#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 0.83 -2.51 6.43 3.02 -1.26 -2.83 115.26 118.94 3kkc n ASN -1 Ca 0.00 -0.67 -0.36 0.00 -0.03 0.00 0.00 54.58 53.53 3kkc n ASN -1 Cb 0.00 0.17 0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3kkc n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kkc n ALA 0 N -0.94 6.27 0.00 5.41 0.00 -1.26 -3.90 120.51 126.09 3kkc n ALA 0 Ca 0.10 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.80 3kkc n ALA 0 Cb 0.34 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3kkc n ALA 0 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kkc n VAL 2 N -0.76 0.00 -0.17 0.00 3.14 -1.13 -1.39 118.33 118.02 3kkc n VAL 2 Ca 0.58 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.90 3kkc n VAL 2 Cb 0.54 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.44 3kkc n VAL 2 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3kkc h LYS 3 N 0.00 0.94 0.58 1.45 1.57 -1.88 -1.94 116.57 117.30 3kkc h LYS 3 Ca 0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3kkc h LYS 3 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3kkc h LYS 3 CO 0.00 0.88 -0.36 0.22 -0.57 0.00 0.00 179.45 179.62 3kkc h ASP 4 N 0.88 -0.91 -0.05 0.86 3.58 -1.57 -0.84 116.42 118.38 3kkc h ASP 4 Ca 0.18 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.69 3kkc h ASP 4 Cb 0.42 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3kkc h ASP 4 CO 0.01 -0.56 0.40 0.03 -2.88 0.00 0.00 179.24 176.24 3kkc h ARG 5 N -0.90 0.00 0.00 0.28 3.08 -1.77 0.27 114.38 115.34 3kkc h ARG 5 Ca -0.07 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 3kkc h ARG 5 Cb 0.73 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 3kkc h ARG 5 CO 0.07 0.00 -1.68 0.94 -1.07 0.00 0.00 179.97 178.23 3kkc n GLN 6 N -2.94 0.63 0.16 0.04 7.27 -0.62 -2.77 117.38 119.16 3kkc n GLN 6 Ca -0.01 0.29 0.06 0.00 0.07 0.00 0.00 57.00 57.41 3kkc n GLN 6 Cb 0.46 -1.79 0.07 0.00 2.41 0.00 0.00 30.24 31.39 3kkc n GLN 6 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 3kkc h ILE 7 N 0.00 0.56 0.02 1.69 3.07 0.80 -2.82 117.51 120.83 3kkc h ILE 7 Ca -0.27 -1.80 -0.26 0.00 1.55 0.00 0.00 64.86 64.08 3kkc h ILE 7 Cb 1.97 2.27 0.02 0.00 -0.27 0.00 0.00 36.82 40.80 3kkc h ILE 7 CO 0.08 0.32 -1.05 1.56 -1.05 0.00 0.00 178.15 178.00 3kkc h GLN 8 N 0.00 0.59 -0.09 0.16 4.20 -1.16 -2.68 115.11 116.13 3kkc h GLN 8 Ca -0.01 -0.67 -0.10 0.00 0.06 0.00 0.00 58.65 57.93 3kkc h GLN 8 Cb 1.26 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 3kkc h GLN 8 CO 0.04 1.27 -0.41 -0.22 -0.67 0.00 0.00 178.83 178.83 3kkc h LYS 9 N 0.32 0.19 0.00 1.46 3.64 -1.54 -2.79 116.57 117.85 3kkc h LYS 9 Ca -0.12 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 3kkc h LYS 9 Cb 1.71 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.51 3kkc h LYS 9 CO 0.20 0.58 -0.62 1.79 -2.27 0.00 0.00 179.45 179.13 3kkc h THR 10 N 0.16 1.22 -0.26 1.00 1.35 -1.52 -2.04 112.91 112.83 3kkc h THR 10 Ca 0.01 -2.31 -0.10 0.00 -0.55 0.00 0.00 66.41 63.47 3kkc h THR 10 Cb 0.81 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3kkc h THR 10 CO 0.06 0.61 -0.21 0.50 -0.25 0.00 0.00 175.52 176.23 3kkc h LYS 11 N 0.00 0.61 -0.57 4.72 3.64 -1.38 -2.92 116.57 120.67 3kkc h LYS 11 Ca -0.01 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3kkc h LYS 11 Cb 1.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 3kkc h LYS 11 CO 0.08 0.90 0.25 0.28 -2.27 0.00 0.00 179.45 178.69 3kkc h VAL 12 N 0.33 1.20 -0.63 2.00 2.07 -1.49 -2.05 116.25 117.67 3kkc h VAL 12 Ca 0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kkc h VAL 12 Cb 0.76 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kkc h VAL 12 CO 0.06 0.23 0.41 0.00 0.02 0.00 0.00 177.57 178.29 3kkc h ALA 13 N 1.48 0.81 0.44 1.67 0.00 -1.18 0.14 119.26 122.60 3kkc h ALA 13 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kkc h ALA 13 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kkc h ALA 13 CO -0.02 0.25 -0.21 0.82 0.00 0.00 0.00 179.25 180.08 3kkc h ILE 14 N 0.86 0.56 -0.61 0.00 2.04 -1.37 -0.51 117.51 118.48 3kkc h ILE 14 Ca 0.23 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3kkc h ILE 14 Cb -0.08 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 3kkc h ILE 14 CO -0.05 0.04 -0.55 0.22 0.00 0.00 0.00 178.15 177.82 3kkc h TYR 15 N -0.72 -1.69 -0.53 1.37 3.20 -1.08 0.89 116.97 118.41 3kkc h TYR 15 Ca -0.06 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3kkc h TYR 15 Cb 0.52 0.82 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 3kkc h TYR 15 CO -0.02 -0.45 0.25 -0.91 -1.64 0.00 0.00 178.16 175.39 3kkc h ASN 16 N -0.26 0.67 -0.57 -2.11 2.35 -0.67 -1.99 115.58 113.00 3kkc h ASN 16 Ca 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3kkc h ASN 16 Cb 0.54 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3kkc h ASN 16 CO -0.71 0.58 0.34 0.00 -1.65 0.00 0.00 177.43 175.99 3kkc h ALA 17 N 1.53 0.73 -0.80 -0.83 0.00 0.34 -1.35 119.26 118.87 3kkc h ALA 17 Ca 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kkc h ALA 17 Cb 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3kkc h ALA 17 CO -0.02 0.21 0.53 0.35 0.00 0.00 0.00 179.25 180.32 3kkc h PHE 18 N 0.77 1.00 -0.32 0.00 3.57 -0.16 -1.60 116.94 120.20 3kkc h PHE 18 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3kkc h PHE 18 Cb -0.01 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 3kkc h PHE 18 CO -0.02 0.62 0.00 0.82 -2.23 0.00 0.00 178.31 177.50 3kkc h ILE 19 N 1.07 1.26 -0.13 1.41 2.04 -1.15 -2.04 117.51 119.97 3kkc h ILE 19 Ca 0.30 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3kkc h ILE 19 Cb -0.11 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kkc h ILE 19 CO -0.07 0.31 -0.20 -1.28 0.00 0.00 0.00 178.15 176.91 3kkc h SER 20 N 0.37 0.21 1.88 1.72 0.87 -1.00 -1.64 113.55 115.96 3kkc h SER 20 Ca 0.09 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3kkc h SER 20 Cb 0.44 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3kkc h SER 20 CO 0.02 0.43 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.55 3kkc h LEU 21 N 0.21 0.00 -0.51 2.23 3.38 -1.19 -2.94 115.31 116.48 3kkc h LEU 21 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kkc h LEU 21 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kkc h LEU 21 CO 0.03 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.86 3kkc n LEU 22 N -3.13 0.78 0.02 1.67 4.32 -0.63 -1.60 117.00 118.42 3kkc n LEU 22 Ca 0.04 -0.30 -0.03 0.00 -0.02 0.00 0.00 56.01 55.70 3kkc n LEU 22 Cb 0.58 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 3kkc n LEU 22 CO 0.36 0.15 -0.33 -0.61 -1.22 0.00 0.00 177.39 175.73 3kkc h GLN 23 N 1.12 0.00 0.00 3.23 4.15 -1.32 -3.39 115.11 118.90 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 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3kkc h GLN 23 CO 0.00 0.38 -1.42 0.39 -1.93 0.00 0.00 178.83 176.25 3kkc n GLU 24 N -2.96 0.76 -4.16 1.69 -0.58 -1.17 -4.99 120.64 109.23 3kkc n GLU 24 Ca -0.11 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.41 3kkc n GLU 24 Cb 0.91 -1.26 -0.10 0.00 -0.57 0.00 0.00 31.44 30.41 3kkc n GLU 24 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kkc s ASN 25 N -3.24 1.20 0.60 1.62 0.01 -0.63 -5.14 114.94 109.36 3kkc s ASN 25 Ca -0.03 -0.87 -0.18 0.00 -0.71 0.00 0.00 52.86 51.06 3kkc s ASN 25 Cb 0.08 0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.77 3kkc s ASN 25 CO 0.51 -0.36 1.18 -1.81 -1.51 0.00 0.00 177.10 175.11 3kkc s ASP 26 N -2.63 5.25 0.17 -1.22 -0.00 -1.26 -4.51 116.67 112.46 3kkc s ASP 26 Ca 0.06 2.29 -0.13 0.00 -0.00 0.00 0.00 52.55 54.77 3kkc s ASP 26 Cb 0.00 -2.59 0.06 0.00 -0.00 0.00 0.00 42.92 40.39 3kkc s ASP 26 CO -0.02 -1.55 1.75 0.22 -0.00 0.00 0.00 175.17 175.57 3kkc h TYR 27 N 0.80 0.79 -0.02 4.23 3.20 -1.95 -1.75 116.97 122.27 3kkc h TYR 27 Ca -0.50 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.34 3kkc h TYR 27 Cb 1.28 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 3kkc h TYR 27 CO 0.49 0.61 0.02 0.66 -1.64 0.00 0.00 178.16 178.30 3kkc h SER 28 N 0.74 0.00 0.97 -2.11 4.64 -1.99 -3.11 113.55 112.69 3kkc h SER 28 Ca 0.19 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3kkc h SER 28 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3kkc h SER 28 CO -0.02 0.00 -1.09 0.50 -0.87 0.00 0.00 176.83 175.35 3kkc h LYS 29 N 0.00 0.00 -7.00 4.77 3.11 -1.71 -3.47 116.57 112.28 3kkc h LYS 29 Ca 0.01 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.37 3kkc h LYS 29 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3kkc h LYS 29 CO -0.00 0.17 0.25 0.96 -2.81 0.00 0.00 179.45 178.02 3kkc s ILE 30 N -3.12 4.61 0.07 2.00 -4.36 -0.87 -4.95 121.20 114.57 3kkc s ILE 30 Ca -0.01 1.04 0.07 0.00 -0.26 0.00 0.00 60.65 61.49 3kkc s ILE 30 Cb 0.09 -3.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.08 3kkc s ILE 30 CO 0.79 -0.50 -0.18 0.42 0.24 0.00 0.00 174.94 175.71 3kkc s THR 31 N -2.38 1.44 0.52 8.37 -4.23 -1.26 -5.01 115.64 113.08 3kkc s THR 31 Ca 0.56 -1.27 0.39 0.00 -1.18 0.00 0.00 61.69 60.19 3kkc s THR 31 Cb -0.10 -1.30 0.60 0.00 1.34 0.00 0.00 72.50 73.04 3kkc s THR 31 CO 0.26 -0.01 1.68 0.58 -0.54 0.00 0.00 174.62 176.60 3kkc h VAL 32 N 4.30 0.21 -0.07 2.29 2.07 -2.00 0.91 116.25 123.95 3kkc h VAL 32 Ca -0.42 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 3kkc h VAL 32 Cb 1.18 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3kkc h VAL 32 CO 0.42 0.01 -0.46 1.56 0.02 0.00 0.00 177.57 179.12 3kkc h GLN 33 N 0.05 0.17 -0.16 1.57 1.08 -2.00 -2.00 115.11 113.82 3kkc h GLN 33 Ca 0.76 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.88 3kkc h GLN 33 Cb 2.85 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 30.27 3kkc h GLN 33 CO -0.11 0.60 0.07 -0.44 -0.95 0.00 0.00 178.83 178.00 3kkc h ASP 34 N 0.14 0.11 -0.71 1.46 5.19 0.45 -1.88 116.42 121.18 3kkc h ASP 34 Ca 0.01 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3kkc h ASP 34 Cb 0.87 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.33 3kkc h ASP 34 CO 0.07 0.09 0.46 0.58 -3.12 0.00 0.00 179.24 177.31 3kkc h VAL 35 N 0.17 1.19 -0.00 -1.35 2.07 -1.23 -2.44 116.25 114.65 3kkc h VAL 35 Ca 0.07 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3kkc h VAL 35 Cb 0.02 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3kkc h VAL 35 CO -0.05 0.19 -0.00 0.40 0.02 0.00 0.00 177.57 178.12 3kkc h ILE 36 N 0.97 1.41 -0.17 4.57 2.04 -1.30 -2.10 117.51 122.93 3kkc h ILE 36 Ca 0.26 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3kkc h ILE 36 Cb -0.09 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3kkc h ILE 36 CO -0.05 0.31 0.72 1.23 0.00 0.00 0.00 178.15 180.36 3kkc h GLY 37 N -0.50 0.00 0.00 5.37 0.00 -0.84 0.67 103.07 107.77 3kkc h GLY 37 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3kkc h GLY 37 CO 0.00 0.00 -2.53 1.04 0.00 0.00 0.00 176.54 175.05 3kkc n LEU 38 N -2.86 2.03 0.27 3.11 4.77 -1.16 -4.59 117.00 118.57 3kkc n LEU 38 Ca 0.03 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 3kkc n LEU 38 Cb 0.80 -0.82 0.73 0.00 -2.33 0.00 0.00 43.42 41.79 3kkc n LEU 38 CO 0.11 0.61 1.07 0.00 -1.33 0.00 0.00 177.39 177.84 3kkc h ALA 39 N -0.90 1.77 -0.33 -1.18 0.00 -0.01 -3.45 119.26 115.16 3kkc h ALA 39 Ca -0.69 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 3kkc h ALA 39 Cb 1.64 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 3kkc h ALA 39 CO -0.39 0.03 -0.13 0.09 0.00 0.00 0.00 179.25 178.84 3kkc n ASN 40 N -4.24 -4.47 -4.52 0.00 3.02 0.20 -4.85 115.26 100.42 3kkc n ASN 40 Ca -0.03 0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.36 3kkc n ASN 40 Cb 0.11 -2.59 -0.12 0.00 -0.61 0.00 0.00 39.78 36.57 3kkc n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kkc s VAL 41 N -2.05 3.58 0.99 2.41 0.11 -1.26 -5.08 120.40 119.09 3kkc s VAL 41 Ca 0.00 -0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 58.42 3kkc s VAL 41 Cb 0.00 -2.49 0.18 0.00 -1.53 0.00 0.00 36.38 32.54 3kkc s VAL 41 CO 0.00 0.56 1.09 -0.83 -3.33 0.00 0.00 175.10 172.59 3kkc s GLY 42 N -0.32 1.58 0.31 6.54 0.00 -1.26 -4.70 107.32 109.46 3kkc s GLY 42 Ca 0.04 -0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.55 3kkc s GLY 42 CO 0.02 0.34 1.84 -0.09 0.00 0.00 0.00 173.10 175.21 3kkc h ARG 43 N -1.89 0.84 -0.34 2.90 9.65 -1.99 -2.78 114.38 120.78 3kkc h ARG 43 Ca -0.54 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.21 3kkc h ARG 43 Cb 1.32 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 3kkc h ARG 43 CO 0.56 0.56 -0.09 0.66 2.80 0.00 0.00 179.97 184.45 3kkc h SER 44 N 0.86 0.66 -0.06 -3.80 4.64 -2.00 -3.06 113.55 110.81 3kkc h SER 44 Ca 0.50 -0.37 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 3kkc h SER 44 Cb 0.63 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3kkc h SER 44 CO -0.27 0.88 -0.66 0.71 -0.87 0.00 0.00 176.83 176.62 3kkc h THR 45 N 0.43 1.36 -0.80 2.95 1.35 -1.89 -3.12 112.91 113.19 3kkc h THR 45 Ca 0.08 -2.00 0.10 0.00 -0.55 0.00 0.00 66.41 64.04 3kkc h THR 45 Cb 0.59 2.34 -0.12 0.00 -1.73 0.00 0.00 68.15 69.24 3kkc h THR 45 CO 0.03 0.60 -0.50 0.15 -0.25 0.00 0.00 175.52 175.55 3kkc h PHE 46 N 0.14 -1.54 0.00 4.73 3.57 -1.57 0.43 116.94 122.70 3kkc h PHE 46 Ca -0.07 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kkc h PHE 46 Cb 1.33 0.78 0.00 0.00 2.79 0.00 0.00 35.95 40.85 3kkc h PHE 46 CO 0.12 -0.41 0.00 0.66 -2.23 0.00 0.00 178.31 176.45 3kkc n TYR 47 N -5.36 0.00 1.22 0.41 4.01 -1.16 -0.46 117.16 115.83 3kkc n TYR 47 Ca 0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.90 3kkc n TYR 47 Cb 0.32 -0.32 0.36 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.32 0.97 -0.01 7.72 3.41 0.15 -4.21 113.62 120.33 3kkc n SER 48 Ca 0.02 -0.82 -0.01 0.00 -0.26 0.00 0.00 58.87 57.81 3kkc n SER 48 Cb 0.05 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.74 0.00 -3.69 7.33 8.25 0.39 -5.02 115.22 121.75 3kkc n HIS 49 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 3kkc n HIS 49 Cb 0.35 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.04 0.72 0.52 4.41 2.02 -0.63 -5.01 117.35 117.34 3kkc s TYR 50 Ca -0.01 -0.67 0.39 0.00 -0.37 0.00 0.00 57.07 56.42 3kkc s TYR 50 Cb 0.00 -0.91 1.57 0.00 -0.40 0.00 0.00 41.96 42.22 3kkc s TYR 50 CO 0.05 -0.58 1.68 1.49 -1.57 0.00 0.00 175.55 176.62 3kkc h GLU 51 N 8.31 0.04 -1.71 -0.62 4.81 -1.87 -3.39 114.58 120.15 3kkc h GLU 51 Ca -0.16 -0.00 0.36 0.00 -0.13 0.00 0.00 59.36 59.43 3kkc h GLU 51 Cb 1.13 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 3kkc h GLU 51 CO 0.32 0.03 0.92 -1.54 -0.73 0.00 0.00 179.01 178.01 3kkc s SER 52 N -4.54 -0.01 0.56 1.04 1.04 -1.26 -4.99 113.70 105.54 3kkc s SER 52 Ca -0.06 -0.12 0.25 0.00 0.48 0.00 0.00 55.95 56.50 3kkc s SER 52 Cb 0.26 0.10 1.57 0.00 0.10 0.00 0.00 66.02 68.05 3kkc s SER 52 CO 0.84 -0.19 2.17 0.07 0.98 0.00 0.00 173.24 177.11 3kkc h LYS 53 N 2.00 0.00 -0.12 4.02 2.10 -2.02 -2.88 116.57 119.68 3kkc h LYS 53 Ca -0.26 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.30 3kkc h LYS 53 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3kkc h LYS 53 CO 0.30 0.00 -0.31 1.49 -2.00 0.00 0.00 179.45 178.93 3kkc h GLU 54 N 0.00 0.22 0.00 0.07 4.81 -1.97 -1.91 114.58 115.80 3kkc h GLU 54 Ca 0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3kkc h GLU 54 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3kkc h GLU 54 CO -0.00 0.52 0.00 1.33 -0.73 0.00 0.00 179.01 180.13 3kkc n VAL 55 N -4.11 0.11 0.02 0.32 0.24 -1.09 -2.21 118.33 111.62 3kkc n VAL 55 Ca -0.01 0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.13 3kkc n VAL 55 Cb 0.40 -0.56 -0.12 0.00 -1.47 0.00 0.00 33.84 32.09 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 0.53 -0.32 1.34 4.07 -1.47 -1.54 115.31 117.92 3kkc h LEU 56 Ca 0.00 -0.82 0.01 0.00 0.08 0.00 0.00 57.88 57.15 3kkc h LEU 56 Cb 0.41 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3kkc h LEU 56 CO 0.00 1.28 0.19 0.25 -1.08 0.00 0.00 178.44 179.09 3kkc h LEU 57 N -0.17 0.32 0.47 1.67 5.85 -1.49 0.33 115.31 122.29 3kkc h LEU 57 Ca -0.10 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3kkc h LEU 57 Cb 1.43 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3kkc h LEU 57 CO 0.13 0.23 -0.24 0.50 -0.34 0.00 0.00 178.44 178.73 3kkc h LYS 58 N 0.40 -0.63 -0.80 1.25 3.64 -1.51 -0.37 116.57 118.55 3kkc h LYS 58 Ca 0.12 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3kkc h LYS 58 Cb -0.02 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.83 3kkc h LYS 58 CO -0.05 -0.42 -0.55 0.93 -2.27 0.00 0.00 179.45 177.10 3kkc h GLU 59 N -0.65 -0.13 0.00 1.90 5.08 -1.29 0.49 114.58 119.99 3kkc h GLU 59 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kkc h GLU 59 Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kkc h GLU 59 CO 0.10 -0.08 0.00 -0.11 -1.00 0.00 0.00 179.01 177.91 3kkc n LEU 60 N -5.32 0.00 -0.26 1.33 7.94 0.11 -0.33 117.00 120.47 3kkc n LEU 60 Ca 0.01 0.74 0.01 0.00 -1.11 0.00 0.00 56.01 55.67 3kkc n LEU 60 Cb 0.30 -0.24 0.06 0.00 0.53 0.00 0.00 43.42 44.07 3kkc n LEU 60 CO -0.10 -0.24 0.43 0.00 -1.11 0.00 0.00 177.39 176.37 3kkc h GLU 62 N 0.00 -0.28 0.27 0.00 4.81 0.13 0.23 114.58 119.74 3kkc h GLU 62 Ca 0.28 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3kkc h GLU 62 Cb 0.46 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3kkc h GLU 62 CO -0.70 -0.18 -0.24 -0.44 -0.73 0.00 0.00 179.01 176.72 3kkc h ASP 63 N -0.29 -0.62 -0.86 1.04 3.32 0.23 -1.25 116.42 117.98 3kkc h ASP 63 Ca 0.15 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.34 3kkc h ASP 63 Cb 0.54 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 3kkc h ASP 63 CO -0.49 -0.35 0.51 -0.07 -1.72 0.00 0.00 179.24 177.13 3kkc h LEU 64 N -0.52 0.76 -0.05 1.55 4.07 0.31 -1.53 115.31 119.90 3kkc h LEU 64 Ca -0.01 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 3kkc h LEU 64 Cb 0.47 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3kkc h LEU 64 CO -0.03 0.45 -0.63 -0.26 -1.08 0.00 0.00 178.44 176.88 3kkc h PHE 65 N 0.88 0.00 -0.39 1.13 0.04 -0.53 -2.26 116.94 115.81 3kkc h PHE 65 Ca 0.41 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.09 3kkc h PHE 65 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3kkc h PHE 65 CO -0.04 0.63 -0.09 1.25 -0.60 0.00 0.00 178.31 179.45 3kkc h HIS 66 N 0.00 0.84 -0.06 -0.55 2.76 -0.69 -2.26 115.15 115.19 3kkc h HIS 66 Ca -0.01 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 57.88 3kkc h HIS 66 Cb 1.46 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 3kkc h HIS 66 CO 0.00 0.89 -0.44 1.25 -1.30 0.00 0.00 177.93 178.32 3kkc h HIS 67 N 0.56 0.16 -0.00 5.26 -0.00 -1.23 -2.94 115.15 116.96 3kkc h HIS 67 Ca 0.10 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 3kkc h HIS 67 Cb 0.61 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 3kkc h HIS 67 CO 0.05 0.56 -0.19 -0.07 -0.00 0.00 0.00 177.93 178.28 3kkc h LEU 68 N 0.11 0.17 0.00 0.26 3.38 -1.35 -3.44 115.31 114.46 3kkc h LEU 68 Ca 0.01 -0.77 -0.05 0.00 0.09 0.00 0.00 57.88 57.16 3kkc h LEU 68 Cb 0.83 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3kkc h LEU 68 CO 0.06 0.92 -0.70 0.49 0.09 0.00 0.00 178.44 179.30 3kkc n PHE 69 N -4.56 0.00 0.17 1.13 3.72 -0.86 -4.63 117.46 112.44 3kkc n PHE 69 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3kkc n PHE 69 Cb 0.47 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 -3.60 0.17 -2.29 -1.08 5.02 -1.11 -4.63 118.16 110.63 3kkc n LYS 70 Ca -0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 3kkc n LYS 70 Cb 0.31 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 3kkc n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kkc s GLN 71 N -1.00 4.45 -0.30 1.97 -1.52 -1.24 -4.93 119.66 117.09 3kkc s GLN 71 Ca 0.00 1.97 0.09 0.00 -1.95 0.00 0.00 55.36 55.48 3kkc s GLN 71 Cb 0.00 -3.20 0.71 0.00 -0.22 0.00 0.00 33.01 30.29 3kkc s GLN 71 CO 0.00 -0.14 1.74 0.41 -0.25 0.00 0.00 175.29 177.05 3kkc n GLY 72 N 2.03 3.47 3.59 3.09 0.00 -1.26 -4.97 105.19 111.14 3kkc n GLY 72 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3kkc n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kkc s ARG 73 N -2.81 3.01 -0.36 1.61 6.06 -1.26 -4.88 118.95 120.32 3kkc s ARG 73 Ca 0.52 1.54 -0.27 0.00 -2.50 0.00 0.00 55.73 55.01 3kkc s ARG 73 Cb 0.41 -4.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.04 3kkc s ARG 73 CO 0.13 -2.24 2.12 0.16 -2.50 0.00 0.00 175.30 172.97 3kkc s ASP 74 N 7.95 5.28 0.29 -2.12 3.84 -1.26 -4.91 116.67 125.74 3kkc s ASP 74 Ca 0.88 1.37 -0.10 0.00 -0.00 0.00 0.00 52.55 54.71 3kkc s ASP 74 Cb -0.24 -2.51 0.00 0.00 -1.38 0.00 0.00 42.92 38.79 3kkc s ASP 74 CO 0.32 -2.18 0.50 0.68 -0.00 0.00 0.00 175.17 174.49 3kkc s VAL 75 N 9.03 0.00 0.68 2.11 -7.23 -1.26 -5.13 120.40 118.60 3kkc s VAL 75 Ca 0.91 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 3kkc s VAL 75 Cb -0.24 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 3kkc s VAL 75 CO 0.31 0.00 1.06 0.42 -0.31 0.00 0.00 175.10 176.57 3kkc s THR 76 N -3.58 4.14 0.23 5.32 -4.23 -1.26 -4.90 115.64 111.36 3kkc s THR 76 Ca 0.25 0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 3kkc s THR 76 Cb -0.01 -3.48 0.26 0.00 1.34 0.00 0.00 72.50 70.62 3kkc s THR 76 CO 0.13 -0.90 1.63 0.15 -0.54 0.00 0.00 174.62 175.08 3kkc h PHE 77 N -0.64 -0.17 0.00 3.99 3.57 -2.00 -2.25 116.94 119.44 3kkc h PHE 77 Ca -0.44 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3kkc h PHE 77 Cb 1.21 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3kkc h PHE 77 CO 0.63 -0.25 -0.06 1.05 -2.23 0.00 0.00 178.31 177.44 3kkc h GLU 78 N 0.06 0.00 -0.55 1.11 9.09 -1.99 -1.90 114.58 120.41 3kkc h GLU 78 Ca 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.76 3kkc h GLU 78 Cb 0.62 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.69 3kkc h GLU 78 CO -0.67 0.00 0.28 0.93 0.05 0.00 0.00 179.01 179.60 3kkc h GLU 79 N 0.00 0.78 -0.40 1.06 5.08 -1.81 0.02 114.58 119.32 3kkc h GLU 79 Ca 0.00 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3kkc h GLU 79 Cb 0.99 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3kkc h GLU 79 CO 0.00 0.62 0.20 -0.92 -1.00 0.00 0.00 179.01 177.91 3kkc h TYR 80 N 0.73 0.37 -0.12 4.33 3.20 -1.04 -0.23 116.97 124.21 3kkc h TYR 80 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3kkc h TYR 80 Cb 0.09 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3kkc h TYR 80 CO -0.01 0.19 0.07 -0.07 -1.64 0.00 0.00 178.16 176.70 3kkc h LEU 81 N 0.40 0.12 -0.75 2.82 4.07 -1.28 -2.53 115.31 118.15 3kkc h LEU 81 Ca 0.17 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.18 3kkc h LEU 81 Cb 0.07 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.73 3kkc h LEU 81 CO -0.12 0.09 0.45 0.58 -1.08 0.00 0.00 178.44 178.36 3kkc h VAL 82 N 0.15 1.01 -0.69 1.22 2.07 -0.46 -1.24 116.25 118.32 3kkc h VAL 82 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3kkc h VAL 82 Cb -0.01 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 3kkc h VAL 82 CO -0.02 0.15 0.36 -0.74 0.02 0.00 0.00 177.57 177.34 3kkc h HIS 83 N 0.82 0.96 0.46 1.57 -0.00 -0.95 0.42 115.15 118.43 3kkc h HIS 83 Ca 0.33 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3kkc h HIS 83 Cb 0.16 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 3kkc h HIS 83 CO -0.05 0.69 -0.32 0.82 -0.00 0.00 0.00 177.93 179.07 3kkc h ILE 84 N 0.94 0.34 -0.37 6.26 2.04 -1.00 -1.95 117.51 123.78 3kkc h ILE 84 Ca 0.24 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 3kkc h ILE 84 Cb 0.07 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3kkc h ILE 84 CO -0.04 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 178.30 3kkc h LEU 85 N -0.76 0.14 -0.35 1.44 4.07 -0.91 -2.23 115.31 116.71 3kkc h LEU 85 Ca -0.05 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.92 3kkc h LEU 85 Cb 0.64 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 3kkc h LEU 85 CO 0.03 0.09 0.22 0.50 -1.08 0.00 0.00 178.44 178.20 3kkc h LYS 86 N 0.16 0.44 -0.53 1.13 3.64 0.59 -2.24 116.57 119.77 3kkc h LYS 86 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kkc h LYS 86 Cb 0.47 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3kkc h LYS 86 CO -0.02 0.29 0.32 0.45 -2.27 0.00 0.00 179.45 178.22 3kkc h HIS 87 N 0.46 0.68 -0.26 1.91 3.86 -0.94 -2.77 115.15 118.09 3kkc h HIS 87 Ca 0.13 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 3kkc h HIS 87 Cb -0.04 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3kkc h HIS 87 CO -0.06 0.45 -0.44 0.74 0.86 0.00 0.00 177.93 179.49 3kkc h PHE 88 N 0.72 0.77 0.00 2.45 0.04 -1.28 -0.85 116.94 118.79 3kkc h PHE 88 Ca 0.19 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 3kkc h PHE 88 Cb -0.03 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 3kkc h PHE 88 CO 0.00 0.96 -0.14 1.05 -0.60 0.00 0.00 178.31 179.58 3kkc h GLU 89 N 0.52 0.00 -0.00 1.51 4.11 -1.16 -1.69 114.58 117.87 3kkc h GLU 89 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3kkc h GLU 89 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kkc h GLU 89 CO 0.09 0.14 -0.89 1.04 0.07 0.00 0.00 179.01 179.46 3kkc n GLN 90 N -3.24 0.11 -3.28 1.06 1.13 -1.22 -4.98 117.38 106.97 3kkc n GLN 90 Ca 0.01 -0.09 -0.17 0.00 -1.94 0.00 0.00 57.00 54.81 3kkc n GLN 90 Cb 0.43 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.37 -4.12 -4.46 1.08 5.15 -0.63 -4.84 115.26 106.06 3kkc n ASN 91 Ca 0.05 -0.45 -0.47 0.00 -0.60 0.00 0.00 54.58 53.10 3kkc n ASN 91 Cb 0.34 -4.13 -0.07 0.00 -0.53 0.00 0.00 39.78 35.38 3kkc n ASN 91 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kkc n GLN 92 N -3.85 0.92 -3.61 1.20 1.13 -0.39 -0.68 117.38 112.10 3kkc n GLN 92 Ca -0.09 0.20 -0.24 0.00 -1.94 0.00 0.00 57.00 54.94 3kkc n GLN 92 Cb 0.58 -2.48 0.08 0.00 0.11 0.00 0.00 30.24 28.53 3kkc n GLN 92 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3kkc n ASP 93 N 10.86 -5.82 -1.35 1.08 8.00 -1.26 -3.01 116.55 125.04 3kkc n ASP 93 Ca 0.44 -0.57 -0.15 0.00 0.71 0.00 0.00 54.79 55.21 3kkc n ASP 93 Cb 0.25 -4.93 -0.05 0.00 -0.02 0.00 0.00 41.12 36.37 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 -3.01 -4.77 -0.08 -2.24 7.64 0.14 -4.88 113.62 106.42 3kkc n SER 94 Ca -0.02 0.26 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 3kkc n SER 94 Cb 0.57 -3.71 0.17 0.00 -1.01 0.00 0.00 64.21 60.23 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 -0.14 0.44 2.10 -1.68 0.22 117.51 119.70 3kkc h ILE 95 Ca -0.33 -1.08 -0.01 0.00 1.08 0.00 0.00 64.86 64.52 3kkc h ILE 95 Cb 1.08 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 3kkc h ILE 95 CO 0.45 0.37 0.04 0.00 -1.08 0.00 0.00 178.15 177.93 3kkc h ALA 96 N 1.26 0.18 0.00 0.18 0.00 -1.85 -2.55 119.26 116.47 3kkc h ALA 96 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kkc h ALA 96 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kkc h ALA 96 CO 0.03 -0.19 -0.28 1.15 0.00 0.00 0.00 179.25 179.95 3kkc h THR 97 N 0.04 0.89 -0.45 0.00 2.02 -1.76 -0.50 112.91 113.15 3kkc h THR 97 Ca 0.04 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.00 3kkc h THR 97 Cb 0.23 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3kkc h THR 97 CO -0.00 0.28 -0.20 0.25 0.37 0.00 0.00 175.52 176.21 3kkc h LEU 98 N 0.00 0.96 -0.06 2.58 5.85 -0.33 -1.94 115.31 122.37 3kkc h LEU 98 Ca -0.00 -0.40 -0.24 0.00 0.84 0.00 0.00 57.88 58.08 3kkc h LEU 98 Cb 0.63 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.41 3kkc h LEU 98 CO 0.04 1.15 -0.90 0.25 -0.34 0.00 0.00 178.44 178.63 3kkc h LEU 99 N 0.78 0.90 -0.56 2.25 5.85 -1.01 -3.20 115.31 120.32 3kkc h LEU 99 Ca 0.10 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3kkc h LEU 99 Cb 0.78 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3kkc h LEU 99 CO 0.06 1.47 0.00 -0.07 -0.34 0.00 0.00 178.44 179.56 3kkc h LEU 100 N 0.42 0.00 -0.11 2.25 4.07 -1.12 -2.96 115.31 117.86 3kkc h LEU 100 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3kkc h LEU 100 Cb 1.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.29 3kkc h LEU 100 CO 0.18 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.00 3kkc n SER 101 N -2.59 0.67 0.00 -0.43 3.41 -0.73 -4.90 113.62 109.05 3kkc n SER 101 Ca 0.03 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3kkc n SER 101 Cb 0.35 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3kkc n SER 101 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kkc n ASP 102 N -2.14 -4.59 -4.55 4.04 8.00 -1.12 -4.91 116.55 111.28 3kkc n ASP 102 Ca 0.05 0.00 -0.53 0.00 0.71 0.00 0.00 54.79 55.02 3kkc n ASP 102 Cb 0.38 -2.11 -0.07 0.00 -0.02 0.00 0.00 41.12 39.30 3kkc n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kkc n ASP 103 N -0.53 2.33 -0.32 -2.24 2.03 -1.25 -4.77 116.55 111.79 3kkc n ASP 103 Ca 0.00 0.69 0.12 0.00 0.52 0.00 0.00 54.79 56.12 3kkc n ASP 103 Cb 0.27 -1.23 0.34 0.00 -0.72 0.00 0.00 41.12 39.78 3kkc n ASP 103 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3kkc h PRO 104 N 10.36 0.74 -0.34 -0.67 0.13 -1.94 -1.52 132.00 138.75 3kkc h PRO 104 Ca -0.35 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 3kkc h PRO 104 Cb 1.32 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3kkc h PRO 104 CO 1.00 0.49 -0.10 -0.92 -0.23 0.00 0.00 178.00 178.24 3kkc h TYR 105 N 0.76 0.75 -0.57 1.56 3.20 -2.00 -1.97 116.97 118.70 3kkc h TYR 105 Ca 0.51 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 3kkc h TYR 105 Cb 0.79 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3kkc h TYR 105 CO -0.00 0.84 -0.01 0.35 -1.64 0.00 0.00 178.16 177.69 3kkc h PHE 106 N 0.44 1.11 0.00 -3.82 3.57 -1.73 -2.38 116.94 114.14 3kkc h PHE 106 Ca 0.08 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3kkc h PHE 106 Cb 0.60 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3kkc h PHE 106 CO 0.05 1.00 -0.05 1.25 -2.23 0.00 0.00 178.31 178.33 3kkc h LEU 107 N 0.91 0.00 0.00 0.59 5.85 -1.22 -1.96 115.31 119.48 3kkc h LEU 107 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kkc h LEU 107 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3kkc h LEU 107 CO 0.03 0.05 -0.15 0.25 -0.34 0.00 0.00 178.44 178.28 3kkc h LEU 108 N 0.00 0.00 -1.85 2.25 6.46 -1.06 -2.71 115.31 118.41 3kkc h LEU 108 Ca -0.00 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 3kkc h LEU 108 Cb 0.35 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 3kkc h LEU 108 CO 0.01 0.68 -0.11 0.03 -0.62 0.00 0.00 178.44 178.43 3kkc h ARG 109 N -1.00 0.00 -0.05 1.25 2.47 -1.43 -1.62 114.38 114.00 3kkc h ARG 109 Ca -0.02 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 3kkc h ARG 109 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3kkc h ARG 109 CO -0.01 0.11 -0.18 0.35 0.56 0.00 0.00 179.97 180.81 3kkc h PHE 110 N 0.00 0.27 -0.31 3.04 3.57 -1.48 -2.22 116.94 119.82 3kkc h PHE 110 Ca -0.00 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.42 3kkc h PHE 110 Cb 0.22 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3kkc h PHE 110 CO 0.00 0.81 0.21 -0.09 -2.23 0.00 0.00 178.31 177.00 3kkc h ARG 111 N -0.35 0.27 0.00 1.11 2.43 -1.11 -1.64 114.38 115.09 3kkc h ARG 111 Ca -0.01 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3kkc h ARG 111 Cb 0.82 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3kkc h ARG 111 CO 0.04 0.18 -0.63 1.03 -1.51 0.00 0.00 179.97 179.07 3kkc h SER 112 N 0.27 0.00 -0.08 -3.80 0.87 -1.11 -2.02 113.55 107.69 3kkc h SER 112 Ca 0.13 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3kkc h SER 112 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3kkc h SER 112 CO -0.03 0.63 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.39 3kkc h GLU 113 N 0.00 0.27 -0.92 2.24 4.39 -0.69 -2.96 114.58 116.91 3kkc h GLU 113 Ca -0.01 -0.18 0.25 0.00 0.34 0.00 0.00 59.36 59.76 3kkc h GLU 113 Cb 1.14 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.68 3kkc h GLU 113 CO 0.08 0.78 0.40 -0.07 -1.16 0.00 0.00 179.01 179.04 3kkc h LEU 114 N -0.21 0.29 -1.68 1.33 3.38 -1.37 0.98 115.31 118.04 3kkc h LEU 114 Ca -0.00 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3kkc h LEU 114 Cb 0.79 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3kkc h LEU 114 CO 0.04 -0.07 -0.17 -0.33 0.09 0.00 0.00 178.44 178.00 3kkc h GLU 115 N 0.34 0.00 0.01 1.13 5.08 -1.21 0.20 114.58 120.13 3kkc h GLU 115 Ca 0.60 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.61 3kkc h GLU 115 Cb 1.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 3kkc h GLU 115 CO -0.58 0.17 -2.20 1.58 -1.00 0.00 0.00 179.01 176.99 3kkc n HIS 116 N -4.24 0.36 0.00 4.33 -0.00 0.03 -4.36 115.22 111.33 3kkc n HIS 116 Ca -0.02 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.27 3kkc n HIS 116 Cb 0.24 -1.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.05 3kkc n HIS 116 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3kkc n ASP 117 N -2.96 3.18 -0.08 0.26 8.00 0.13 -4.73 116.55 120.33 3kkc n ASP 117 Ca -0.31 -0.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.92 3kkc n ASP 117 Cb 1.10 0.91 -0.07 0.00 -0.02 0.00 0.00 41.12 43.04 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 -1.23 0.94 0.12 2.53 0.31 -0.57 -4.73 118.33 115.71 3kkc n VAL 118 Ca 0.00 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 3kkc n VAL 118 Cb 0.00 -1.25 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.17 -0.24 -0.71 3.52 3.20 -0.84 -1.69 116.97 120.04 3kkc h TYR 119 Ca -0.38 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.59 3kkc h TYR 119 Cb 1.52 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.79 3kkc h TYR 119 CO -0.00 -0.06 0.32 -1.35 -1.64 0.00 0.00 178.16 175.43 3kkc h PRO 120 N -0.37 0.51 -0.35 1.82 0.11 -1.83 0.15 132.00 132.04 3kkc h PRO 120 Ca -0.03 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3kkc h PRO 120 Cb 0.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3kkc h PRO 120 CO 0.04 0.34 -0.14 0.00 -0.21 0.00 0.00 178.00 178.03 3kkc h ARG 121 N 0.53 0.71 -0.92 1.05 3.08 -1.84 -2.65 114.38 114.35 3kkc h ARG 121 Ca 0.37 -0.30 0.12 0.00 0.07 0.00 0.00 59.98 60.24 3kkc h ARG 121 Cb 0.46 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 3kkc h ARG 121 CO -0.32 0.90 0.59 1.25 -1.07 0.00 0.00 179.97 181.32 3kkc h LEU 122 N 0.50 0.77 0.53 3.04 5.85 -0.24 -1.52 115.31 124.24 3kkc h LEU 122 Ca 0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kkc h LEU 122 Cb 0.67 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.58 3kkc h LEU 122 CO 0.05 0.42 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.22 3kkc h ARG 123 N 0.83 -0.69 0.00 1.25 1.12 -0.66 -2.20 114.38 114.03 3kkc h ARG 123 Ca 0.45 0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.34 3kkc h ARG 123 Cb 0.56 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.67 3kkc h ARG 123 CO -0.21 -0.46 -0.10 1.49 -3.11 0.00 0.00 179.97 177.57 3kkc h GLU 124 N -1.05 0.00 0.00 0.20 4.81 -1.26 -2.71 114.58 114.57 3kkc h GLU 124 Ca -0.07 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3kkc h GLU 124 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3kkc h GLU 124 CO 0.12 0.10 -1.70 -1.91 -0.73 0.00 0.00 179.01 174.90 3kkc n GLU 125 N -3.65 0.82 -0.00 1.92 2.13 -0.59 -4.65 120.64 116.62 3kkc n GLU 125 Ca -0.02 -0.09 0.02 0.00 0.66 0.00 0.00 57.16 57.73 3kkc n GLU 125 Cb 0.22 -1.33 -0.04 0.00 0.27 0.00 0.00 31.44 30.57 3kkc n GLU 125 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3kkc n TYR 126 N -2.11 0.00 -3.77 4.31 4.02 -0.83 -4.94 117.16 113.83 3kkc n TYR 126 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.44 3kkc n TYR 126 Cb 0.51 -0.10 -0.13 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.24 3.76 -0.21 -0.72 -1.09 -1.02 -0.92 121.20 118.76 3kkc s ILE 127 Ca -0.01 -0.99 0.06 0.00 -2.23 0.00 0.00 60.65 57.47 3kkc s ILE 127 Cb 0.03 -3.05 -0.21 0.00 -1.58 0.00 0.00 42.46 37.65 3kkc s ILE 127 CO 0.20 -0.07 0.01 0.41 -1.23 0.00 0.00 174.94 174.25 3kkc n THR 128 N 4.81 1.52 -1.24 2.92 -1.04 -1.16 -4.75 114.28 115.34 3kkc n THR 128 Ca -0.13 -0.68 -0.29 0.00 -2.04 0.00 0.00 64.05 60.91 3kkc n THR 128 Cb 0.46 -1.19 0.17 0.00 -1.82 0.00 0.00 70.33 67.95 3kkc n THR 128 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kkc s LYS 129 N -2.52 0.41 -0.28 -2.82 -0.14 -1.25 -5.02 119.74 108.11 3kkc s LYS 129 Ca -0.24 0.40 0.21 0.00 -1.36 0.00 0.00 55.97 54.98 3kkc s LYS 129 Cb 0.08 -1.74 0.49 0.00 -1.68 0.00 0.00 37.83 34.97 3kkc s LYS 129 CO 0.70 -2.72 1.21 1.33 -0.76 0.00 0.00 175.35 175.11 3kkc n VAL 130 N -4.15 0.97 0.36 3.17 0.24 -1.26 -4.85 118.33 112.82 3kkc n VAL 130 Ca 0.06 -2.48 0.10 0.00 -2.04 0.00 0.00 64.34 59.97 3kkc n VAL 130 Cb 0.58 1.22 0.16 0.00 -1.47 0.00 0.00 33.84 34.33 3kkc n VAL 130 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3kkc n ASP 131 N -0.80 3.03 -4.42 -1.34 5.75 -1.26 -4.85 116.55 112.66 3kkc n ASP 131 Ca 0.01 -1.89 -0.34 0.00 -0.01 0.00 0.00 54.79 52.57 3kkc n ASP 131 Cb 0.82 -0.16 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 3kkc n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3kkc s ILE 132 N -1.37 3.49 0.99 2.12 1.01 -1.26 -5.11 121.20 121.06 3kkc s ILE 132 Ca 0.30 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 3kkc s ILE 132 Cb 0.18 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 40.22 3kkc s ILE 132 CO 0.26 0.50 0.50 -2.65 0.00 0.00 0.00 174.94 173.54 3kkc n PRO 133 N 3.69 -0.65 -0.01 2.79 -0.02 -1.26 -4.81 135.00 134.73 3kkc n PRO 133 Ca -0.18 -0.15 -0.18 0.00 -2.02 0.00 0.00 63.50 60.97 3kkc n PRO 133 Cb 0.52 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3kkc n PRO 133 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kkc h GLU 134 N -1.77 0.79 -0.03 -0.52 4.57 -1.99 -2.76 114.58 112.88 3kkc h GLU 134 Ca -0.46 -0.68 -0.09 0.00 -1.18 0.00 0.00 59.36 56.95 3kkc h GLU 134 Cb 1.29 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 3kkc h GLU 134 CO 0.37 1.28 -0.40 0.38 -1.18 0.00 0.00 179.01 179.46 3kkc h ASP 135 N 0.52 0.06 0.15 1.04 2.03 -1.99 0.24 116.42 118.46 3kkc h ASP 135 Ca -0.07 -0.02 -0.22 0.00 -0.73 0.00 0.00 57.03 55.99 3kkc h ASP 135 Cb 1.47 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.96 3kkc h ASP 135 CO 0.17 0.45 -0.87 0.15 -1.03 0.00 0.00 179.24 178.11 3kkc h PHE 136 N 0.05 0.78 0.41 4.15 3.57 -1.93 -1.99 116.94 121.97 3kkc h PHE 136 Ca 0.00 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 3kkc h PHE 136 Cb 0.72 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3kkc h PHE 136 CO 0.00 1.19 -0.24 1.25 -2.23 0.00 0.00 178.31 178.28 3kkc h LEU 137 N 0.34 -0.60 -0.15 0.59 5.85 -1.10 -0.18 115.31 120.06 3kkc h LEU 137 Ca -0.07 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3kkc h LEU 137 Cb 1.49 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 3kkc h LEU 137 CO 0.16 -0.39 -0.21 0.50 -0.34 0.00 0.00 178.44 178.16 3kkc h LYS 138 N -0.62 -0.25 -0.56 1.25 3.64 -0.43 -1.75 116.57 117.86 3kkc h LYS 138 Ca -0.05 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3kkc h LYS 138 Cb 0.50 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3kkc h LYS 138 CO 0.05 -0.17 0.16 0.37 -2.27 0.00 0.00 179.45 177.60 3kkc h GLN 139 N -0.26 0.88 -0.25 1.90 -0.00 -1.30 -2.08 115.11 114.00 3kkc h GLN 139 Ca 0.11 -0.20 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 3kkc h GLN 139 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 3kkc h GLN 139 CO -0.30 0.81 -0.16 0.35 0.00 0.00 0.00 178.83 179.53 3kkc h PHE 140 N 0.79 0.46 0.01 3.99 3.57 -0.71 -2.70 116.94 122.35 3kkc h PHE 140 Ca 0.18 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kkc h PHE 140 Cb 0.30 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3kkc h PHE 140 CO 0.02 0.57 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.60 3kkc h LEU 141 N 0.39 -0.01 -0.26 0.59 4.07 -1.05 -2.08 115.31 116.96 3kkc h LEU 141 Ca 0.07 -0.71 -0.00 0.00 0.08 0.00 0.00 57.88 57.31 3kkc h LEU 141 Cb 0.51 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3kkc h LEU 141 CO 0.03 0.83 0.15 -0.07 -1.08 0.00 0.00 178.44 178.30 3kkc h LEU 142 N -0.97 0.33 -0.73 1.67 4.07 -1.49 -0.73 115.31 117.46 3kkc h LEU 142 Ca -0.00 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.75 3kkc h LEU 142 Cb 0.73 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 3kkc h LEU 142 CO 0.00 0.31 -0.41 -1.28 -1.08 0.00 0.00 178.44 175.99 3kkc h SER 143 N 0.32 0.52 1.14 -0.43 0.87 -1.60 -1.79 113.55 112.59 3kkc h SER 143 Ca 0.09 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 3kkc h SER 143 Cb 0.05 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3kkc h SER 143 CO -0.02 0.87 -0.41 0.77 -0.53 0.00 0.00 176.83 177.52 3kkc h SER 144 N 0.41 0.00 0.35 6.23 4.64 -1.22 -1.07 113.55 122.89 3kkc h SER 144 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3kkc h SER 144 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3kkc h SER 144 CO 0.08 0.41 -0.17 0.15 -0.87 0.00 0.00 176.83 176.43 3kkc h PHE 145 N 0.00 -0.43 -0.70 4.77 3.57 -0.79 -0.25 116.94 123.11 3kkc h PHE 145 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3kkc h PHE 145 Cb 1.09 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 3kkc h PHE 145 CO 0.00 -0.10 0.33 0.82 -2.23 0.00 0.00 178.31 177.13 3kkc h ILE 146 N -0.81 0.81 -0.27 1.41 2.04 -1.30 -1.61 117.51 117.77 3kkc h ILE 146 Ca -0.05 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.43 3kkc h ILE 146 Cb 0.52 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3kkc h ILE 146 CO 0.08 0.10 -0.58 -0.08 0.00 0.00 0.00 178.15 177.67 3kkc h GLU 147 N 0.56 0.87 -0.25 2.37 4.57 -1.23 -0.98 114.58 120.50 3kkc h GLU 147 Ca 0.35 -0.57 0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3kkc h GLU 147 Cb 0.40 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3kkc h GLU 147 CO -0.29 1.21 -0.14 1.15 -1.18 0.00 0.00 179.01 179.75 3kkc h THR 148 N 0.66 0.57 0.02 0.32 2.02 -0.68 -1.90 112.91 113.93 3kkc h THR 148 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3kkc h THR 148 Cb 1.19 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3kkc h THR 148 CO 0.13 0.00 -0.34 0.25 0.37 0.00 0.00 175.52 175.92 3kkc h LEU 149 N -0.12 -1.02 -0.69 2.58 5.85 -1.12 -1.29 115.31 119.50 3kkc h LEU 149 Ca 0.14 0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.10 3kkc h LEU 149 Cb 0.33 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3kkc h LEU 149 CO -0.32 -0.41 0.27 0.11 -0.34 0.00 0.00 178.44 177.75 3kkc h LYS 150 N -0.51 0.44 -0.58 1.25 1.57 -1.06 -1.51 116.57 116.17 3kkc h LYS 150 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3kkc h LYS 150 Cb 0.59 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3kkc h LYS 150 CO -0.26 0.29 0.30 2.35 -0.57 0.00 0.00 179.45 181.55 3kkc h TRP 151 N 0.45 0.81 -0.74 -1.35 7.01 -0.69 -2.23 115.95 119.22 3kkc h TRP 151 Ca 0.36 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 3kkc h TRP 151 Cb 0.48 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 3kkc h TRP 151 CO -0.16 0.61 0.38 2.35 -2.79 0.00 0.00 178.44 178.82 3kkc h TRP 152 N 0.78 1.04 0.00 2.65 7.01 -0.65 -2.32 115.95 124.47 3kkc h TRP 152 Ca 0.20 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.10 3kkc h TRP 152 Cb 0.08 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 3kkc h TRP 152 CO -0.01 0.76 -0.29 -0.07 -2.79 0.00 0.00 178.44 176.04 3kkc h LEU 153 N 1.03 0.00 -0.07 0.65 3.38 -0.91 -1.54 115.31 117.85 3kkc h LEU 153 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3kkc h LEU 153 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kkc h LEU 153 CO -0.04 0.29 0.00 1.41 0.09 0.00 0.00 178.44 180.19 3kkc n HIS 154 N -3.90 0.52 -2.49 1.13 8.25 -0.87 -4.82 115.22 113.04 3kkc n HIS 154 Ca -0.02 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 3kkc n HIS 154 Cb 0.36 -0.76 -0.03 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.08 4.48 0.09 -0.41 -1.52 -0.58 -4.93 119.66 113.72 3kkc s GLN 155 Ca 0.11 1.70 -0.05 0.00 -1.95 0.00 0.00 55.36 55.17 3kkc s GLN 155 Cb 0.14 -3.35 -0.23 0.00 -0.22 0.00 0.00 33.01 29.36 3kkc s GLN 155 CO 0.53 -0.16 1.19 0.00 -0.25 0.00 0.00 175.29 176.60 3kkc h ARG 156 N 6.46 0.33 -4.37 2.91 -0.00 -1.88 -3.38 114.38 114.45 3kkc h ARG 156 Ca -0.42 -0.48 -0.68 0.00 -0.50 0.00 0.00 59.98 57.90 3kkc h ARG 156 Cb 1.21 0.17 -0.36 0.00 0.00 0.00 0.00 29.97 30.99 3kkc h ARG 156 CO 0.78 1.19 -0.57 -0.65 0.00 0.00 0.00 179.97 180.73 3kkc s GLN 157 N -2.84 1.95 0.00 0.04 -1.52 -1.26 -5.22 119.66 110.81 3kkc s GLN 157 Ca -0.05 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 51.41 3kkc s GLN 157 Cb 0.07 -3.51 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 3kkc s GLN 157 CO 0.88 -1.06 0.00 0.36 -0.25 0.00 0.00 175.29 175.22 3kkc n LYS 158 N 4.32 3.78 -3.64 2.91 2.85 -1.26 -5.16 118.16 121.96 3kkc n LYS 158 Ca 0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.97 3kkc n LYS 158 Cb 0.41 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.75 3kkc n LYS 158 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3kkc s THR 160 N 3.32 5.16 0.39 0.58 -4.23 -1.26 -5.14 115.64 114.46 3kkc s THR 160 Ca 0.00 -0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.54 3kkc s THR 160 Cb 0.00 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.50 3kkc s THR 160 CO 0.00 -0.07 1.92 -0.37 -0.54 0.00 0.00 174.62 175.56 3kkc h VAL 161 N 1.81 0.88 -0.37 2.29 -1.51 -1.96 -1.50 116.25 115.89 3kkc h VAL 161 Ca -0.47 -0.20 -0.10 0.00 -1.23 0.00 0.00 66.70 64.70 3kkc h VAL 161 Cb 1.18 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 3kkc h VAL 161 CO 0.70 0.11 -0.16 1.05 -1.23 0.00 0.00 177.57 178.04 3kkc h GLU 162 N 0.59 0.75 -0.31 5.19 9.09 -1.98 -0.27 114.58 127.64 3kkc h GLU 162 Ca 0.37 -0.32 0.06 0.00 0.05 0.00 0.00 59.36 59.51 3kkc h GLU 162 Cb 0.61 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.63 3kkc h GLU 162 CO -0.14 0.93 -0.05 -0.44 0.05 0.00 0.00 179.01 179.37 3kkc h ASP 163 N 0.55 -0.23 -0.64 3.06 3.32 -1.74 -0.95 116.42 119.79 3kkc h ASP 163 Ca 0.08 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3kkc h ASP 163 Cb 0.70 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3kkc h ASP 163 CO 0.05 -0.08 0.20 0.25 -1.72 0.00 0.00 179.24 177.94 3kkc h LEU 164 N 0.03 0.93 -1.63 1.55 5.85 -1.16 0.09 115.31 120.97 3kkc h LEU 164 Ca 0.15 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kkc h LEU 164 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3kkc h LEU 164 CO -0.30 0.89 0.03 0.25 -0.34 0.00 0.00 178.44 178.98 3kkc h LEU 165 N 0.92 0.24 0.44 2.25 5.85 -0.87 -1.11 115.31 123.03 3kkc h LEU 165 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3kkc h LEU 165 Cb 0.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kkc h LEU 165 CO -0.01 0.26 -0.21 0.50 -0.34 0.00 0.00 178.44 178.65 3kkc h LYS 166 N 0.27 -0.57 -0.19 1.25 3.64 -0.34 -1.98 116.57 118.65 3kkc h LYS 166 Ca 0.07 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3kkc h LYS 166 Cb 0.13 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3kkc h LYS 166 CO -0.00 -0.38 0.19 1.88 -2.27 0.00 0.00 179.45 178.87 3kkc h TYR 167 N -1.08 0.00 0.04 1.91 0.05 -0.93 -0.36 116.97 116.59 3kkc h TYR 167 Ca -0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 3kkc h TYR 167 Cb 0.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.20 3kkc h TYR 167 CO 0.01 0.00 -0.39 -0.92 -1.05 0.00 0.00 178.16 175.81 3kkc h TYR 168 N 0.00 0.32 -0.54 4.88 3.20 -1.22 -3.33 116.97 120.27 3kkc h TYR 168 Ca 0.09 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 3kkc h TYR 168 Cb 0.48 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3kkc h TYR 168 CO 0.00 1.07 0.15 -0.07 -1.64 0.00 0.00 178.16 177.67 3kkc h LEU 169 N -0.52 0.77 -2.76 2.82 4.07 -0.50 -2.02 115.31 117.17 3kkc h LEU 169 Ca -0.06 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3kkc h LEU 169 Cb 1.21 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3kkc h LEU 169 CO 0.07 0.74 0.00 0.35 -1.08 0.00 0.00 178.44 178.53 3kkc n THR 170 N -4.28 0.85 0.00 0.22 -2.24 -0.24 -1.03 114.28 107.56 3kkc n THR 170 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3kkc n THR 170 Cb 0.21 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 1.25 0.00 -1.62 2.28 0.24 -0.76 -4.94 118.33 114.77 3kkc n VAL 172 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kkc n VAL 172 Cb 0.28 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.66 3kkc n VAL 172 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kkc n GLU 173 N 0.00 1.41 0.00 7.34 0.28 -0.19 -4.87 120.64 124.60 3kkc n GLU 173 Ca 0.00 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 3kkc n GLU 173 Cb 0.00 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 30.76 3kkc n GLU 173 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84