR 27 Cb 1.26 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.67 3kkc h TYR 27 CO 0.54 -0.18 -0.01 0.66 -1.64 0.00 0.00 178.16 177.54 3kkc h SER 28 N 0.08 0.00 -0.26 -2.11 4.64 -1.99 -2.70 113.55 111.21 3kkc h SER 28 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3kkc h SER 28 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kkc h SER 28 CO -0.52 0.01 0.00 1.17 -0.87 0.00 0.00 176.83 176.61 3kkc n LYS 29 N -3.11 2.38 -3.64 4.77 4.81 -0.47 -4.95 118.16 117.96 3kkc n LYS 29 Ca -0.01 -2.06 -0.36 0.00 -0.87 0.00 0.00 58.31 55.01 3kkc n LYS 29 Cb 0.20 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.70 3kkc n LYS 29 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3kkc s ILE 30 N -1.68 5.18 0.30 3.15 1.01 -1.02 -4.94 121.20 123.19 3kkc s ILE 30 Ca 0.35 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.51 3kkc s ILE 30 Cb 0.22 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 3kkc s ILE 30 CO 0.31 0.41 -0.03 0.42 0.00 0.00 0.00 174.94 176.05 3kkc s THR 31 N -1.26 1.57 0.25 2.92 -4.23 -1.26 -5.04 115.64 108.59 3kkc s THR 31 Ca 0.27 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 3kkc s THR 31 Cb -0.14 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.37 3kkc s THR 31 CO 0.15 -0.22 1.88 0.58 -0.54 0.00 0.00 174.62 176.47 3kkc h VAL 32 N 2.22 1.25 -0.44 2.29 2.07 -1.99 -1.63 116.25 120.01 3kkc h VAL 32 Ca -0.40 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 66.61 3kkc h VAL 32 Cb 1.24 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 3kkc h VAL 32 CO 0.69 0.27 -0.42 1.56 0.02 0.00 0.00 177.57 179.69 3kkc h GLN 33 N 1.26 -0.29 -0.40 1.57 4.20 -1.98 0.21 115.11 119.67 3kkc h GLN 33 Ca 0.32 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.95 3kkc h GLN 33 Cb -0.02 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3kkc h GLN 33 CO -0.06 -0.19 -0.17 -0.44 -0.67 0.00 0.00 178.83 177.30 3kkc h ASP 34 N -0.30 0.75 -0.47 1.46 3.32 -1.83 0.23 116.42 119.58 3kkc h ASP 34 Ca 0.15 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3kkc h ASP 34 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3kkc h ASP 34 CO -0.59 0.92 -0.08 0.58 -1.72 0.00 0.00 179.24 178.35 3kkc h VAL 35 N 0.67 1.27 0.00 -1.35 2.07 -1.06 -2.67 116.25 115.18 3kkc h VAL 35 Ca 0.10 -1.18 -0.20 0.00 0.82 0.00 0.00 66.70 66.24 3kkc h VAL 35 Cb 0.66 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3kkc h VAL 35 CO 0.05 0.41 -0.97 0.16 0.02 0.00 0.00 177.57 177.24 3kkc h ILE 36 N 0.72 1.69 -0.74 4.57 3.07 -0.73 0.18 117.51 126.26 3kkc h ILE 36 Ca 0.12 -3.30 0.01 0.00 1.55 0.00 0.00 64.86 63.24 3kkc h ILE 36 Cb 0.61 2.78 -0.04 0.00 -0.27 0.00 0.00 36.82 39.91 3kkc h ILE 36 CO 0.04 0.94 0.49 1.23 -1.05 0.00 0.00 178.15 179.80 3kkc h GLY 37 N 2.87 1.05 1.18 0.16 0.00 -0.95 0.31 103.07 107.69 3kkc h GLY 37 Ca -0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 47.33 46.59 3kkc h GLY 37 CO 0.13 0.37 -1.53 -2.00 0.00 0.00 0.00 176.54 173.51 3kkc h LEU 38 N 1.00 0.81 0.00 3.11 6.46 -1.37 -3.18 115.31 122.14 3kkc h LEU 38 Ca 0.27 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 3kkc h LEU 38 Cb -0.10 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.56 3kkc h LEU 38 CO -0.06 1.73 0.00 0.00 -0.62 0.00 0.00 178.44 179.48 3kkc n ALA 39 N -2.75 2.20 -3.63 1.25 0.00 0.61 -4.92 120.51 113.27 3kkc n ALA 39 Ca -0.18 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 3kkc n ALA 39 Cb 1.10 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.31 -5.54 -4.08 0.00 5.15 1.00 -4.80 115.26 105.68 3kkc n ASN 40 Ca 0.11 -0.93 -0.08 0.00 -0.60 0.00 0.00 54.58 53.08 3kkc n ASN 40 Cb 0.20 -3.42 -0.10 0.00 -0.53 0.00 0.00 39.78 35.93 3kkc n ASN 40 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kkc s VAL 41 N -3.38 0.19 0.47 3.44 1.01 -0.63 -5.04 120.40 116.47 3kkc s VAL 41 Ca 0.40 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.41 3kkc s VAL 41 Cb -0.14 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3kkc s VAL 41 CO 0.85 -0.88 0.97 -0.83 0.00 0.00 0.00 175.10 175.21 3kkc s GLY 42 N -2.94 2.26 0.31 4.51 0.00 -1.26 -4.68 107.32 105.52 3kkc s GLY 42 Ca 0.10 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3kkc s GLY 42 CO -0.08 0.61 1.90 3.21 0.00 0.00 0.00 173.10 178.74 3kkc h ARG 43 N 1.47 0.82 -0.42 2.90 3.08 -1.98 0.46 114.38 120.73 3kkc h ARG 43 Ca -0.48 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.39 3kkc h ARG 43 Cb 1.18 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3kkc h ARG 43 CO 0.61 0.66 -0.01 0.66 -1.07 0.00 0.00 179.97 180.82 3kkc h SER 44 N 0.82 0.65 -0.01 7.04 4.64 -1.99 -2.26 113.55 122.43 3kkc h SER 44 Ca 0.20 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 3kkc h SER 44 Cb 0.14 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3kkc h SER 44 CO -0.02 0.72 -0.61 0.00 -0.87 0.00 0.00 176.83 176.05 3kkc h THR 45 N 0.64 1.41 -1.01 2.95 1.03 -1.77 -2.60 112.91 113.56 3kkc h THR 45 Ca 0.13 -2.05 0.26 0.00 -0.01 0.00 0.00 66.41 64.73 3kkc h THR 45 Cb 0.42 2.53 -0.08 0.00 -1.07 0.00 0.00 68.15 69.95 3kkc h THR 45 CO 0.02 0.60 0.67 0.15 -0.01 0.00 0.00 175.52 176.95 3kkc h PHE 46 N -0.05 0.56 0.00 0.00 3.57 -0.74 -1.56 116.94 118.71 3kkc h PHE 46 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3kkc h PHE 46 Cb 1.31 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.89 3kkc h PHE 46 CO 0.14 0.08 -0.43 1.88 -2.23 0.00 0.00 178.31 177.75 3kkc h TYR 47 N 0.36 0.00 -0.00 0.41 0.05 -1.18 -0.89 116.97 115.72 3kkc h TYR 47 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.34 3kkc h TYR 47 Cb 1.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.23 3kkc h TYR 47 CO -0.00 0.00 -0.08 -1.13 -1.05 0.00 0.00 178.16 175.90 3kkc n SER 48 N -2.79 0.11 -0.11 3.88 3.41 -0.61 -3.77 113.62 113.74 3kkc n SER 48 Ca 0.03 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 3kkc n SER 48 Cb 0.52 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.42 0.00 -4.01 7.33 8.25 -1.09 -5.01 115.22 119.27 3kkc n HIS 49 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 3kkc n HIS 49 Cb 0.32 -0.82 -0.17 0.00 1.12 0.00 0.00 29.99 30.44 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 -2.43 0.64 0.49 4.41 2.02 -0.36 -5.01 117.35 117.12 3kkc s TYR 50 Ca -0.29 -0.16 0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3kkc s TYR 50 Cb 0.07 -0.65 1.28 0.00 -0.40 0.00 0.00 41.96 42.26 3kkc s TYR 50 CO 0.49 -0.21 1.95 1.49 -1.57 0.00 0.00 175.55 177.69 3kkc h GLU 51 N 7.49 0.15 0.00 -0.62 4.22 -1.85 -3.38 114.58 120.59 3kkc h GLU 51 Ca -0.34 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.09 3kkc h GLU 51 Cb 1.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kkc h GLU 51 CO 0.42 0.10 0.00 -1.13 -2.18 0.00 0.00 179.01 176.22 3kkc n SER 52 N -4.40 0.00 0.00 1.04 3.41 -1.26 -4.98 113.62 107.43 3kkc n SER 52 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.82 3kkc n SER 52 Cb 0.64 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.01 3kkc n SER 52 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3kkc n LYS 53 N -0.02 0.20 0.11 4.33 2.85 -1.26 -2.72 118.16 121.64 3kkc n LYS 53 Ca 0.00 0.14 -0.24 0.00 -1.05 0.00 0.00 58.31 57.16 3kkc n LYS 53 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 3kkc n LYS 53 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3kkc h GLU 54 N 0.00 0.46 0.00 -1.58 4.57 -1.98 -2.92 114.58 113.13 3kkc h GLU 54 Ca 0.00 -0.79 -0.00 0.00 -1.18 0.00 0.00 59.36 57.39 3kkc h GLU 54 Cb 0.18 0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3kkc h GLU 54 CO 0.00 1.38 -0.01 -0.39 -1.18 0.00 0.00 179.01 178.81 3kkc h VAL 55 N 0.11 0.04 -0.03 0.32 -1.51 -1.91 0.99 116.25 114.26 3kkc h VAL 55 Ca -0.30 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 3kkc h VAL 55 Cb 2.12 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 32.63 3kkc h VAL 55 CO 0.22 0.01 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.46 3kkc h LEU 56 N 0.00 0.09 -0.92 4.19 3.38 -1.63 -1.71 115.31 118.72 3kkc h LEU 56 Ca -0.00 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.49 3kkc h LEU 56 Cb 0.35 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3kkc h LEU 56 CO 0.00 0.60 0.59 0.25 0.09 0.00 0.00 178.44 179.97 3kkc h LEU 57 N -0.41 0.97 0.20 1.67 5.85 -1.22 0.42 115.31 122.79 3kkc h LEU 57 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kkc h LEU 57 Cb 0.57 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3kkc h LEU 57 CO 0.01 0.65 -0.14 0.50 -0.34 0.00 0.00 178.44 179.12 3kkc h LYS 58 N 1.13 -0.32 -0.68 1.25 3.64 -0.79 -1.34 116.57 119.45 3kkc h LYS 58 Ca 0.38 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.86 3kkc h LYS 58 Cb 0.05 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3kkc h LYS 58 CO -0.14 -0.21 0.35 0.93 -2.27 0.00 0.00 179.45 178.12 3kkc h GLU 59 N -0.33 0.61 -0.95 1.90 5.08 -1.10 0.22 114.58 120.01 3kkc h GLU 59 Ca -0.03 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3kkc h GLU 59 Cb 0.27 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 3kkc h GLU 59 CO 0.01 0.40 0.60 1.25 -1.00 0.00 0.00 179.01 180.28 3kkc h LEU 60 N 0.62 0.80 -0.19 1.33 5.85 -0.09 -2.03 115.31 121.60 3kkc h LEU 60 Ca 0.32 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 3kkc h LEU 60 Cb 0.29 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3kkc h LEU 60 CO -0.23 0.42 -0.44 0.00 -0.34 0.00 0.00 178.44 177.85 3kkc h GLU 62 N 0.32 0.62 -0.00 0.00 5.08 -0.92 -2.91 114.58 116.77 3kkc h GLU 62 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kkc h GLU 62 Cb 1.05 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 3kkc h GLU 62 CO 0.10 0.41 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.07 3kkc h ASP 63 N 0.64 0.01 -0.32 1.42 3.32 -1.14 -2.32 116.42 118.02 3kkc h ASP 63 Ca 0.17 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3kkc h ASP 63 Cb -0.07 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3kkc h ASP 63 CO -0.04 0.52 0.07 -0.07 -1.72 0.00 0.00 179.24 178.00 3kkc h LEU 64 N -0.50 0.57 0.18 1.55 4.07 -1.19 -2.13 115.31 117.86 3kkc h LEU 64 Ca 0.00 -0.10 -0.35 0.00 0.08 0.00 0.00 57.88 57.52 3kkc h LEU 64 Cb 0.51 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.11 3kkc h LEU 64 CO 0.00 0.60 -1.73 -0.26 -1.08 0.00 0.00 178.44 175.97 3kkc h PHE 65 N 0.60 0.69 -0.40 1.13 0.04 -1.57 0.11 116.94 117.54 3kkc h PHE 65 Ca 0.13 -0.50 0.08 0.00 2.80 0.00 0.00 57.97 60.49 3kkc h PHE 65 Cb 0.28 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.31 3kkc h PHE 65 CO 0.01 1.68 -0.19 1.25 -0.60 0.00 0.00 178.31 180.46 3kkc h HIS 66 N 0.06 -0.47 0.84 -0.55 2.76 -1.38 0.61 115.15 117.03 3kkc h HIS 66 Ca -0.35 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.83 3kkc h HIS 66 Cb 2.06 0.27 0.00 0.00 1.55 0.00 0.00 27.41 31.29 3kkc h HIS 66 CO 0.10 -0.27 -0.44 1.25 -1.30 0.00 0.00 177.93 177.27 3kkc h HIS 67 N -0.11 -1.16 -0.12 5.26 -0.00 -1.38 -3.04 115.15 114.60 3kkc h HIS 67 Ca 0.20 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3kkc h HIS 67 Cb 0.42 0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 3kkc h HIS 67 CO -0.43 -0.69 -0.04 -0.07 -0.00 0.00 0.00 177.93 176.69 3kkc h LEU 68 N -1.18 -0.15 0.00 0.26 3.38 -0.41 -3.40 115.31 113.80 3kkc h LEU 68 Ca -0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kkc h LEU 68 Cb 0.92 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kkc h LEU 68 CO 0.16 -0.06 0.00 0.49 0.09 0.00 0.00 178.44 179.12 3kkc n PHE 69 N -5.17 0.00 0.00 1.13 3.72 0.21 -4.74 117.46 112.60 3kkc n PHE 69 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3kkc n PHE 69 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3kkc n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kkc n LYS 70 N -0.31 0.00 -2.33 -1.08 4.76 -1.16 -4.67 118.16 113.37 3kkc n LYS 70 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3kkc n LYS 70 Cb 0.00 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3kkc n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3kkc s GLN 71 N -1.04 4.34 -0.09 1.97 -1.52 -1.19 -4.90 119.66 117.22 3kkc s GLN 71 Ca 0.00 1.84 -0.00 0.00 -1.95 0.00 0.00 55.36 55.25 3kkc s GLN 71 Cb 0.00 -3.48 0.07 0.00 -0.22 0.00 0.00 33.01 29.38 3kkc s GLN 71 CO 0.00 -0.45 1.95 0.41 -0.25 0.00 0.00 175.29 176.95 3kkc n GLY 72 N 3.44 2.95 3.77 3.09 0.00 -1.26 -4.92 105.19 112.25 3kkc n GLY 72 Ca 0.11 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3kkc n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kkc s ARG 73 N -0.55 3.70 -1.31 1.61 0.52 -1.26 -4.91 118.95 116.75 3kkc s ARG 73 Ca 0.09 1.92 -0.06 0.00 -0.52 0.00 0.00 55.73 57.16 3kkc s ARG 73 Cb 0.07 -2.45 0.13 0.00 0.52 0.00 0.00 34.95 33.22 3kkc s ARG 73 CO -0.00 -0.64 2.27 -3.47 0.02 0.00 0.00 175.30 173.47 3kkc n ASP 74 N -0.45 7.41 -4.65 0.23 -0.08 -1.26 -4.92 116.55 112.84 3kkc n ASP 74 Ca 0.07 -3.14 -0.25 0.00 -1.51 0.00 0.00 54.79 49.97 3kkc n ASP 74 Cb 0.47 -1.38 -0.08 0.00 2.34 0.00 0.00 41.12 42.46 3kkc n ASP 74 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3kkc s VAL 75 N -0.85 2.61 0.39 5.18 -7.23 -1.26 -5.14 120.40 114.09 3kkc s VAL 75 Ca 0.51 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.59 3kkc s VAL 75 Cb 0.16 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 3kkc s VAL 75 CO -0.07 -0.17 0.82 0.42 -0.31 0.00 0.00 175.10 175.78 3kkc s THR 76 N -2.53 4.63 0.35 5.32 -4.23 -1.26 -4.87 115.64 113.05 3kkc s THR 76 Ca 0.35 1.02 0.13 0.00 -1.18 0.00 0.00 61.69 62.01 3kkc s THR 76 Cb 0.00 -3.65 0.38 0.00 1.34 0.00 0.00 72.50 70.58 3kkc s THR 76 CO 0.20 -0.35 1.57 0.33 -0.54 0.00 0.00 174.62 175.83 3kkc n PHE 77 N -0.78 0.96 -0.07 3.99 7.35 -1.26 -0.05 117.46 127.60 3kkc n PHE 77 Ca 0.04 1.19 -0.12 0.00 -0.76 0.00 0.00 57.45 57.80 3kkc n PHE 77 Cb 0.54 -1.45 -0.06 0.00 0.35 0.00 0.00 39.48 38.86 3kkc n PHE 77 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3kkc h GLU 78 N 0.00 0.42 -0.36 -4.13 4.81 -2.00 -2.60 114.58 110.72 3kkc h GLU 78 Ca 0.75 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 59.87 3kkc h GLU 78 Cb 1.85 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.15 3kkc h GLU 78 CO -0.84 0.71 -0.10 0.93 -0.73 0.00 0.00 179.01 178.98 3kkc h GLU 79 N 0.11 -0.01 -0.89 1.92 5.08 -0.85 -0.77 114.58 119.16 3kkc h GLU 79 Ca 0.04 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.59 3kkc h GLU 79 Cb 0.59 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.68 3kkc h GLU 79 CO 0.03 -0.01 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.93 3kkc h TYR 80 N -0.01 -0.40 0.00 4.33 3.20 -1.21 0.21 116.97 123.09 3kkc h TYR 80 Ca 0.18 0.08 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 3kkc h TYR 80 Cb 0.28 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3kkc h TYR 80 CO -0.34 -0.38 -0.50 -0.07 -1.64 0.00 0.00 178.16 175.23 3kkc h LEU 81 N 0.01 0.00 -0.52 2.82 4.07 -1.04 -2.70 115.31 117.95 3kkc h LEU 81 Ca 0.44 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.30 3kkc h LEU 81 Cb 0.71 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 3kkc h LEU 81 CO -0.90 0.50 -0.09 0.58 -1.08 0.00 0.00 178.44 177.45 3kkc h VAL 82 N 0.00 1.27 -0.54 1.22 2.07 0.82 -1.16 116.25 119.93 3kkc h VAL 82 Ca -0.01 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3kkc h VAL 82 Cb 1.14 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3kkc h VAL 82 CO 0.07 0.43 0.13 -0.74 0.02 0.00 0.00 177.57 177.48 3kkc h HIS 83 N 0.85 0.85 -0.01 1.57 -0.00 -0.97 0.62 115.15 118.07 3kkc h HIS 83 Ca 0.14 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3kkc h HIS 83 Cb 0.65 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 3kkc h HIS 83 CO 0.05 0.72 -0.01 0.82 -0.00 0.00 0.00 177.93 179.50 3kkc h ILE 84 N 0.80 1.35 -0.71 6.26 2.04 -1.30 -2.17 117.51 123.77 3kkc h ILE 84 Ca 0.18 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3kkc h ILE 84 Cb 0.29 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3kkc h ILE 84 CO -0.00 0.28 0.47 -0.07 0.00 0.00 0.00 178.15 178.82 3kkc h LEU 85 N -0.41 0.81 -0.56 1.44 4.07 -1.03 -2.53 115.31 117.10 3kkc h LEU 85 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3kkc h LEU 85 Cb 0.45 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 3kkc h LEU 85 CO 0.00 0.59 0.33 0.50 -1.08 0.00 0.00 178.44 178.78 3kkc h LYS 86 N 0.96 0.76 -0.24 1.13 3.64 0.45 -0.62 116.57 122.66 3kkc h LYS 86 Ca 0.26 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3kkc h LYS 86 Cb -0.11 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.49 3kkc h LYS 86 CO -0.06 0.56 -0.14 0.45 -2.27 0.00 0.00 179.45 178.00 3kkc h HIS 87 N 0.75 -0.33 0.00 1.91 3.86 -0.97 -2.29 115.15 118.08 3kkc h HIS 87 Ca 0.20 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 3kkc h HIS 87 Cb 0.00 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3kkc h HIS 87 CO -0.02 -0.20 -0.22 0.74 0.86 0.00 0.00 177.93 179.09 3kkc h PHE 88 N -0.11 0.00 -0.45 2.45 0.04 -1.24 -1.12 116.94 116.51 3kkc h PHE 88 Ca 0.13 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 3kkc h PHE 88 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3kkc h PHE 88 CO -0.31 0.22 -0.10 1.49 -0.60 0.00 0.00 178.31 179.01 3kkc h GLU 89 N 0.00 0.81 -0.00 1.51 4.81 -0.55 -2.89 114.58 118.26 3kkc h GLU 89 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3kkc h GLU 89 Cb 0.42 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3kkc h GLU 89 CO 0.03 0.88 -0.56 1.04 -0.73 0.00 0.00 179.01 179.66 3kkc n GLN 90 N -4.17 0.39 -3.56 1.92 1.13 -0.90 -4.97 117.38 107.22 3kkc n GLN 90 Ca 0.01 -0.27 -0.21 0.00 -1.94 0.00 0.00 57.00 54.59 3kkc n GLN 90 Cb 0.36 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.29 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 -1.07 -3.95 -0.11 1.08 4.05 -0.49 -4.90 115.26 109.87 3kkc n ASN 91 Ca 0.07 -0.62 -0.06 0.00 0.45 0.00 0.00 54.58 54.43 3kkc n ASN 91 Cb 0.36 -4.90 -0.05 0.00 1.23 0.00 0.00 39.78 36.42 3kkc n ASN 91 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 3kkc h GLN 92 N -2.25 -0.12 -1.58 1.20 1.08 -1.67 -1.75 115.11 110.02 3kkc h GLN 92 Ca -0.58 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.01 3kkc h GLN 92 Cb 1.36 0.03 -0.40 0.00 -0.05 0.00 0.00 27.48 28.41 3kkc h GLN 92 CO 0.54 -0.08 -0.53 -0.25 -0.95 0.00 0.00 178.83 177.57 3kkc n ASP 93 N -3.98 5.03 -0.14 1.46 8.00 -1.26 -4.81 116.55 120.85 3kkc n ASP 93 Ca -0.01 -3.73 -0.02 0.00 0.71 0.00 0.00 54.79 51.74 3kkc n ASP 93 Cb 0.15 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 3kkc n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kkc n SER 94 N -0.49 -4.45 -0.34 -2.24 7.64 -0.66 -4.91 113.62 108.17 3kkc n SER 94 Ca 0.41 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 3kkc n SER 94 Cb 0.61 -2.11 0.09 0.00 -1.01 0.00 0.00 64.21 61.80 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 1.25 0.00 0.44 2.10 -1.88 0.10 117.51 119.53 3kkc h ILE 95 Ca -0.04 -0.54 -0.02 0.00 1.08 0.00 0.00 64.86 65.34 3kkc h ILE 95 Cb 0.53 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.20 3kkc h ILE 95 CO 0.05 0.26 -0.10 0.00 -1.08 0.00 0.00 178.15 177.29 3kkc h ALA 96 N 1.31 1.59 0.16 0.18 0.00 -1.84 -2.69 119.26 117.97 3kkc h ALA 96 Ca 0.33 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.81 3kkc h ALA 96 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kkc h ALA 96 CO -0.06 0.12 -1.68 1.15 0.00 0.00 0.00 179.25 178.78 3kkc h THR 97 N 0.00 1.01 -0.48 0.00 2.02 -1.13 -2.44 112.91 111.89 3kkc h THR 97 Ca -0.00 -2.61 0.10 0.00 0.77 0.00 0.00 66.41 64.67 3kkc h THR 97 Cb 0.21 2.76 -0.10 0.00 -1.74 0.00 0.00 68.15 69.29 3kkc h THR 97 CO 0.01 0.84 -0.23 -0.07 0.37 0.00 0.00 175.52 176.44 3kkc h LEU 98 N 0.10 -0.79 0.17 2.58 -0.00 -1.18 -0.39 115.31 115.80 3kkc h LEU 98 Ca -0.31 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 3kkc h LEU 98 Cb 2.08 0.42 0.00 0.00 -0.00 0.00 0.00 40.66 43.16 3kkc h LEU 98 CO 0.17 -0.25 -0.08 0.25 -0.00 0.00 0.00 178.44 178.53 3kkc h LEU 99 N -0.13 -0.20 -0.19 1.67 5.85 -1.49 -2.40 115.31 118.42 3kkc h LEU 99 Ca 0.22 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kkc h LEU 99 Cb 0.47 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kkc h LEU 99 CO -0.55 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 177.75 3kkc n LEU 100 N -5.11 0.12 0.11 2.25 4.32 -0.92 -2.40 117.00 115.37 3kkc n LEU 100 Ca -0.09 0.54 -0.01 0.00 -0.02 0.00 0.00 56.01 56.43 3kkc n LEU 100 Cb 0.18 -0.53 -0.03 0.00 -1.62 0.00 0.00 43.42 41.42 3kkc n LEU 100 CO 0.33 -0.42 0.32 0.77 -1.22 0.00 0.00 177.39 177.17 3kkc h SER 101 N 0.00 0.00 0.00 -1.43 4.64 -0.53 -3.47 113.55 112.76 3kkc h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kkc h SER 101 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kkc h SER 101 CO 0.00 0.67 0.00 0.47 -0.87 0.00 0.00 176.83 177.10 3kkc n ASP 102 N -3.25 -2.02 -4.67 4.97 9.92 -1.01 -4.97 116.55 115.52 3kkc n ASP 102 Ca 0.01 0.00 -0.49 0.00 -0.53 0.00 0.00 54.79 53.77 3kkc n ASP 102 Cb 0.81 -0.34 -0.05 0.00 -0.64 0.00 0.00 41.12 40.90 3kkc n ASP 102 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3kkc n ASP 103 N 0.00 2.97 -0.20 -2.24 2.03 -1.26 -4.85 116.55 113.00 3kkc n ASP 103 Ca 0.00 1.04 -0.01 0.00 0.52 0.00 0.00 54.79 56.34 3kkc n ASP 103 Cb 0.00 -1.33 0.06 0.00 -0.72 0.00 0.00 41.12 39.13 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 7.38 0.01 -0.14 -0.67 0.11 -1.96 -2.80 132.00 133.93 3kkc h PRO 104 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kkc h PRO 104 Cb 1.28 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kkc h PRO 104 CO 0.91 0.01 0.08 -0.92 -0.21 0.00 0.00 178.00 177.87 3kkc h TYR 105 N 0.01 0.19 0.76 0.65 3.20 -2.00 -0.03 116.97 119.76 3kkc h TYR 105 Ca 0.29 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 3kkc h TYR 105 Cb 0.45 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.67 3kkc h TYR 105 CO -0.48 0.19 -0.37 0.35 -1.64 0.00 0.00 178.16 176.21 3kkc h PHE 106 N 0.13 -0.95 -0.94 -3.82 3.57 -1.91 -2.46 116.94 110.56 3kkc h PHE 106 Ca 0.05 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.73 3kkc h PHE 106 Cb 0.06 0.31 -0.18 0.00 2.79 0.00 0.00 35.95 38.94 3kkc h PHE 106 CO -0.05 -0.59 -0.16 1.25 -2.23 0.00 0.00 178.31 176.53 3kkc h LEU 107 N -1.21 -0.75 -0.58 0.59 6.46 -1.38 0.18 115.31 118.62 3kkc h LEU 107 Ca -0.10 0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3kkc h LEU 107 Cb 0.79 0.55 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 3kkc h LEU 107 CO 0.17 -0.31 0.33 0.25 -0.62 0.00 0.00 178.44 178.26 3kkc h LEU 108 N 0.01 0.72 -0.59 2.25 6.46 -0.93 -1.62 115.31 121.60 3kkc h LEU 108 Ca 0.48 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 58.04 3kkc h LEU 108 Cb 0.82 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3kkc h LEU 108 CO -0.94 0.59 -0.25 0.03 -0.62 0.00 0.00 178.44 177.24 3kkc h ARG 109 N 0.79 0.85 0.61 1.25 2.47 -0.57 -2.84 114.38 116.95 3kkc h ARG 109 Ca 0.21 -0.37 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 3kkc h ARG 109 Cb 0.02 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3kkc h ARG 109 CO -0.04 1.01 -0.29 0.35 0.56 0.00 0.00 179.97 181.56 3kkc h PHE 110 N 0.73 -0.76 -0.83 3.04 3.57 -0.47 -2.19 116.94 120.03 3kkc h PHE 110 Ca 0.09 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.76 3kkc h PHE 110 Cb 0.80 0.25 -0.15 0.00 2.79 0.00 0.00 35.95 39.64 3kkc h PHE 110 CO 0.05 -0.47 -0.09 0.00 -2.23 0.00 0.00 178.31 175.56 3kkc h ARG 111 N -0.89 0.04 -0.62 1.11 3.08 -1.39 0.61 114.38 116.32 3kkc h ARG 111 Ca -0.08 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.07 3kkc h ARG 111 Cb 0.63 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 3kkc h ARG 111 CO 0.14 0.02 0.41 1.03 -1.07 0.00 0.00 179.97 180.51 3kkc h SER 112 N 0.04 0.37 0.02 7.04 0.87 -1.38 0.39 113.55 120.90 3kkc h SER 112 Ca 0.43 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.85 3kkc h SER 112 Cb 0.75 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3kkc h SER 112 CO -0.80 0.22 -0.62 -0.33 -0.53 0.00 0.00 176.83 174.78 3kkc h GLU 113 N 0.41 0.38 0.07 2.24 4.39 0.84 -2.71 114.58 120.21 3kkc h GLU 113 Ca 0.29 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.57 3kkc h GLU 113 Cb 0.58 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 3kkc h GLU 113 CO -0.08 1.12 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.37 3kkc h LEU 114 N -0.16 -1.35 -0.99 1.33 3.38 -0.97 0.11 115.31 116.66 3kkc h LEU 114 Ca -0.08 0.15 0.35 0.00 0.09 0.00 0.00 57.88 58.39 3kkc h LEU 114 Cb 1.35 0.51 -0.18 0.00 0.09 0.00 0.00 40.66 42.44 3kkc h LEU 114 CO 0.12 -0.50 0.35 -0.08 0.09 0.00 0.00 178.44 178.43 3kkc h GLU 115 N -0.65 0.05 0.04 1.13 4.81 -0.96 0.34 114.58 119.34 3kkc h GLU 115 Ca 0.03 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.94 3kkc h GLU 115 Cb 0.69 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3kkc h GLU 115 CO -0.29 0.03 -1.76 1.25 -0.73 0.00 0.00 179.01 177.52 3kkc h HIS 116 N 0.05 0.17 0.00 0.92 2.76 -0.98 -3.37 115.15 114.70 3kkc h HIS 116 Ca 0.73 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 3kkc h HIS 116 Cb 1.77 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.73 3kkc h HIS 116 CO -0.19 1.25 -0.82 -0.25 -1.30 0.00 0.00 177.93 176.61 3kkc n ASP 117 N -3.20 4.12 -0.08 3.26 8.00 0.31 -4.75 116.55 124.21 3kkc n ASP 117 Ca -0.20 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.11 3kkc n ASP 117 Cb 1.05 0.99 -0.08 0.00 -0.02 0.00 0.00 41.12 43.06 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 -1.40 0.94 -0.05 2.53 0.31 0.11 -4.78 118.33 115.99 3kkc n VAL 118 Ca 0.00 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 3kkc n VAL 118 Cb 0.00 -0.99 -0.07 0.00 -0.91 0.00 0.00 33.84 31.87 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 0.00 0.40 -0.37 3.52 3.20 -1.48 -1.75 116.97 120.49 3kkc h TYR 119 Ca -0.37 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.46 3kkc h TYR 119 Cb 1.62 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.72 3kkc h TYR 119 CO 0.02 0.72 -0.35 -1.35 -1.64 0.00 0.00 178.16 175.55 3kkc h PRO 120 N -0.04 -0.28 -0.33 1.82 0.11 -1.85 -1.53 132.00 129.91 3kkc h PRO 120 Ca 0.02 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 3kkc h PRO 120 Cb 0.65 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3kkc h PRO 120 CO 0.03 -0.19 -0.39 0.00 -0.21 0.00 0.00 178.00 177.25 3kkc h ARG 121 N -0.29 0.85 -0.78 1.05 3.08 -1.86 -2.42 114.38 114.01 3kkc h ARG 121 Ca 0.15 -0.47 0.10 0.00 0.07 0.00 0.00 59.98 59.84 3kkc h ARG 121 Cb 0.55 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 3kkc h ARG 121 CO -0.53 1.11 0.41 1.25 -1.07 0.00 0.00 179.97 181.14 3kkc h LEU 122 N 0.64 0.55 -0.04 3.04 5.85 -1.10 0.21 115.31 124.45 3kkc h LEU 122 Ca 0.05 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 3kkc h LEU 122 Cb 0.98 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.99 3kkc h LEU 122 CO 0.09 0.30 -0.74 -0.09 -0.34 0.00 0.00 178.44 177.66 3kkc h ARG 123 N 0.67 0.58 -0.39 1.25 1.12 -1.27 -2.27 114.38 114.07 3kkc h ARG 123 Ca 0.39 -0.57 -0.04 0.00 -1.11 0.00 0.00 59.98 58.65 3kkc h ARG 123 Cb 0.42 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 3kkc h ARG 123 CO -0.28 1.19 0.07 1.49 -3.11 0.00 0.00 179.97 179.33 3kkc h GLU 124 N 0.19 0.64 0.00 0.20 4.22 -1.06 -1.30 114.58 117.46 3kkc h GLU 124 Ca -0.08 -0.17 -0.08 0.00 0.08 0.00 0.00 59.36 59.11 3kkc h GLU 124 Cb 1.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3kkc h GLU 124 CO 0.15 0.69 -0.38 1.49 -2.18 0.00 0.00 179.01 178.77 3kkc h GLU 125 N 0.49 0.00 0.00 1.92 4.57 -0.65 -3.37 114.58 117.54 3kkc h GLU 125 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3kkc h GLU 125 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3kkc h GLU 125 CO 0.01 0.38 0.00 0.66 -1.18 0.00 0.00 179.01 178.88 3kkc n TYR 126 N -3.38 0.00 -4.09 0.92 4.02 -0.85 -4.97 117.16 108.81 3kkc n TYR 126 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.57 3kkc n TYR 126 Cb 0.57 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.50 2.17 -0.43 -0.72 -1.09 -0.49 -3.17 121.20 116.97 3kkc s ILE 127 Ca 0.00 -1.16 0.10 0.00 -2.23 0.00 0.00 60.65 57.36 3kkc s ILE 127 Cb 0.00 -2.05 0.39 0.00 -1.58 0.00 0.00 42.46 39.23 3kkc s ILE 127 CO 0.00 0.33 0.94 0.35 -1.23 0.00 0.00 174.94 175.33 3kkc n THR 128 N 4.57 1.59 -3.15 2.92 -2.24 -1.18 -4.66 114.28 112.12 3kkc n THR 128 Ca -0.18 -4.53 0.04 0.00 -2.27 0.00 0.00 64.05 57.11 3kkc n THR 128 Cb 0.47 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3kkc n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kkc s LYS 129 N -3.15 0.43 0.00 -0.78 1.02 -1.26 -4.99 119.74 111.00 3kkc s LYS 129 Ca 0.41 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.81 3kkc s LYS 129 Cb 0.37 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.87 3kkc s LYS 129 CO -0.09 -0.80 0.65 1.33 -0.92 0.00 0.00 175.35 175.52 3kkc n VAL 130 N 5.30 0.65 0.25 3.17 0.24 -1.26 -3.53 118.33 123.15 3kkc n VAL 130 Ca 0.06 -0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.45 3kkc n VAL 130 Cb 0.55 -0.86 0.63 0.00 -1.47 0.00 0.00 33.84 32.69 3kkc n VAL 130 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3kkc h ASP 131 N 1.15 0.00 -4.47 -1.34 1.82 -2.03 -3.44 116.42 108.11 3kkc h ASP 131 Ca 0.00 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 3kkc h ASP 131 Cb 0.55 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.28 3kkc h ASP 131 CO 0.00 0.13 -0.88 -0.63 -1.61 0.00 0.00 179.24 176.25 3kkc s ILE 132 N -3.84 2.12 0.54 2.25 1.09 -1.23 -5.12 121.20 117.02 3kkc s ILE 132 Ca -0.01 -1.21 -0.20 0.00 -1.10 0.00 0.00 60.65 58.14 3kkc s ILE 132 Cb 0.11 -1.77 -0.06 0.00 -1.06 0.00 0.00 42.46 39.68 3kkc s ILE 132 CO 0.59 0.50 1.15 -2.84 -0.10 0.00 0.00 174.94 174.23 3kkc s PRO 133 N -0.86 3.36 0.09 2.79 0.02 -1.26 -4.85 135.00 134.27 3kkc s PRO 133 Ca 0.11 1.67 -0.35 0.00 0.02 0.00 0.00 61.00 62.45 3kkc s PRO 133 Cb -0.10 -2.05 -0.17 0.00 0.02 0.00 0.00 34.50 32.20 3kkc s PRO 133 CO 0.00 -0.86 1.57 0.93 -0.33 0.00 0.00 177.00 178.32 3kkc h GLU 134 N 1.27 -0.94 -0.76 5.54 4.39 -1.98 -1.28 114.58 120.82 3kkc h GLU 134 Ca -0.50 0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.42 3kkc h GLU 134 Cb 1.27 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 30.02 3kkc h GLU 134 CO 0.57 -0.63 0.24 0.38 -1.16 0.00 0.00 179.01 178.41 3kkc h ASP 135 N -0.98 0.14 -0.26 1.42 2.03 -1.99 0.35 116.42 117.13 3kkc h ASP 135 Ca -0.06 0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.37 3kkc h ASP 135 Cb 0.85 0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.49 3kkc h ASP 135 CO -0.04 0.01 0.16 0.15 -1.03 0.00 0.00 179.24 178.49 3kkc h PHE 136 N 0.34 0.35 -0.59 4.15 3.57 -1.90 -1.06 116.94 121.79 3kkc h PHE 136 Ca 0.43 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.04 3kkc h PHE 136 Cb 0.71 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 3kkc h PHE 136 CO -0.22 0.26 0.10 1.25 -2.23 0.00 0.00 178.31 177.48 3kkc h LEU 137 N 0.33 -0.05 -0.09 0.59 7.12 0.70 -1.76 115.31 122.15 3kkc h LEU 137 Ca 0.09 0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 3kkc h LEU 137 Cb 0.01 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 3kkc h LEU 137 CO -0.02 -0.02 -0.06 0.50 -0.13 0.00 0.00 178.44 178.72 3kkc h LYS 138 N 0.23 0.20 -0.98 1.25 3.64 -0.16 -2.44 116.57 118.30 3kkc h LYS 138 Ca 0.31 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3kkc h LYS 138 Cb 0.47 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 3kkc h LYS 138 CO -0.42 0.58 0.63 0.37 -2.27 0.00 0.00 179.45 178.33 3kkc h GLN 139 N -0.19 1.04 -0.08 1.90 -0.00 -1.07 -2.79 115.11 113.92 3kkc h GLN 139 Ca 0.02 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.65 58.41 3kkc h GLN 139 Cb 0.52 -0.23 0.01 0.00 0.00 0.00 0.00 27.48 27.78 3kkc h GLN 139 CO 0.02 0.68 -0.73 0.35 0.00 0.00 0.00 178.83 179.15 3kkc h PHE 140 N 1.07 0.90 0.47 3.99 3.57 -1.18 -2.51 116.94 123.24 3kkc h PHE 140 Ca 0.45 -0.43 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kkc h PHE 140 Cb 0.30 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3kkc h PHE 140 CO -0.00 1.25 -0.22 -0.07 -2.23 0.00 0.00 178.31 177.03 3kkc h LEU 141 N 0.29 -0.53 -0.40 0.59 4.07 -1.43 -1.28 115.31 116.62 3kkc h LEU 141 Ca -0.07 -0.08 0.08 0.00 0.08 0.00 0.00 57.88 57.89 3kkc h LEU 141 Cb 1.39 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 43.19 3kkc h LEU 141 CO 0.15 -0.20 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.16 3kkc h LEU 142 N -0.89 -0.34 -0.39 1.67 4.07 -1.60 0.23 115.31 118.06 3kkc h LEU 142 Ca -0.06 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 3kkc h LEU 142 Cb 0.58 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 3kkc h LEU 142 CO 0.11 -0.12 0.10 0.28 -1.08 0.00 0.00 178.44 177.73 3kkc h SER 143 N 0.02 0.59 -0.91 -0.43 0.02 -1.52 -1.71 113.55 109.61 3kkc h SER 143 Ca 0.19 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3kkc h SER 143 Cb 0.29 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3kkc h SER 143 CO -0.40 0.66 0.60 0.77 -1.14 0.00 0.00 176.83 177.33 3kkc h SER 144 N 0.49 1.02 0.68 3.07 4.64 -0.79 -1.01 113.55 121.66 3kkc h SER 144 Ca 0.12 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3kkc h SER 144 Cb 0.30 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3kkc h SER 144 CO 0.00 0.73 -0.33 0.15 -0.87 0.00 0.00 176.83 176.51 3kkc h PHE 145 N 1.20 -0.85 -0.97 4.77 3.57 -0.74 0.52 116.94 124.44 3kkc h PHE 145 Ca 0.35 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.94 3kkc h PHE 145 Cb -0.08 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 3kkc h PHE 145 CO -0.00 -0.50 0.62 0.97 -2.23 0.00 0.00 178.31 177.17 3kkc h ILE 146 N -1.15 0.93 0.15 1.41 2.10 -1.19 0.36 117.51 120.12 3kkc h ILE 146 Ca -0.09 -0.33 -0.29 0.00 1.08 0.00 0.00 64.86 65.23 3kkc h ILE 146 Cb 0.73 -0.11 0.01 0.00 -1.09 0.00 0.00 36.82 36.36 3kkc h ILE 146 CO 0.15 0.17 -1.29 -0.33 -1.08 0.00 0.00 178.15 175.77 3kkc h GLU 147 N 0.96 0.32 -0.43 2.19 4.39 -1.17 0.57 114.58 121.41 3kkc h GLU 147 Ca 0.47 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3kkc h GLU 147 Cb 0.48 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3kkc h GLU 147 CO -0.24 1.26 0.12 1.15 -1.16 0.00 0.00 179.01 180.14 3kkc h THR 148 N 0.09 1.22 0.08 1.13 2.02 -0.30 0.43 112.91 117.58 3kkc h THR 148 Ca -0.16 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.29 3kkc h THR 148 Cb 2.01 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 69.27 3kkc h THR 148 CO 0.22 0.27 -0.48 0.25 0.37 0.00 0.00 175.52 176.14 3kkc h LEU 149 N 0.55 -1.43 -1.07 2.58 5.85 -0.23 -0.13 115.31 121.43 3kkc h LEU 149 Ca 0.14 0.16 0.07 0.00 0.84 0.00 0.00 57.88 59.09 3kkc h LEU 149 Cb 0.28 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3kkc h LEU 149 CO -0.00 -0.52 0.62 0.11 -0.34 0.00 0.00 178.44 178.32 3kkc h LYS 150 N -0.68 1.06 -0.49 1.25 1.57 -0.58 -1.69 116.57 117.01 3kkc h LYS 150 Ca 0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3kkc h LYS 150 Cb 0.71 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3kkc h LYS 150 CO -0.29 0.70 0.00 2.35 -0.57 0.00 0.00 179.45 181.64 3kkc h TRP 151 N 1.09 0.94 -0.27 -1.35 7.01 0.49 -2.00 115.95 121.87 3kkc h TRP 151 Ca 0.42 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3kkc h TRP 151 Cb 0.23 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3kkc h TRP 151 CO -0.00 0.89 0.14 2.35 -2.79 0.00 0.00 178.44 179.02 3kkc h TRP 152 N 0.73 0.38 0.00 2.65 7.01 -0.34 -2.65 115.95 123.73 3kkc h TRP 152 Ca 0.14 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3kkc h TRP 152 Cb 0.51 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3kkc h TRP 152 CO 0.04 0.34 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.84 3kkc h LEU 153 N 0.31 0.00 -0.19 0.65 3.38 -1.03 -0.65 115.31 117.77 3kkc h LEU 153 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kkc h LEU 153 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kkc h LEU 153 CO -0.01 0.12 0.00 1.41 0.09 0.00 0.00 178.44 180.05 3kkc n HIS 154 N -4.39 0.00 -2.42 1.13 8.25 -0.78 -4.86 115.22 112.15 3kkc n HIS 154 Ca -0.03 -0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 3kkc n HIS 154 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.00 4.51 0.06 -0.41 -1.52 -0.25 -4.96 119.66 115.09 3kkc s GLN 155 Ca 0.44 1.82 -0.33 0.00 -1.95 0.00 0.00 55.36 55.34 3kkc s GLN 155 Cb 0.21 -3.27 -0.19 0.00 -0.22 0.00 0.00 33.01 29.54 3kkc s GLN 155 CO 0.35 -0.08 1.59 0.00 -0.25 0.00 0.00 175.29 176.90 3kkc h ARG 156 N 5.49 -0.91 -3.49 2.91 3.08 -1.89 -3.34 114.38 116.23 3kkc h ARG 156 Ca -0.44 0.06 -0.69 0.00 0.07 0.00 0.00 59.98 58.98 3kkc h ARG 156 Cb 1.21 0.21 -0.36 0.00 0.08 0.00 0.00 29.97 31.11 3kkc h ARG 156 CO 0.75 -0.60 -0.32 -0.65 -1.07 0.00 0.00 179.97 178.08 3kkc s GLN 157 N -5.95 2.70 0.00 0.04 1.11 -1.26 -5.22 119.66 111.08 3kkc s GLN 157 Ca -0.18 -2.73 0.00 0.00 0.01 0.00 0.00 55.36 52.47 3kkc s GLN 157 Cb 0.03 -3.76 0.00 0.00 -1.01 0.00 0.00 33.01 28.27 3kkc s GLN 157 CO 0.61 -1.20 0.00 1.63 0.01 0.00 0.00 175.29 176.34 3kkc n LYS 158 N 3.17 2.36 -3.86 2.91 5.02 -1.26 -5.21 118.16 121.30 3kkc n LYS 158 Ca 0.11 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 3kkc n LYS 158 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 3kkc n LYS 158 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kkc s THR 160 N 0.00 5.34 0.62 -0.18 -4.23 -1.26 -5.16 115.64 110.76 3kkc s THR 160 Ca 0.00 -0.27 0.34 0.00 -1.18 0.00 0.00 61.69 60.58 3kkc s THR 160 Cb 0.00 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.60 3kkc s THR 160 CO 0.00 0.13 2.22 -0.37 -0.54 0.00 0.00 174.62 176.06 3kkc h VAL 161 N 2.14 0.32 0.09 2.29 -1.51 -1.98 -1.36 116.25 116.24 3kkc h VAL 161 Ca -0.46 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3kkc h VAL 161 Cb 1.16 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3kkc h VAL 161 CO 0.75 0.00 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.71 3kkc h GLU 162 N 0.00 -0.11 -0.90 5.19 4.39 -1.99 -2.21 114.58 118.94 3kkc h GLU 162 Ca 0.02 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3kkc h GLU 162 Cb 0.20 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 3kkc h GLU 162 CO -0.00 0.37 0.59 -0.44 -1.16 0.00 0.00 179.01 178.37 3kkc h ASP 163 N -0.67 1.00 0.40 1.42 3.32 -1.78 -1.37 116.42 118.74 3kkc h ASP 163 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3kkc h ASP 163 Cb 0.54 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kkc h ASP 163 CO 0.02 0.70 -0.19 0.25 -1.72 0.00 0.00 179.24 178.30 3kkc h LEU 164 N 1.17 -0.45 -0.84 1.55 5.85 -1.27 -0.96 115.31 120.35 3kkc h LEU 164 Ca 0.35 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.08 3kkc h LEU 164 Cb -0.05 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 3kkc h LEU 164 CO -0.09 -0.09 0.45 0.25 -0.34 0.00 0.00 178.44 178.61 3kkc h LEU 165 N -0.87 0.56 0.20 2.25 5.85 -1.32 0.12 115.31 122.11 3kkc h LEU 165 Ca -0.05 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kkc h LEU 165 Cb 0.55 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3kkc h LEU 165 CO 0.09 0.26 -0.10 0.50 -0.34 0.00 0.00 178.44 178.85 3kkc h LYS 166 N 0.66 -0.26 -0.44 1.25 3.64 -1.09 0.77 116.57 121.10 3kkc h LYS 166 Ca 0.45 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.79 3kkc h LYS 166 Cb 0.59 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3kkc h LYS 166 CO -0.34 -0.09 0.03 1.88 -2.27 0.00 0.00 179.45 178.66 3kkc h TYR 167 N -0.38 0.73 0.23 1.91 0.05 -0.84 0.61 116.97 119.28 3kkc h TYR 167 Ca -0.03 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 3kkc h TYR 167 Cb 0.29 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3kkc h TYR 167 CO -0.03 0.68 -0.14 -0.92 -1.05 0.00 0.00 178.16 176.70 3kkc h TYR 168 N 0.67 -0.35 -0.33 4.88 3.20 -0.50 -3.29 116.97 121.24 3kkc h TYR 168 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3kkc h TYR 168 Cb 0.37 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3kkc h TYR 168 CO 0.02 -0.22 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.11 3kkc h LEU 169 N -0.35 0.70 -3.81 2.82 3.38 -0.40 -2.75 115.31 114.89 3kkc h LEU 169 Ca -0.02 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3kkc h LEU 169 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kkc h LEU 169 CO 0.03 0.94 0.03 0.35 0.09 0.00 0.00 178.44 179.87 3kkc n THR 170 N -4.37 1.03 0.00 0.22 -2.24 0.17 -1.74 114.28 107.34 3kkc n THR 170 Ca -0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3kkc n THR 170 Cb 0.38 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 2.04 0.00 -1.53 2.28 0.24 -1.04 -4.99 118.33 115.32 3kkc n VAL 172 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.12 3kkc n VAL 172 Cb 0.28 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.53 3kkc n VAL 172 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kkc n GLU 173 N -0.29 0.44 0.00 7.34 2.13 -0.71 -4.88 120.64 124.67 3kkc n GLU 173 Ca 0.00 -0.36 0.02 0.00 0.66 0.00 0.00 57.16 57.49 3kkc n GLU 173 Cb 0.00 -2.67 0.02 0.00 0.27 0.00 0.00 31.44 29.06 3kkc n GLU 173 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26