#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 4.32 0.54 -0.52 2.20 -1.26 -5.09 119.74 119.94 2klc s LYS 24 Ca 0.00 1.02 -0.07 0.00 -0.36 0.00 0.00 55.97 56.56 2klc s LYS 24 Cb 0.00 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2klc s LYS 24 CO 0.00 0.28 0.88 -1.50 -0.36 0.00 0.00 175.35 174.65 2klc s ILE 25 N -1.68 4.74 -0.36 5.43 2.07 -1.26 -5.02 121.20 125.11 2klc s ILE 25 Ca 0.49 0.41 -0.27 0.00 -1.41 0.00 0.00 60.65 59.87 2klc s ILE 25 Cb -0.16 -3.83 0.02 0.00 0.13 0.00 0.00 42.46 38.62 2klc s ILE 25 CO 0.21 -0.92 0.98 -0.32 -1.91 0.00 0.00 174.94 172.98 2klc s MET 26 N -4.91 3.89 -0.91 3.50 -2.45 -0.56 -4.90 119.30 112.95 2klc s MET 26 Ca 0.50 0.70 -0.18 0.00 -1.25 0.00 0.00 55.69 55.46 2klc s MET 26 Cb -0.11 -3.79 0.14 0.00 1.25 0.00 0.00 34.83 32.32 2klc s MET 26 CO 0.48 -0.97 1.08 0.15 1.05 0.00 0.00 175.02 176.81 2klc s LYS 27 N 3.60 3.59 -0.34 4.11 -0.14 -1.26 -1.73 119.74 127.57 2klc s LYS 27 Ca 0.41 -1.82 -0.18 0.00 -1.36 0.00 0.00 55.97 53.01 2klc s LYS 27 Cb -0.12 -4.85 -0.01 0.00 -1.68 0.00 0.00 37.83 31.18 2klc s LYS 27 CO 0.19 -1.72 0.54 0.08 -0.76 0.00 0.00 175.35 173.68 2klc s VAL 28 N 2.42 5.00 0.14 3.17 1.01 0.35 -0.84 120.40 131.65 2klc s VAL 28 Ca 0.31 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 2klc s VAL 28 Cb -0.06 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 2klc s VAL 28 CO -0.09 -0.19 0.71 -0.89 0.00 0.00 0.00 175.10 174.64 2klc s THR 29 N 2.44 4.49 -0.08 3.92 2.01 -0.59 -1.07 115.64 126.75 2klc s THR 29 Ca 0.20 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.75 2klc s THR 29 Cb -0.15 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2klc s THR 29 CO 0.13 0.52 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 2klc s VAL 30 N -1.16 1.04 -0.18 3.82 1.01 -0.06 -1.32 120.40 123.54 2klc s VAL 30 Ca 0.34 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2klc s VAL 30 Cb -0.22 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2klc s VAL 30 CO 0.24 0.35 0.28 -0.75 0.00 0.00 0.00 175.10 175.22 2klc s LYS 31 N 1.12 4.22 0.33 2.72 2.36 -0.05 -1.63 119.74 128.81 2klc s LYS 31 Ca -0.06 0.05 0.04 0.00 -2.55 0.00 0.00 55.97 53.45 2klc s LYS 31 Cb -0.14 -3.46 -0.06 0.00 -1.05 0.00 0.00 37.83 33.12 2klc s LYS 31 CO -0.02 0.18 0.04 0.95 1.55 0.00 0.00 175.35 178.05 2klc s THR 32 N 0.67 1.31 -0.19 3.43 -4.23 -0.05 -0.52 115.64 116.08 2klc s THR 32 Ca 0.15 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 58.89 2klc s THR 32 Cb -0.13 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.17 2klc s THR 32 CO 0.04 -0.03 1.73 1.55 -0.54 0.00 0.00 174.62 177.37 2klc h PRO 33 N 2.10 0.00 0.00 3.99 0.13 -1.97 -3.26 132.00 132.99 2klc h PRO 33 Ca -0.41 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.29 2klc h PRO 33 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2klc h PRO 33 CO 0.71 0.00 -2.37 1.63 -0.23 0.00 0.00 178.00 177.74 2klc n LYS 34 N -2.33 0.60 -1.38 0.86 5.02 -1.26 -5.11 118.16 114.56 2klc n LYS 34 Ca -0.01 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2klc n LYS 34 Cb 0.08 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2klc n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2klc n GLU 35 N -4.13 0.00 -4.37 1.97 0.28 -1.23 -5.16 120.64 108.00 2klc n GLU 35 Ca -0.50 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.21 2klc n GLU 35 Cb 0.88 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.58 2klc n GLU 35 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2klc s LYS 36 N -1.75 2.14 0.34 3.44 2.20 -1.26 -0.87 119.74 123.99 2klc s LYS 36 Ca 0.00 -0.53 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2klc s LYS 36 Cb 0.00 -1.86 -0.07 0.00 -1.51 0.00 0.00 37.83 34.39 2klc s LYS 36 CO 0.00 -0.09 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.63 2klc s GLU 37 N 1.08 1.76 -0.07 4.03 0.41 -0.65 -4.96 118.70 120.30 2klc s GLU 37 Ca -0.05 -1.93 0.05 0.00 -0.41 0.00 0.00 54.97 52.63 2klc s GLU 37 Cb -0.15 -1.51 -0.01 0.00 -1.78 0.00 0.00 34.13 30.69 2klc s GLU 37 CO -0.03 0.07 -0.21 -2.00 -0.49 0.00 0.00 175.26 172.60 2klc s GLU 38 N -3.67 2.69 0.08 1.61 2.12 -1.26 -0.88 118.70 119.39 2klc s GLU 38 Ca 0.32 -0.83 0.07 0.00 0.36 0.00 0.00 54.97 54.90 2klc s GLU 38 Cb 0.04 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 2klc s GLU 38 CO 0.15 0.40 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.02 2klc s PHE 39 N -0.18 1.66 -0.31 5.30 0.08 -0.23 -4.97 117.98 119.33 2klc s PHE 39 Ca -0.02 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 2klc s PHE 39 Cb -0.14 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2klc s PHE 39 CO 0.04 0.15 0.01 0.00 -0.10 0.00 0.00 175.22 175.31 2klc s ALA 40 N -1.10 2.82 0.04 5.36 0.00 -1.26 -0.50 121.76 127.12 2klc s ALA 40 Ca 0.05 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.23 2klc s ALA 40 Cb -0.10 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2klc s ALA 40 CO 0.03 -1.31 -0.13 0.14 0.00 0.00 0.00 175.76 174.49 2klc s VAL 41 N 1.23 1.05 -0.37 0.00 -7.23 -0.71 -4.95 120.40 109.42 2klc s VAL 41 Ca -0.04 -0.99 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 2klc s VAL 41 Cb -0.20 -0.96 -0.22 0.00 0.56 0.00 0.00 36.38 35.56 2klc s VAL 41 CO -0.02 -0.03 3.40 -0.81 -0.31 0.00 0.00 175.10 177.33 2klc n PRO 42 N 1.88 2.34 -0.58 4.82 -0.04 -1.26 -1.50 135.00 140.65 2klc n PRO 42 Ca -0.18 -1.25 -0.02 0.00 -0.04 0.00 0.00 63.50 62.01 2klc n PRO 42 Cb 0.55 -2.17 -0.01 0.00 -0.04 0.00 0.00 33.50 31.83 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 2.77 -1.76 0.00 0.54 0.28 -1.26 -4.48 120.64 116.72 2klc n GLU 43 Ca 0.50 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.74 2klc n GLU 43 Cb 0.74 -3.69 0.00 0.00 1.43 0.00 0.00 31.44 29.92 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 1.23 0.06 -4.60 -1.84 2.85 -1.26 -4.70 115.26 107.00 2klc n ASN 44 Ca -0.02 -0.47 -0.43 0.00 -0.11 0.00 0.00 54.58 53.55 2klc n ASN 44 Cb 0.19 0.07 -0.03 0.00 1.24 0.00 0.00 39.78 41.25 2klc n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2klc s SER 45 N -0.07 5.68 0.99 1.20 0.01 -1.26 -4.99 113.70 115.25 2klc s SER 45 Ca 0.00 1.52 -0.11 0.00 1.31 0.00 0.00 55.95 58.67 2klc s SER 45 Cb 0.00 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.90 2klc s SER 45 CO 0.00 -1.84 1.10 -0.44 0.41 0.00 0.00 173.24 172.47 2klc s SER 46 N 7.11 2.39 0.55 2.44 0.01 -1.26 -4.29 113.70 120.65 2klc s SER 46 Ca 0.88 1.93 0.26 0.00 1.31 0.00 0.00 55.95 60.34 2klc s SER 46 Cb -0.26 -2.47 1.44 0.00 0.21 0.00 0.00 66.02 64.94 2klc s SER 46 CO 0.34 -3.39 2.01 0.58 0.41 0.00 0.00 173.24 173.18 2klc h VAL 47 N -2.07 0.66 -0.17 3.43 2.07 -1.39 0.28 116.25 119.06 2klc h VAL 47 Ca -0.49 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2klc h VAL 47 Cb 1.29 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2klc h VAL 47 CO 0.45 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 177.37 2klc h GLN 48 N 0.00 -0.03 0.00 1.57 4.15 -1.74 -1.35 115.11 117.71 2klc h GLN 48 Ca 0.21 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.54 2klc h GLN 48 Cb 0.91 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2klc h GLN 48 CO -0.00 -0.02 -0.48 0.37 -1.93 0.00 0.00 178.83 176.77 2klc h GLN 49 N -0.03 0.00 0.11 1.69 5.75 -1.16 -3.39 115.11 118.09 2klc h GLN 49 Ca 0.09 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.26 2klc h GLN 49 Cb 0.16 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2klc h GLN 49 CO -0.19 0.46 -1.77 0.35 -2.65 0.00 0.00 178.83 175.02 2klc h PHE 50 N 0.00 0.44 0.00 3.99 3.57 -0.49 -3.33 116.94 121.13 2klc h PHE 50 Ca -0.01 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2klc h PHE 50 Cb 1.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2klc h PHE 50 CO 0.00 1.70 0.00 1.57 -2.23 0.00 0.00 178.31 179.35 2klc h LYS 51 N -0.13 0.00 -0.33 1.11 -0.00 -1.43 -1.28 116.57 114.51 2klc h LYS 51 Ca -0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.17 2klc h LYS 51 Cb 1.90 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 34.12 2klc h LYS 51 CO 0.05 0.00 -0.18 0.93 -0.00 0.00 0.00 179.45 180.26 2klc h GLU 52 N 0.00 0.70 -0.29 0.07 5.08 -1.75 0.48 114.58 118.87 2klc h GLU 52 Ca 0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2klc h GLU 52 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2klc h GLU 52 CO 0.00 0.92 0.08 0.93 -1.00 0.00 0.00 179.01 179.94 2klc h GLU 53 N 0.47 0.40 0.03 2.33 4.39 -1.36 -2.18 114.58 118.66 2klc h GLU 53 Ca 0.07 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 2klc h GLU 53 Cb 0.72 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2klc h GLU 53 CO 0.05 0.37 -1.01 0.82 -1.16 0.00 0.00 179.01 178.09 2klc h ILE 54 N 0.40 1.58 -0.38 3.13 2.04 -1.29 -3.27 117.51 119.73 2klc h ILE 54 Ca 0.10 -3.02 -0.05 0.00 1.00 0.00 0.00 64.86 62.89 2klc h ILE 54 Cb 0.14 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2klc h ILE 54 CO -0.01 0.87 0.02 0.28 0.00 0.00 0.00 178.15 179.32 2klc h SER 55 N 0.05 0.63 0.98 1.72 0.02 -0.30 -1.98 113.55 114.68 2klc h SER 55 Ca -0.05 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2klc h SER 55 Cb 1.71 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2klc h SER 55 CO 0.15 0.77 0.00 0.07 -1.14 0.00 0.00 176.83 176.67 2klc h LYS 56 N 0.48 0.00 0.01 3.45 2.10 -1.58 0.20 116.57 121.23 2klc h LYS 56 Ca 0.11 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2klc h LYS 56 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2klc h LYS 56 CO 0.01 0.00 -0.00 -0.09 -2.00 0.00 0.00 179.45 177.37 2klc h ARG 57 N 0.00 -0.01 -0.11 0.07 9.65 -1.49 -3.33 114.38 119.16 2klc h ARG 57 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2klc h ARG 57 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2klc h ARG 57 CO 0.00 0.79 0.00 1.19 2.80 0.00 0.00 179.97 184.75 2klc n PHE 58 N -4.69 0.12 -1.33 2.20 3.72 -0.79 -4.94 117.46 111.75 2klc n PHE 58 Ca -0.09 -0.06 -0.11 0.00 -0.05 0.00 0.00 57.45 57.14 2klc n PHE 58 Cb 0.39 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 2klc n PHE 58 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2klc n LYS 59 N 0.66 -1.25 -2.59 -1.08 4.76 0.53 -3.98 118.16 115.21 2klc n LYS 59 Ca 0.17 0.87 -0.23 0.00 -2.87 0.00 0.00 58.31 56.25 2klc n LYS 59 Cb 0.44 -5.05 0.04 0.00 -1.84 0.00 0.00 35.03 28.62 2klc n LYS 59 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2klc s SER 60 N -2.59 5.35 0.02 4.39 0.01 -0.20 -4.96 113.70 115.72 2klc s SER 60 Ca 0.00 0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.46 2klc s SER 60 Cb 0.00 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2klc s SER 60 CO 0.00 -1.13 0.26 -1.00 0.41 0.00 0.00 173.24 171.79 2klc s HIS 61 N -2.85 3.56 0.47 2.43 3.76 -1.26 -4.44 115.29 116.96 2klc s HIS 61 Ca 0.55 0.51 0.14 0.00 -0.15 0.00 0.00 55.06 56.11 2klc s HIS 61 Cb -0.10 -1.95 1.10 0.00 1.11 0.00 0.00 32.58 32.74 2klc s HIS 61 CO 0.40 0.60 2.07 1.79 -0.85 0.00 0.00 174.74 178.76 2klc h THR 62 N 2.84 0.99 0.00 1.30 1.35 -1.94 -1.09 112.91 116.35 2klc h THR 62 Ca -0.49 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 2klc h THR 62 Cb 1.19 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2klc h THR 62 CO 0.68 0.05 -0.03 -0.78 -0.25 0.00 0.00 175.52 175.18 2klc h ASP 63 N 0.26 0.00 1.07 5.36 3.58 -1.98 -2.17 116.42 122.54 2klc h ASP 63 Ca 0.13 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2klc h ASP 63 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2klc h ASP 63 CO -0.03 0.03 -0.70 1.56 -2.88 0.00 0.00 179.24 177.23 2klc h GLN 64 N 0.00 0.00 -5.69 0.28 4.20 -1.56 -3.45 115.11 108.89 2klc h GLN 64 Ca -0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.10 2klc h GLN 64 Cb 0.07 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.74 2klc h GLN 64 CO 0.00 0.70 0.33 -0.51 -0.67 0.00 0.00 178.83 178.69 2klc s LEU 65 N -6.82 4.09 -0.17 1.46 1.02 -0.82 -1.83 118.68 115.60 2klc s LEU 65 Ca 0.01 0.73 0.01 0.00 0.02 0.00 0.00 54.13 54.90 2klc s LEU 65 Cb 0.10 -3.02 0.02 0.00 0.02 0.00 0.00 46.19 43.30 2klc s LEU 65 CO 0.77 -0.52 -0.20 0.68 0.02 0.00 0.00 176.35 177.10 2klc s VAL 66 N 2.79 2.12 0.27 -1.59 -7.23 -0.89 -4.99 120.40 110.88 2klc s VAL 66 Ca 0.31 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 59.30 2klc s VAL 66 Cb -0.15 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 2klc s VAL 66 CO 0.10 0.54 0.87 -0.76 -0.31 0.00 0.00 175.10 175.55 2klc s LEU 67 N 1.16 4.40 -0.07 1.32 1.43 -1.26 -1.65 118.68 124.01 2klc s LEU 67 Ca 0.02 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 2klc s LEU 67 Cb -0.14 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2klc s LEU 67 CO -0.10 0.01 -0.19 -0.63 0.23 0.00 0.00 176.35 175.68 2klc s ILE 68 N -1.50 1.64 -0.06 -0.59 1.09 -0.14 -0.35 121.20 121.30 2klc s ILE 68 Ca 0.46 -0.79 -0.21 0.00 -1.10 0.00 0.00 60.65 59.01 2klc s ILE 68 Cb -0.19 -1.43 0.04 0.00 -1.06 0.00 0.00 42.46 39.82 2klc s ILE 68 CO 0.24 0.47 0.48 0.12 -0.10 0.00 0.00 174.94 176.15 2klc s PHE 69 N 0.36 -0.42 -1.24 3.97 5.36 -0.45 -1.59 117.98 123.96 2klc s PHE 69 Ca -0.14 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2klc s PHE 69 Cb -0.16 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 2klc s PHE 69 CO 0.06 -0.45 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 2klc n ALA 70 N 1.40 -0.18 -2.38 11.12 0.00 -1.26 -2.09 120.51 127.12 2klc n ALA 70 Ca -0.19 0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2klc n ALA 70 Cb 0.56 -1.54 0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.74 0.14 3.26 0.00 0.00 -1.26 -5.06 105.19 101.53 2klc n GLY 71 Ca -0.12 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.73 0.83 -0.16 1.61 0.00 -0.89 -5.15 119.74 111.25 2klc s LYS 72 Ca 0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 55.97 55.26 2klc s LYS 72 Cb -0.03 0.36 -0.00 0.00 0.00 0.00 0.00 37.83 38.16 2klc s LYS 72 CO 0.08 -0.27 1.02 0.96 0.00 0.00 0.00 175.35 177.14 2klc s ILE 73 N -2.56 4.74 -0.18 3.79 -0.00 -1.26 -1.35 121.20 124.38 2klc s ILE 73 Ca -0.05 2.03 -0.29 0.00 -0.00 0.00 0.00 60.65 62.34 2klc s ILE 73 Cb -0.01 -4.31 -0.01 0.00 -0.00 0.00 0.00 42.46 38.13 2klc s ILE 73 CO -0.03 -0.08 1.23 -0.76 -0.00 0.00 0.00 174.94 175.29 2klc s LEU 74 N 2.57 4.17 0.00 0.37 1.43 0.53 -4.97 118.68 122.78 2klc s LEU 74 Ca 0.46 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2klc s LEU 74 Cb -0.17 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2klc s LEU 74 CO 0.12 -0.75 0.55 0.29 0.23 0.00 0.00 176.35 176.80 2klc n LYS 75 N 6.57 0.26 0.24 1.70 4.76 -1.26 -4.13 118.16 126.29 2klc n LYS 75 Ca 0.14 -1.55 0.12 0.00 -2.87 0.00 0.00 58.31 54.14 2klc n LYS 75 Cb 0.45 -0.35 0.55 0.00 -1.84 0.00 0.00 35.03 33.84 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 -0.30 0.00 0.98 4.39 2.03 -1.97 -2.21 116.42 119.35 2klc h ASP 76 Ca -0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 2klc h ASP 76 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2klc h ASP 76 CO 0.20 0.17 0.00 0.00 -1.03 0.00 0.00 179.24 178.58 2klc n GLN 77 N -3.39 0.12 -3.58 4.15 10.64 -1.26 -4.08 117.38 119.97 2klc n GLN 77 Ca -0.00 0.20 -0.32 0.00 -1.83 0.00 0.00 57.00 55.05 2klc n GLN 77 Cb 0.37 -1.67 -0.05 0.00 -0.86 0.00 0.00 30.24 28.03 2klc n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2klc s ASP 78 N -3.70 6.55 0.02 2.61 1.11 -0.83 -5.03 116.67 117.39 2klc s ASP 78 Ca 0.10 0.71 0.06 0.00 0.18 0.00 0.00 52.55 53.60 2klc s ASP 78 Cb 0.13 -2.14 -0.02 0.00 1.07 0.00 0.00 42.92 41.96 2klc s ASP 78 CO 0.47 0.02 -0.18 -0.89 1.18 0.00 0.00 175.17 175.77 2klc s THR 79 N -1.69 1.43 0.14 -1.27 2.01 -1.26 -1.21 115.64 113.79 2klc s THR 79 Ca 0.42 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 2klc s THR 79 Cb -0.12 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.16 2klc s THR 79 CO 0.23 0.22 1.70 0.17 -0.69 0.00 0.00 174.62 176.25 2klc h LEU 80 N 5.17 -0.17 -0.63 4.42 8.10 -1.87 -2.63 115.31 127.70 2klc h LEU 80 Ca -0.39 0.07 -0.04 0.00 0.11 0.00 0.00 57.88 57.62 2klc h LEU 80 Cb 1.16 0.13 -0.03 0.00 -0.44 0.00 0.00 40.66 41.49 2klc h LEU 80 CO 0.45 -0.05 0.24 0.77 -4.11 0.00 0.00 178.44 175.74 2klc h SER 81 N 0.05 0.89 0.59 0.17 4.64 -1.81 -0.58 113.55 117.49 2klc h SER 81 Ca 0.13 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2klc h SER 81 Cb 0.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2klc h SER 81 CO -0.24 0.83 -0.22 1.56 -0.87 0.00 0.00 176.83 177.89 2klc h GLN 82 N 0.90 0.00 -0.66 4.77 1.08 -1.83 -2.55 115.11 116.81 2klc h GLN 82 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2klc h GLN 82 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2klc h GLN 82 CO -0.01 0.22 0.00 0.72 -0.95 0.00 0.00 178.83 178.80 2klc n HIS 83 N -3.61 1.36 -0.86 2.96 8.25 -0.86 -4.93 115.22 117.54 2klc n HIS 83 Ca -0.01 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 2klc n HIS 83 Cb 0.35 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 1.17 0.51 3.49 -1.41 0.00 -0.96 -4.96 105.19 103.02 2klc n GLY 84 Ca 0.24 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 5.14 -0.19 -0.61 1.01 -0.28 -5.01 121.20 119.26 2klc s ILE 85 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2klc s ILE 85 Cb 0.00 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.60 2klc s ILE 85 CO 0.00 -0.33 0.37 -1.38 0.00 0.00 0.00 174.94 173.60 2klc s HIS 86 N 2.02 -0.70 -0.07 3.97 -3.43 -1.26 -2.95 115.29 112.86 2klc s HIS 86 Ca 0.11 1.22 -0.02 0.00 -0.80 0.00 0.00 55.06 55.56 2klc s HIS 86 Cb -0.17 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.14 2klc s HIS 86 CO 0.12 -0.51 0.05 -3.47 -2.00 0.00 0.00 174.74 168.94 2klc n ASP 87 N 5.37 -6.04 0.00 7.38 2.03 -1.26 -3.76 116.55 120.28 2klc n ASP 87 Ca -0.07 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.18 2klc n ASP 87 Cb 0.50 -2.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 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 1.82 2.93 3.87 0.27 0.00 -0.02 -4.89 105.19 109.16 2klc n GLY 88 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 3.07 -0.06 0.99 1.43 -1.25 -4.76 118.68 118.11 2klc s LEU 89 Ca 0.00 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 2klc s LEU 89 Cb 0.00 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.96 2klc s LEU 89 CO 0.00 -1.14 -0.22 -0.89 0.23 0.00 0.00 176.35 174.33 2klc s THR 90 N -3.23 1.86 0.31 5.49 2.01 -1.25 -1.54 115.64 119.28 2klc s THR 90 Ca 0.57 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2klc s THR 90 Cb -0.11 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2klc s THR 90 CO 0.53 0.52 0.48 -0.69 -0.69 0.00 0.00 174.62 174.77 2klc s VAL 91 N -0.05 4.90 0.19 3.82 1.01 -0.43 -4.95 120.40 124.87 2klc s VAL 91 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2klc s VAL 91 Cb -0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2klc s VAL 91 CO 0.04 -0.39 0.38 -1.00 0.00 0.00 0.00 175.10 174.13 2klc s HIS 92 N -2.19 3.48 -0.01 5.22 3.76 -0.62 -0.87 115.29 124.06 2klc s HIS 92 Ca 0.39 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.63 2klc s HIS 92 Cb -0.09 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.74 2klc s HIS 92 CO 0.33 0.40 0.04 -1.17 -0.85 0.00 0.00 174.74 173.49 2klc s LEU 93 N -3.22 1.88 -0.19 0.89 2.96 0.33 -0.97 118.68 120.36 2klc s LEU 93 Ca 0.38 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2klc s LEU 93 Cb -0.11 0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.87 2klc s LEU 93 CO 0.28 -0.15 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.48 2klc s VAL 94 N -0.58 0.81 -0.14 1.68 1.01 -0.66 -3.95 120.40 118.58 2klc s VAL 94 Ca -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2klc s VAL 94 Cb -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2klc s VAL 94 CO -0.00 -0.09 0.06 -0.63 0.00 0.00 0.00 175.10 174.44 2klc s ILE 95 N 1.74 4.78 -0.97 2.22 1.01 -1.26 -2.09 121.20 126.63 2klc s ILE 95 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2klc s ILE 95 Cb -0.17 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 39.10 2klc s ILE 95 CO -0.07 0.55 3.10 0.29 0.00 0.00 0.00 174.94 178.80 2klc n LYS 96 N 2.71 3.16 -3.54 2.79 5.02 -0.76 -4.84 118.16 122.70 2klc n LYS 96 Ca -0.18 -1.97 -0.15 0.00 -2.02 0.00 0.00 58.31 53.99 2klc n LYS 96 Cb 0.53 -2.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 2klc n LYS 96 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2klc s THR 97 N 1.04 0.02 0.00 -0.18 -1.32 -1.26 -4.95 115.64 108.98 2klc s THR 97 Ca 0.66 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 2klc s THR 97 Cb 0.24 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2klc s THR 97 CO -0.06 -0.08 0.00 0.00 -2.21 0.00 0.00 174.62 172.27 2klc n GLN 98 N 0.43 3.26 0.06 7.08 10.64 -1.26 -4.84 117.38 132.75 2klc n GLN 98 Ca -0.18 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 54.96 2klc n GLN 98 Cb 0.60 -0.55 0.21 0.00 -0.86 0.00 0.00 30.24 29.64 2klc n GLN 98 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2klc h ASN 99 N 0.00 0.36 -4.31 2.61 4.21 -2.00 -3.44 115.58 113.00 2klc h ASN 99 Ca 0.00 -0.14 -0.51 0.00 1.21 0.00 0.00 56.30 56.86 2klc h ASN 99 Cb 0.00 -0.10 0.12 0.00 -1.12 0.00 0.00 38.32 37.22 2klc h ASN 99 CO 0.00 0.69 0.33 -0.13 -1.29 0.00 0.00 177.43 177.03 2klc s ARG 100 N -4.28 2.47 0.00 0.81 3.00 -1.26 -5.18 118.95 114.50 2klc s ARG 100 Ca -0.06 1.12 0.00 0.00 0.00 0.00 0.00 55.73 56.80 2klc s ARG 100 Cb 0.13 -1.92 0.00 0.00 0.00 0.00 0.00 34.95 33.16 2klc s ARG 100 CO 0.78 -1.48 0.42 -2.30 0.00 0.00 0.00 175.30 172.72