#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klc s LYS 24 N 0.00 2.35 0.45 0.54 2.47 -1.26 -5.14 119.74 119.14 2klc s LYS 24 Ca 0.00 -0.88 -0.12 0.00 -1.56 0.00 0.00 55.97 53.42 2klc s LYS 24 Cb 0.00 -2.40 -0.07 0.00 -1.46 0.00 0.00 37.83 33.90 2klc s LYS 24 CO 0.00 0.55 0.84 -1.50 0.16 0.00 0.00 175.35 175.40 2klc s ILE 25 N -1.12 4.73 -0.62 5.43 2.07 -1.26 -5.00 121.20 125.43 2klc s ILE 25 Ca 0.20 0.76 -0.28 0.00 -1.41 0.00 0.00 60.65 59.92 2klc s ILE 25 Cb -0.11 -3.74 0.03 0.00 0.13 0.00 0.00 42.46 38.77 2klc s ILE 25 CO 0.11 -0.61 1.21 -0.32 -1.91 0.00 0.00 174.94 173.42 2klc s MET 26 N -4.01 3.44 -0.92 3.50 -2.45 -0.40 -4.77 119.30 113.70 2klc s MET 26 Ca 0.53 0.14 -0.22 0.00 -1.25 0.00 0.00 55.69 54.89 2klc s MET 26 Cb -0.10 -4.05 0.07 0.00 1.25 0.00 0.00 34.83 32.00 2klc s MET 26 CO 0.33 -1.78 1.27 0.15 1.05 0.00 0.00 175.02 176.04 2klc s LYS 27 N 5.12 3.49 -0.44 4.11 -0.14 -1.26 -1.57 119.74 129.04 2klc s LYS 27 Ca 0.41 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.65 2klc s LYS 27 Cb -0.08 -4.95 0.03 0.00 -1.68 0.00 0.00 37.83 31.15 2klc s LYS 27 CO 0.23 -2.02 0.57 0.08 -0.76 0.00 0.00 175.35 173.45 2klc s VAL 28 N 4.26 4.92 -0.31 3.17 1.01 0.12 -2.19 120.40 131.38 2klc s VAL 28 Ca 0.38 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 2klc s VAL 28 Cb -0.04 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2klc s VAL 28 CO -0.05 -0.58 0.75 -0.89 0.00 0.00 0.00 175.10 174.34 2klc s THR 29 N 2.56 4.82 -0.37 3.92 2.01 -1.12 -0.65 115.64 126.81 2klc s THR 29 Ca 0.18 1.07 -0.15 0.00 0.31 0.00 0.00 61.69 63.10 2klc s THR 29 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2klc s THR 29 CO 0.16 -0.24 0.35 -0.69 -0.69 0.00 0.00 174.62 173.50 2klc s VAL 30 N 2.89 5.19 -0.16 3.82 1.01 -0.22 -0.77 120.40 132.15 2klc s VAL 30 Ca 0.30 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2klc s VAL 30 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2klc s VAL 30 CO 0.13 -0.20 0.10 -0.75 0.00 0.00 0.00 175.10 174.37 2klc s LYS 31 N 1.93 3.79 0.28 2.72 2.36 -0.73 -1.38 119.74 128.71 2klc s LYS 31 Ca 0.10 -0.26 0.02 0.00 -2.55 0.00 0.00 55.97 53.28 2klc s LYS 31 Cb -0.17 -3.22 -0.05 0.00 -1.05 0.00 0.00 37.83 33.34 2klc s LYS 31 CO 0.12 0.47 0.10 0.95 1.55 0.00 0.00 175.35 178.53 2klc s THR 32 N -0.15 0.61 -0.93 3.43 -4.23 -0.37 -2.60 115.64 111.38 2klc s THR 32 Ca 0.09 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 2klc s THR 32 Cb -0.12 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.17 2klc s THR 32 CO 0.01 0.00 1.29 -0.81 -0.54 0.00 0.00 174.62 174.57 2klc n PRO 33 N -0.53 0.02 -0.02 3.99 -0.04 -1.26 -3.32 135.00 133.84 2klc n PRO 33 Ca -0.00 0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2klc n PRO 33 Cb 0.66 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2klc n PRO 33 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2klc h LYS 34 N 0.00 0.00 -2.54 0.54 6.56 -1.92 -3.51 116.57 115.70 2klc h LYS 34 Ca 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.76 2klc h LYS 34 Cb 0.14 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.76 2klc h LYS 34 CO 0.00 0.00 0.61 -1.83 -2.06 0.00 0.00 179.45 176.17 2klc s GLU 35 N -1.25 1.27 -0.18 3.15 -1.05 -1.21 -5.04 118.70 114.39 2klc s GLU 35 Ca -0.00 -0.83 -0.07 0.00 -0.15 0.00 0.00 54.97 53.92 2klc s GLU 35 Cb 0.00 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2klc s GLU 35 CO 0.00 -0.60 0.05 -1.59 0.95 0.00 0.00 175.26 174.08 2klc s LYS 36 N -2.11 3.94 -0.14 -4.83 -2.85 -1.26 -1.24 119.74 111.25 2klc s LYS 36 Ca 0.23 -0.36 -0.01 0.00 -1.00 0.00 0.00 55.97 54.83 2klc s LYS 36 Cb -0.03 -3.20 0.03 0.00 -2.06 0.00 0.00 37.83 32.58 2klc s LYS 36 CO 0.05 0.26 -0.06 -2.00 0.10 0.00 0.00 175.35 173.70 2klc s GLU 37 N 0.41 1.41 -0.41 1.78 2.56 -0.48 -4.98 118.70 118.99 2klc s GLU 37 Ca 0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 54.97 54.45 2klc s GLU 37 Cb -0.13 -1.78 0.02 0.00 2.00 0.00 0.00 34.13 34.24 2klc s GLU 37 CO 0.01 -0.36 0.42 -2.00 -0.56 0.00 0.00 175.26 172.76 2klc s GLU 38 N 1.69 3.12 0.37 4.30 2.12 -1.26 -1.06 118.70 127.98 2klc s GLU 38 Ca 0.03 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 2klc s GLU 38 Cb -0.14 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 2klc s GLU 38 CO -0.08 -0.81 0.66 -0.06 -0.54 0.00 0.00 175.26 174.43 2klc s PHE 39 N 2.08 3.50 -0.20 5.30 0.40 0.17 -4.90 117.98 124.33 2klc s PHE 39 Ca 0.11 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 2klc s PHE 39 Cb -0.17 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.20 2klc s PHE 39 CO 0.13 -0.02 -0.15 0.00 0.70 0.00 0.00 175.22 175.88 2klc s ALA 40 N -2.36 2.28 -0.01 5.36 0.00 -1.26 -0.70 121.76 125.07 2klc s ALA 40 Ca 0.46 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 51.12 2klc s ALA 40 Cb -0.10 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2klc s ALA 40 CO 0.35 -0.67 -0.11 0.14 0.00 0.00 0.00 175.76 175.47 2klc s VAL 41 N 1.28 0.90 -0.02 0.00 -7.23 -0.61 -4.93 120.40 109.79 2klc s VAL 41 Ca 0.00 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2klc s VAL 41 Cb -0.15 -0.76 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 2klc s VAL 41 CO -0.10 0.26 2.61 -0.81 -0.31 0.00 0.00 175.10 176.75 2klc n PRO 42 N 2.82 1.42 -0.48 4.82 -0.04 -1.26 -1.28 135.00 141.00 2klc n PRO 42 Ca -0.14 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2klc n PRO 42 Cb 0.56 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2klc n PRO 42 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2klc n GLU 43 N 1.82 -0.74 -0.06 0.54 0.28 -1.26 -4.61 120.64 116.61 2klc n GLU 43 Ca 0.18 0.13 -0.06 0.00 -0.16 0.00 0.00 57.16 57.24 2klc n GLU 43 Cb 0.66 -3.77 -0.09 0.00 1.43 0.00 0.00 31.44 29.67 2klc n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2klc n ASN 44 N 0.06 2.30 -4.55 -1.84 5.15 -1.26 -4.84 115.26 110.27 2klc n ASN 44 Ca 0.00 -0.01 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 2klc n ASN 44 Cb 0.13 0.61 -0.04 0.00 -0.53 0.00 0.00 39.78 39.95 2klc n ASN 44 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2klc s SER 45 N -4.58 4.24 1.04 1.20 0.01 -1.26 -4.96 113.70 109.39 2klc s SER 45 Ca -0.08 0.76 -0.15 0.00 1.31 0.00 0.00 55.95 57.80 2klc s SER 45 Cb 0.04 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.96 2klc s SER 45 CO 0.45 -3.22 1.12 -0.44 0.41 0.00 0.00 173.24 171.56 2klc s SER 46 N 11.86 2.31 0.43 2.44 0.01 -1.26 -4.73 113.70 124.76 2klc s SER 46 Ca 0.96 0.92 0.10 0.00 1.31 0.00 0.00 55.95 59.24 2klc s SER 46 Cb -0.16 -1.41 0.96 0.00 0.21 0.00 0.00 66.02 65.63 2klc s SER 46 CO 0.20 -3.30 2.05 0.58 0.41 0.00 0.00 173.24 173.19 2klc h VAL 47 N -2.01 1.04 -0.04 3.43 2.07 -1.71 -1.22 116.25 117.80 2klc h VAL 47 Ca -0.51 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2klc h VAL 47 Cb 1.32 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2klc h VAL 47 CO 0.51 0.08 0.03 0.06 0.02 0.00 0.00 177.57 178.27 2klc h GLN 48 N 0.44 0.00 0.00 1.57 -0.00 -1.75 -1.73 115.11 113.64 2klc h GLN 48 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2klc h GLN 48 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 2klc h GLN 48 CO -0.04 0.00 -1.67 0.94 -0.00 0.00 0.00 178.83 178.06 2klc n GLN 49 N -4.46 0.64 0.03 0.06 -0.06 -0.60 -4.48 117.38 108.51 2klc n GLN 49 Ca -0.02 -0.09 -0.20 0.00 -2.00 0.00 0.00 57.00 54.69 2klc n GLN 49 Cb 0.13 -1.62 -0.14 0.00 -4.06 0.00 0.00 30.24 24.55 2klc n GLN 49 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 2klc h PHE 50 N 0.00 0.47 0.00 3.69 3.57 -0.41 -3.22 116.94 121.04 2klc h PHE 50 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2klc h PHE 50 Cb 1.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2klc h PHE 50 CO 0.00 1.32 0.00 1.57 -2.23 0.00 0.00 178.31 178.97 2klc h LYS 51 N -0.44 0.00 -0.21 1.11 -0.00 -1.64 -1.82 116.57 113.57 2klc h LYS 51 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.49 2klc h LYS 51 Cb 1.59 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.81 2klc h LYS 51 CO 0.12 0.00 0.13 0.93 -0.00 0.00 0.00 179.45 180.63 2klc h GLU 52 N 0.00 0.28 -0.20 0.07 4.39 -1.78 -1.76 114.58 115.59 2klc h GLU 52 Ca 0.00 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2klc h GLU 52 Cb 0.45 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2klc h GLU 52 CO 0.00 0.22 -0.34 0.93 -1.16 0.00 0.00 179.01 178.66 2klc h GLU 53 N 0.26 0.41 -0.78 2.33 4.39 -1.36 -2.97 114.58 116.86 2klc h GLU 53 Ca 0.08 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2klc h GLU 53 Cb 0.01 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2klc h GLU 53 CO -0.01 0.70 0.29 0.82 -1.16 0.00 0.00 179.01 179.65 2klc h ILE 54 N 0.35 1.26 -0.73 3.13 2.04 -1.24 -3.30 117.51 119.02 2klc h ILE 54 Ca 0.04 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.12 2klc h ILE 54 Cb 0.77 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2klc h ILE 54 CO 0.06 0.34 0.41 -1.28 0.00 0.00 0.00 178.15 177.69 2klc h SER 55 N 1.14 0.60 1.17 1.72 0.87 -1.15 -1.50 113.55 116.41 2klc h SER 55 Ca 0.26 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 2klc h SER 55 Cb 0.25 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2klc h SER 55 CO -0.02 0.37 -0.40 0.07 -0.53 0.00 0.00 176.83 176.32 2klc h LYS 56 N 0.73 0.00 0.17 2.24 2.10 -1.67 -1.19 116.57 118.95 2klc h LYS 56 Ca 0.34 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.74 2klc h LYS 56 Cb 0.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.60 2klc h LYS 56 CO -0.21 0.40 -1.15 0.00 -2.00 0.00 0.00 179.45 176.50 2klc h ARG 57 N 0.00 0.36 -0.02 0.07 2.47 -1.39 -3.35 114.38 112.51 2klc h ARG 57 Ca -0.00 -0.61 0.00 0.00 -1.26 0.00 0.00 59.98 58.10 2klc h ARG 57 Cb 1.10 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2klc h ARG 57 CO 0.05 1.29 -0.06 1.19 0.56 0.00 0.00 179.97 183.00 2klc n PHE 58 N -3.96 0.00 -3.85 3.04 3.01 -0.66 -4.97 117.46 110.08 2klc n PHE 58 Ca -0.17 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.00 2klc n PHE 58 Cb 0.92 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.43 2klc n PHE 58 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2klc n LYS 59 N 0.92 -6.10 -4.15 -1.08 5.02 -0.49 -4.66 118.16 107.61 2klc n LYS 59 Ca 0.14 0.65 -0.20 0.00 -2.02 0.00 0.00 58.31 56.88 2klc n LYS 59 Cb 0.53 -5.58 -0.16 0.00 -0.02 0.00 0.00 35.03 29.80 2klc n LYS 59 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2klc s SER 60 N -3.31 1.00 0.54 4.39 0.01 -0.94 -5.05 113.70 110.34 2klc s SER 60 Ca 0.65 -0.13 -0.22 0.00 1.31 0.00 0.00 55.95 57.56 2klc s SER 60 Cb -0.32 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 2klc s SER 60 CO 0.81 -0.06 1.36 -1.00 0.41 0.00 0.00 173.24 174.76 2klc s HIS 61 N 0.96 2.31 0.56 2.43 3.76 -1.26 -4.28 115.29 119.76 2klc s HIS 61 Ca -0.10 1.37 0.23 0.00 -0.15 0.00 0.00 55.06 56.41 2klc s HIS 61 Cb -0.14 -3.80 1.55 0.00 1.11 0.00 0.00 32.58 31.30 2klc s HIS 61 CO -0.00 -2.87 2.20 1.79 -0.85 0.00 0.00 174.74 175.00 2klc h THR 62 N 1.52 0.75 -0.56 1.30 1.35 -1.94 -1.57 112.91 113.75 2klc h THR 62 Ca -0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 2klc h THR 62 Cb 1.30 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 2klc h THR 62 CO 0.58 0.00 0.29 -0.78 -0.25 0.00 0.00 175.52 175.36 2klc h ASP 63 N 0.00 0.70 0.53 5.36 3.58 -1.96 -2.59 116.42 122.04 2klc h ASP 63 Ca 0.01 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2klc h ASP 63 Cb 0.04 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2klc h ASP 63 CO -0.00 0.58 -0.56 0.00 -2.88 0.00 0.00 179.24 176.38 2klc n GLN 64 N -4.38 0.05 -2.83 0.28 6.02 -0.60 -4.72 117.38 111.19 2klc n GLN 64 Ca 0.05 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.62 2klc n GLN 64 Cb 0.11 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 2klc n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2klc s LEU 65 N -3.20 4.66 -0.35 1.08 1.43 -0.98 -3.66 118.68 117.66 2klc s LEU 65 Ca 0.10 -2.26 -0.13 0.00 -1.03 0.00 0.00 54.13 50.81 2klc s LEU 65 Cb 0.17 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2klc s LEU 65 CO 0.71 -1.06 0.24 0.68 0.23 0.00 0.00 176.35 177.16 2klc s VAL 66 N 2.92 5.27 0.27 -1.59 -7.23 -1.05 -4.99 120.40 114.00 2klc s VAL 66 Ca 0.40 -0.26 -0.26 0.00 -1.81 0.00 0.00 61.98 60.06 2klc s VAL 66 Cb -0.02 -3.73 -0.09 0.00 0.56 0.00 0.00 36.38 33.10 2klc s VAL 66 CO -0.05 -0.03 0.89 -0.76 -0.31 0.00 0.00 175.10 174.83 2klc s LEU 67 N 1.72 4.45 -0.06 1.32 1.43 -1.26 -1.74 118.68 124.54 2klc s LEU 67 Ca 0.06 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 2klc s LEU 67 Cb -0.18 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2klc s LEU 67 CO 0.10 0.04 -0.17 -0.63 0.23 0.00 0.00 176.35 175.92 2klc s ILE 68 N -1.43 1.48 -0.16 -0.59 1.09 -0.22 -0.49 121.20 120.87 2klc s ILE 68 Ca 0.45 -0.72 -0.28 0.00 -1.10 0.00 0.00 60.65 59.00 2klc s ILE 68 Cb -0.21 -1.29 0.08 0.00 -1.06 0.00 0.00 42.46 39.99 2klc s ILE 68 CO 0.26 0.43 0.77 0.12 -0.10 0.00 0.00 174.94 176.42 2klc s PHE 69 N 0.23 -0.64 -1.31 3.97 2.19 -0.40 -2.30 117.98 119.73 2klc s PHE 69 Ca -0.09 1.31 0.00 0.00 0.33 0.00 0.00 56.93 58.49 2klc s PHE 69 Cb -0.14 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.94 2klc s PHE 69 CO 0.04 -0.46 0.00 0.00 1.83 0.00 0.00 175.22 176.63 2klc n ALA 70 N 1.58 -0.19 -0.87 11.12 0.00 -1.26 -2.39 120.51 128.51 2klc n ALA 70 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2klc n ALA 70 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2klc n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klc n GLY 71 N -1.25 0.83 3.24 0.00 0.00 -1.26 -5.04 105.19 101.71 2klc n GLY 71 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2klc n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2klc s LYS 72 N -0.13 1.02 -0.04 1.61 0.00 -1.00 -5.13 119.74 116.06 2klc s LYS 72 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 55.97 54.40 2klc s LYS 72 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 37.83 36.96 2klc s LYS 72 CO 0.00 0.15 1.05 0.96 0.00 0.00 0.00 175.35 177.52 2klc s ILE 73 N -2.32 4.63 -0.17 3.79 -0.00 -1.26 -1.27 121.20 124.60 2klc s ILE 73 Ca 0.10 1.90 -0.26 0.00 -0.00 0.00 0.00 60.65 62.39 2klc s ILE 73 Cb -0.04 -4.22 -0.01 0.00 -0.00 0.00 0.00 42.46 38.19 2klc s ILE 73 CO 0.03 0.07 0.85 -0.76 -0.00 0.00 0.00 174.94 175.12 2klc s LEU 74 N 1.62 4.17 0.00 0.37 1.43 0.36 -4.96 118.68 121.67 2klc s LEU 74 Ca 0.52 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2klc s LEU 74 Cb -0.22 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2klc s LEU 74 CO 0.23 -0.42 0.02 0.29 0.23 0.00 0.00 176.35 176.70 2klc n LYS 75 N 5.28 1.66 -0.32 1.70 4.76 -1.26 -4.07 118.16 125.91 2klc n LYS 75 Ca 0.05 -0.73 0.02 0.00 -2.87 0.00 0.00 58.31 54.78 2klc n LYS 75 Cb 0.49 0.17 0.16 0.00 -1.84 0.00 0.00 35.03 34.00 2klc n LYS 75 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2klc h ASP 76 N 0.22 0.86 1.04 4.39 2.03 -1.96 -1.48 116.42 121.52 2klc h ASP 76 Ca -0.08 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2klc h ASP 76 Cb 0.25 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2klc h ASP 76 CO 0.13 0.53 -0.06 0.06 -1.03 0.00 0.00 179.24 178.87 2klc h GLN 77 N 0.99 0.00 -6.94 4.15 3.07 -1.98 -3.35 115.11 111.05 2klc h GLN 77 Ca 0.40 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.67 2klc h GLN 77 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 2klc h GLN 77 CO -0.19 0.06 0.24 -0.51 0.09 0.00 0.00 178.83 178.52 2klc s ASP 78 N -5.86 6.83 -0.00 0.06 1.11 -0.56 -5.02 116.67 113.22 2klc s ASP 78 Ca 0.01 1.49 0.04 0.00 0.18 0.00 0.00 52.55 54.28 2klc s ASP 78 Cb 0.09 -2.46 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 2klc s ASP 78 CO 0.58 -0.33 -0.12 0.42 1.18 0.00 0.00 175.17 176.90 2klc s THR 79 N -2.16 3.22 0.24 -1.27 -4.23 -1.26 -2.38 115.64 107.80 2klc s THR 79 Ca 0.58 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 60.15 2klc s THR 79 Cb -0.10 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.59 2klc s THR 79 CO 0.17 0.44 1.84 0.17 -0.54 0.00 0.00 174.62 176.71 2klc h LEU 80 N 4.78 1.09 -1.34 4.79 8.10 -1.91 -3.08 115.31 127.73 2klc h LEU 80 Ca -0.48 -0.12 -0.04 0.00 0.11 0.00 0.00 57.88 57.36 2klc h LEU 80 Cb 1.16 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 2klc h LEU 80 CO 0.51 0.90 0.06 -1.28 -4.11 0.00 0.00 178.44 174.51 2klc h SER 81 N 1.20 0.46 -0.43 0.17 0.87 -1.89 -1.96 113.55 111.97 2klc h SER 81 Ca 0.30 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2klc h SER 81 Cb 0.08 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2klc h SER 81 CO -0.04 0.48 0.26 -0.61 -0.53 0.00 0.00 176.83 176.40 2klc h GLN 82 N 0.49 0.59 -0.58 2.24 5.75 -1.86 -2.02 115.11 119.71 2klc h GLN 82 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2klc h GLN 82 Cb 0.23 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2klc h GLN 82 CO 0.00 0.42 0.00 0.72 -2.65 0.00 0.00 178.83 177.32 2klc n HIS 83 N -4.44 0.63 -1.22 3.99 8.25 -0.76 -4.87 115.22 116.80 2klc n HIS 83 Ca 0.03 -0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 57.20 2klc n HIS 83 Cb 0.08 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 2klc n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2klc n GLY 84 N 0.59 0.70 3.65 -1.41 0.00 -0.76 -4.85 105.19 103.11 2klc n GLY 84 Ca 0.11 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2klc n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2klc s ILE 85 N -2.18 4.83 0.02 -0.61 1.01 -1.08 -4.99 121.20 118.20 2klc s ILE 85 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.30 2klc s ILE 85 Cb 0.00 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 2klc s ILE 85 CO 0.00 -0.06 0.01 1.41 0.00 0.00 0.00 174.94 176.30 2klc n HIS 86 N 5.83 -0.03 -1.51 3.97 8.25 -1.26 -4.06 115.22 126.42 2klc n HIS 86 Ca 0.06 -0.13 -0.51 0.00 -0.26 0.00 0.00 57.72 56.89 2klc n HIS 86 Cb 0.48 0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 2klc n HIS 86 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2klc n ASP 87 N -2.70 2.38 0.00 0.41 2.03 -1.26 -1.68 116.55 115.74 2klc n ASP 87 Ca 0.00 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2klc n ASP 87 Cb 0.03 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 2klc n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2klc n GLY 88 N 6.01 2.89 3.75 0.27 0.00 -0.93 -4.90 105.19 112.28 2klc n GLY 88 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2klc n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klc s LEU 89 N 0.00 4.56 -0.19 0.99 2.01 -0.68 -4.90 118.68 120.48 2klc s LEU 89 Ca 0.00 2.12 -0.02 0.00 0.01 0.00 0.00 54.13 56.23 2klc s LEU 89 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.57 2klc s LEU 89 CO 0.00 -0.08 -0.08 -0.89 1.01 0.00 0.00 176.35 176.32 2klc s THR 90 N -0.89 3.24 0.11 5.49 2.01 -1.26 -2.77 115.64 121.56 2klc s THR 90 Ca 0.45 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2klc s THR 90 Cb -0.29 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 2klc s THR 90 CO 0.37 0.47 0.40 -0.69 -0.69 0.00 0.00 174.62 174.48 2klc s VAL 91 N 1.03 5.10 0.07 3.82 1.01 0.05 -4.96 120.40 126.53 2klc s VAL 91 Ca -0.00 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 2klc s VAL 91 Cb -0.15 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2klc s VAL 91 CO -0.01 0.19 0.64 -1.00 0.00 0.00 0.00 175.10 174.93 2klc s HIS 92 N -1.50 3.79 -0.04 5.22 3.76 -0.97 -1.77 115.29 123.77 2klc s HIS 92 Ca 0.36 1.35 0.02 0.00 -0.15 0.00 0.00 55.06 56.65 2klc s HIS 92 Cb -0.13 -2.62 0.01 0.00 1.11 0.00 0.00 32.58 30.95 2klc s HIS 92 CO 0.20 0.47 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.30 2klc s LEU 93 N -0.75 1.63 -0.16 0.89 2.96 -1.07 -1.06 118.68 121.12 2klc s LEU 93 Ca 0.32 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2klc s LEU 93 Cb -0.20 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 45.87 2klc s LEU 93 CO 0.21 0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 2klc s VAL 94 N 0.52 2.36 0.05 1.68 1.01 -0.71 -4.60 120.40 120.72 2klc s VAL 94 Ca -0.09 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2klc s VAL 94 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2klc s VAL 94 CO 0.02 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 2klc s ILE 95 N 0.92 2.89 0.38 2.22 1.01 -1.26 -2.54 121.20 124.83 2klc s ILE 95 Ca -0.04 -1.21 0.20 0.00 0.00 0.00 0.00 60.65 59.61 2klc s ILE 95 Cb -0.15 -2.25 0.21 0.00 0.01 0.00 0.00 42.46 40.28 2klc s ILE 95 CO -0.03 0.29 1.96 0.50 0.00 0.00 0.00 174.94 177.66 2klc h LYS 96 N 4.36 0.00 -6.28 2.79 1.63 -1.97 -3.41 116.57 113.70 2klc h LYS 96 Ca -0.48 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 58.75 2klc h LYS 96 Cb 1.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2klc h LYS 96 CO 0.48 0.22 1.22 0.95 -3.45 0.00 0.00 179.45 178.87 2klc s THR 97 N -4.23 3.54 -0.04 1.00 -4.23 -1.26 -4.91 115.64 105.50 2klc s THR 97 Ca -0.03 0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 60.83 2klc s THR 97 Cb 0.14 -3.64 -0.26 0.00 1.34 0.00 0.00 72.50 70.08 2klc s THR 97 CO 0.65 -0.35 0.98 0.06 -0.54 0.00 0.00 174.62 175.42 2klc h GLN 98 N 11.99 0.26 -0.64 3.99 -0.00 -2.05 -3.39 115.11 125.27 2klc h GLN 98 Ca -0.34 -0.33 -0.43 0.00 -0.00 0.00 0.00 58.65 57.54 2klc h GLN 98 Cb 1.17 0.11 -0.42 0.00 -0.00 0.00 0.00 27.48 28.34 2klc h GLN 98 CO 1.01 1.08 -0.93 0.09 -0.00 0.00 0.00 178.83 180.08 2klc n ASN 99 N -4.32 3.64 -4.26 0.06 3.02 -1.26 -4.95 115.26 107.18 2klc n ASN 99 Ca -0.11 -3.09 -0.44 0.00 -0.03 0.00 0.00 54.58 50.91 2klc n ASN 99 Cb 0.65 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 2klc n ASN 99 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2klc s ARG 100 N -3.67 2.87 0.00 3.52 6.06 -1.26 -5.19 118.95 121.27 2klc s ARG 100 Ca 0.42 -1.89 0.28 0.00 -2.50 0.00 0.00 55.73 52.04 2klc s ARG 100 Cb 0.38 -4.15 1.14 0.00 0.06 0.00 0.00 34.95 32.38 2klc s ARG 100 CO 0.01 -1.27 1.80 -0.35 -2.50 0.00 0.00 175.30 172.99