#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krc n ILE 3 N 0.00 0.99 0.95 -0.61 -5.35 -1.14 -4.11 119.36 110.09 2krc n ILE 3 Ca 0.00 -0.21 0.12 0.00 -0.27 0.00 0.00 62.75 62.39 2krc n ILE 3 Cb 0.00 -0.80 0.55 0.00 -1.74 0.00 0.00 39.64 37.65 2krc n ILE 3 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2krc n LYS 4 N 0.24 0.12 0.00 6.28 4.81 -1.26 -1.96 118.16 126.39 2krc n LYS 4 Ca 0.06 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2krc n LYS 4 Cb 0.56 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2krc n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2krc n GLN 5 N -1.43 1.20 -3.47 1.64 10.64 -1.26 -5.03 117.38 119.67 2krc n GLN 5 Ca 0.08 -0.98 -0.37 0.00 -1.83 0.00 0.00 57.00 53.90 2krc n GLN 5 Cb 0.25 -0.92 -0.08 0.00 -0.86 0.00 0.00 30.24 28.64 2krc n GLN 5 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2krc s TYR 6 N -0.51 3.39 0.65 2.61 2.02 -0.83 -5.07 117.35 119.61 2krc s TYR 6 Ca 0.00 0.55 -0.09 0.00 -0.37 0.00 0.00 57.07 57.16 2krc s TYR 6 Cb 0.00 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 2krc s TYR 6 CO 0.00 0.07 1.00 0.45 -1.57 0.00 0.00 175.55 175.50 2krc s SER 7 N 0.90 5.50 0.30 2.29 0.15 -1.26 -4.89 113.70 116.69 2krc s SER 7 Ca 0.17 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.74 2krc s SER 7 Cb -0.14 -1.81 0.54 0.00 -1.71 0.00 0.00 66.02 62.90 2krc s SER 7 CO 0.06 -1.21 1.91 -0.61 1.20 0.00 0.00 173.24 174.59 2krc h GLN 8 N -0.42 0.98 -0.36 5.44 5.75 -1.97 -1.60 115.11 122.92 2krc h GLN 8 Ca -0.45 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 57.90 2krc h GLN 8 Cb 1.26 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 2krc h GLN 8 CO 0.62 0.65 -0.15 1.05 -2.65 0.00 0.00 178.83 178.35 2krc h GLU 9 N 1.01 0.65 -0.42 1.69 9.09 -2.00 -2.26 114.58 122.35 2krc h GLU 9 Ca 0.39 -0.22 -0.09 0.00 0.05 0.00 0.00 59.36 59.48 2krc h GLU 9 Cb 0.21 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 2krc h GLU 9 CO -0.15 0.78 -0.12 0.93 0.05 0.00 0.00 179.01 180.50 2krc h GLU 10 N 0.59 0.77 -0.02 1.06 4.39 -1.69 -2.95 114.58 116.73 2krc h GLU 10 Ca 0.10 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2krc h GLU 10 Cb 0.60 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2krc h GLU 10 CO 0.04 0.86 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.64 2krc h LEU 11 N 0.69 0.07 -0.86 1.33 3.38 -0.96 -3.33 115.31 115.62 2krc h LEU 11 Ca 0.12 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2krc h LEU 11 Cb 0.60 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2krc h LEU 11 CO 0.04 0.63 -0.54 0.07 0.09 0.00 0.00 178.44 178.73 2krc h LYS 12 N -0.49 0.00 -0.93 1.13 2.10 -1.41 -2.71 116.57 114.27 2krc h LYS 12 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2krc h LYS 12 Cb 0.61 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.89 2krc h LYS 12 CO 0.01 0.54 0.11 0.39 -2.00 0.00 0.00 179.45 178.49 2krc n GLU 13 N -3.78 1.90 -4.43 0.07 4.71 -1.12 -4.81 120.64 113.18 2krc n GLU 13 Ca -0.01 -1.06 -0.25 0.00 -0.01 0.00 0.00 57.16 55.83 2krc n GLU 13 Cb 0.57 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 29.31 2krc n GLU 13 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2krc s MET 14 N -1.37 1.96 0.50 3.49 -1.94 -1.02 -5.07 119.30 115.85 2krc s MET 14 Ca 0.19 -1.84 -0.22 0.00 -1.71 0.00 0.00 55.69 52.11 2krc s MET 14 Cb 0.15 -1.83 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 2krc s MET 14 CO 0.05 0.13 1.24 0.00 -0.01 0.00 0.00 175.02 176.43 2krc s ALA 15 N -2.56 2.88 0.47 3.03 0.00 -1.26 -4.90 121.76 119.41 2krc s ALA 15 Ca 0.34 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.52 2krc s ALA 15 Cb 0.01 -3.45 1.10 0.00 0.00 0.00 0.00 23.12 20.78 2krc s ALA 15 CO 0.18 -0.96 2.07 -0.07 0.00 0.00 0.00 175.76 176.98 2krc h LEU 16 N 1.73 0.23 -1.06 0.00 3.38 -1.94 -0.43 115.31 117.23 2krc h LEU 16 Ca -0.50 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2krc h LEU 16 Cb 1.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2krc h LEU 16 CO 0.59 0.16 -0.20 1.62 0.09 0.00 0.00 178.44 180.69 2krc h VAL 17 N 0.27 1.25 -0.71 1.22 3.04 -1.91 -1.08 116.25 118.32 2krc h VAL 17 Ca 0.13 -1.13 -0.06 0.00 -1.01 0.00 0.00 66.70 64.63 2krc h VAL 17 Cb 0.20 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.73 2krc h VAL 17 CO -0.03 0.36 0.20 -0.33 -1.01 0.00 0.00 177.57 176.76 2krc h GLU 18 N 0.39 1.12 -0.34 4.17 4.39 -1.44 0.77 114.58 123.65 2krc h GLU 18 Ca 0.07 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 2krc h GLU 18 Cb 0.58 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2krc h GLU 18 CO 0.04 0.97 0.11 0.82 -1.16 0.00 0.00 179.01 179.79 2krc h ILE 19 N 1.07 1.20 -0.93 3.13 2.04 -1.28 -1.77 117.51 120.98 2krc h ILE 19 Ca 0.23 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.46 2krc h ILE 19 Cb 0.33 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2krc h ILE 19 CO -0.00 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.98 2krc h ALA 20 N 0.95 1.21 0.26 1.87 0.00 -0.21 0.69 119.26 124.03 2krc h ALA 20 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2krc h ALA 20 Cb 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2krc h ALA 20 CO -0.00 0.50 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 2krc h HIS 21 N 1.19 -0.32 -0.26 0.00 -0.00 -0.60 -1.01 115.15 114.15 2krc h HIS 21 Ca 0.36 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.57 2krc h HIS 21 Cb -0.03 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2krc h HIS 21 CO -0.01 -0.18 -0.48 1.49 -0.00 0.00 0.00 177.93 178.75 2krc h GLU 22 N -0.38 0.70 -0.45 5.26 4.57 -0.77 -1.51 114.58 121.99 2krc h GLU 22 Ca -0.04 -0.41 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 2krc h GLU 22 Cb 0.29 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2krc h GLU 22 CO 0.06 1.02 0.07 1.25 -1.18 0.00 0.00 179.01 180.23 2krc h LEU 23 N 0.55 0.65 -0.80 1.64 5.85 0.41 -1.90 115.31 121.71 2krc h LEU 23 Ca 0.03 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 2krc h LEU 23 Cb 1.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2krc h LEU 23 CO 0.10 0.68 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.13 2krc h PHE 24 N 0.67 0.32 0.00 1.25 0.04 -0.51 0.24 116.94 118.96 2krc h PHE 24 Ca 0.15 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2krc h PHE 24 Cb 0.32 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2krc h PHE 24 CO 0.02 0.71 -0.14 0.93 -0.60 0.00 0.00 178.31 179.22 2krc h GLU 25 N 0.21 0.00 0.03 1.51 5.08 -0.55 0.93 114.58 121.79 2krc h GLU 25 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2krc h GLU 25 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2krc h GLU 25 CO 0.08 0.14 -0.47 1.49 -1.00 0.00 0.00 179.01 179.25 2krc h GLU 26 N 0.00 0.06 -0.28 2.33 4.22 -0.99 -3.37 114.58 116.55 2krc h GLU 26 Ca -0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 2krc h GLU 26 Cb 0.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2krc h GLU 26 CO 0.02 1.05 0.04 0.45 -2.18 0.00 0.00 179.01 178.39 2krc h HIS 27 N -0.87 0.49 -1.49 0.92 3.86 -0.43 -3.46 115.15 114.17 2krc h HIS 27 Ca -0.11 -0.07 -0.41 0.00 -1.16 0.00 0.00 60.37 58.62 2krc h HIS 27 Cb 1.20 -0.14 -0.12 0.00 1.06 0.00 0.00 27.41 29.42 2krc h HIS 27 CO 0.22 0.57 -0.41 1.63 0.86 0.00 0.00 177.93 180.80 2krc n LYS 28 N -4.65 -1.45 -4.14 2.45 5.02 0.31 -4.96 118.16 110.74 2krc n LYS 28 Ca -0.03 1.14 -0.09 0.00 -2.02 0.00 0.00 58.31 57.30 2krc n LYS 28 Cb 0.21 -5.56 -0.10 0.00 -0.02 0.00 0.00 35.03 29.56 2krc n LYS 28 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2krc s LYS 29 N -4.06 0.74 0.10 1.97 0.00 -1.26 -5.09 119.74 112.15 2krc s LYS 29 Ca 0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 55.97 54.44 2krc s LYS 29 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 37.83 37.70 2krc s LYS 29 CO 0.00 -0.05 0.82 -2.14 0.00 0.00 0.00 175.35 173.98 2krc s PRO 30 N -3.75 4.58 -0.01 1.78 0.02 -1.26 -4.66 135.00 131.70 2krc s PRO 30 Ca 0.09 1.20 0.05 0.00 0.02 0.00 0.00 61.00 62.36 2krc s PRO 30 Cb 0.05 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 2krc s PRO 30 CO -0.06 0.36 -0.17 0.08 -0.33 0.00 0.00 177.00 176.88 2krc s VAL 31 N -0.41 1.36 0.79 3.83 1.01 0.28 -4.86 120.40 122.40 2krc s VAL 31 Ca 0.40 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 2krc s VAL 31 Cb -0.22 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.10 2krc s VAL 31 CO 0.26 0.39 1.20 -2.84 0.00 0.00 0.00 175.10 174.10 2krc s PRO 32 N -0.38 1.74 0.12 2.72 0.02 -1.26 -0.18 135.00 137.79 2krc s PRO 32 Ca 0.06 1.73 -0.24 0.00 0.02 0.00 0.00 61.00 62.58 2krc s PRO 32 Cb -0.07 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2krc s PRO 32 CO -0.01 -2.13 1.66 0.35 -0.33 0.00 0.00 177.00 176.55 2krc h PHE 33 N -0.80 -0.46 0.00 6.54 3.57 -1.62 0.31 116.94 124.47 2krc h PHE 33 Ca -0.46 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 2krc h PHE 33 Cb 1.29 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 2krc h PHE 33 CO 0.47 -0.25 -0.39 -0.56 -2.23 0.00 0.00 178.31 175.35 2krc h GLN 34 N -0.27 0.00 0.10 1.11 -0.00 -1.93 0.54 115.11 114.67 2krc h GLN 34 Ca 0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.53 2krc h GLN 34 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.86 2krc h GLN 34 CO -0.19 0.39 -0.80 0.93 -0.00 0.00 0.00 178.83 179.16 2krc h GLU 35 N 0.00 0.36 -0.60 0.06 4.39 -1.71 -1.37 114.58 115.70 2krc h GLU 35 Ca -0.00 -0.53 0.06 0.00 0.34 0.00 0.00 59.36 59.23 2krc h GLU 35 Cb 0.76 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 2krc h GLU 35 CO 0.05 1.22 0.31 1.25 -1.16 0.00 0.00 179.01 180.68 2krc h LEU 36 N -0.23 0.44 -0.81 1.33 5.85 -0.29 -1.28 115.31 120.33 2krc h LEU 36 Ca -0.13 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2krc h LEU 36 Cb 1.58 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 2krc h LEU 36 CO 0.15 0.29 0.51 0.25 -0.34 0.00 0.00 178.44 179.31 2krc h LEU 37 N 0.58 0.84 -1.20 2.25 5.85 -0.87 -0.63 115.31 122.14 2krc h LEU 37 Ca 0.27 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.00 2krc h LEU 37 Cb 0.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2krc h LEU 37 CO -0.19 0.56 0.54 -1.13 -0.34 0.00 0.00 178.44 177.89 2krc h ASN 38 N 0.98 0.94 -0.04 1.25 -1.24 -0.36 0.25 115.58 117.37 2krc h ASN 38 Ca 0.33 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 57.13 2krc h ASN 38 Cb 0.06 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2krc h ASN 38 CO -0.13 0.68 -0.68 -0.33 -1.29 0.00 0.00 177.43 175.68 2krc h GLU 39 N 1.10 0.67 -0.46 6.67 5.08 -0.21 -2.03 114.58 125.40 2krc h GLU 39 Ca 0.30 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2krc h GLU 39 Cb -0.13 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2krc h GLU 39 CO -0.06 1.12 0.14 0.82 -1.00 0.00 0.00 179.01 180.02 2krc h ILE 40 N 0.48 1.23 -0.40 3.13 2.04 -0.56 -1.82 117.51 121.60 2krc h ILE 40 Ca -0.02 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.14 2krc h ILE 40 Cb 1.27 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 2krc h ILE 40 CO 0.13 0.27 0.07 0.00 0.00 0.00 0.00 178.15 178.63 2krc h ALA 41 N 0.99 0.43 -0.16 1.87 0.00 -0.42 0.18 119.26 122.16 2krc h ALA 41 Ca 0.15 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2krc h ALA 41 Cb 0.28 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2krc h ALA 41 CO -0.00 -0.33 -0.49 0.66 0.00 0.00 0.00 179.25 179.09 2krc h SER 42 N 0.20 0.44 0.06 0.00 4.64 -1.31 0.29 113.55 117.87 2krc h SER 42 Ca 0.20 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2krc h SER 42 Cb 0.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2krc h SER 42 CO -0.26 0.86 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.46 2krc h LEU 43 N 0.33 -0.06 -1.83 5.97 3.38 -0.77 -3.20 115.31 119.12 2krc h LEU 43 Ca 0.02 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2krc h LEU 43 Cb 0.98 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2krc h LEU 43 CO 0.08 0.38 0.12 0.25 0.09 0.00 0.00 178.44 179.36 2krc h LEU 44 N -0.52 0.19 0.00 1.67 5.85 -0.49 -3.46 115.31 118.55 2krc h LEU 44 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2krc h LEU 44 Cb 0.46 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2krc h LEU 44 CO 0.01 0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 2krc n GLY 45 N -1.52 1.58 3.48 3.75 0.00 0.47 -4.95 105.19 108.00 2krc n GLY 45 Ca -0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2krc n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2krc s VAL 46 N -2.00 1.08 -0.14 1.61 -7.23 0.71 -5.01 120.40 109.42 2krc s VAL 46 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2krc s VAL 46 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2krc s VAL 46 CO 0.00 0.00 0.06 -0.75 -0.31 0.00 0.00 175.10 174.10 2krc s LYS 47 N -3.85 3.58 0.39 4.82 2.20 -1.26 -3.90 119.74 121.73 2krc s LYS 47 Ca 0.32 -0.32 0.16 0.00 -0.36 0.00 0.00 55.97 55.77 2krc s LYS 47 Cb 0.07 -3.08 1.04 0.00 -1.51 0.00 0.00 37.83 34.35 2krc s LYS 47 CO 0.15 0.50 1.81 0.87 -0.36 0.00 0.00 175.35 178.31 2krc h LYS 48 N 5.92 0.44 0.00 4.03 1.57 -1.92 0.43 116.57 127.04 2krc h LYS 48 Ca -0.44 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 2krc h LYS 48 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2krc h LYS 48 CO 0.63 0.29 -0.17 0.93 -0.57 0.00 0.00 179.45 180.56 2krc h GLU 49 N 0.46 0.00 -0.01 3.15 4.39 -2.02 -1.85 114.58 118.70 2krc h GLU 49 Ca 0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 2krc h GLU 49 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2krc h GLU 49 CO -0.26 0.17 -0.18 -0.85 -1.16 0.00 0.00 179.01 176.73 2krc n GLU 50 N -3.58 1.06 -0.36 2.33 0.28 0.13 -4.63 120.64 115.86 2krc n GLU 50 Ca -0.01 -0.62 0.03 0.00 -0.16 0.00 0.00 57.16 56.40 2krc n GLU 50 Cb 0.31 -1.49 0.10 0.00 1.43 0.00 0.00 31.44 31.80 2krc n GLU 50 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2krc n LEU 51 N -0.43 -0.47 0.00 -1.84 -0.00 -0.70 -4.87 117.00 108.69 2krc n LEU 51 Ca 0.14 1.70 0.00 0.00 -0.00 0.00 0.00 56.01 57.85 2krc n LEU 51 Cb 0.35 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2krc n LEU 51 CO 0.23 -1.59 0.00 0.61 -0.00 0.00 0.00 177.39 176.64 2krc n GLY 52 N -1.56 0.25 0.55 1.47 0.00 -1.26 -3.89 105.19 100.76 2krc n GLY 52 Ca 0.14 -0.92 0.36 0.00 0.00 0.00 0.00 46.02 45.59 2krc n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2krc h ASP 53 N 0.00 0.00 0.97 1.61 5.19 -2.02 -2.46 116.42 119.70 2krc h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2krc h ASP 53 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2krc h ASP 53 CO 0.00 0.00 0.00 0.08 -3.12 0.00 0.00 179.24 176.20 2krc h ARG 54 N 0.00 0.00 0.17 3.56 0.11 -1.97 -3.02 114.38 113.23 2krc h ARG 54 Ca 0.58 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.37 2krc h ARG 54 Cb 2.57 0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.67 2krc h ARG 54 CO -0.01 0.00 -1.32 0.82 0.10 0.00 0.00 179.97 179.57 2krc h ILE 55 N 0.00 1.41 -0.51 0.08 5.03 -1.65 0.45 117.51 122.32 2krc h ILE 55 Ca 0.00 -2.88 -0.07 0.00 -0.12 0.00 0.00 64.86 61.79 2krc h ILE 55 Cb 0.48 2.95 -0.02 0.00 -3.03 0.00 0.00 36.82 37.20 2krc h ILE 55 CO 0.00 0.85 0.02 0.00 -0.68 0.00 0.00 178.15 178.34 2krc h ALA 56 N 0.42 1.07 -0.20 1.87 0.00 -1.73 0.39 119.26 121.08 2krc h ALA 56 Ca -0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2krc h ALA 56 Cb 2.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2krc h ALA 56 CO 0.23 0.59 -0.02 1.96 0.00 0.00 0.00 179.25 182.01 2krc h GLN 57 N 0.79 0.38 -0.52 0.00 1.08 -1.54 -1.90 115.11 113.39 2krc h GLN 57 Ca 0.15 -0.13 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 2krc h GLN 57 Cb 0.45 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 2krc h GLN 57 CO 0.02 0.60 0.17 0.35 -0.95 0.00 0.00 178.83 179.02 2krc h PHE 58 N 0.12 0.30 0.00 2.96 3.04 -0.25 0.46 116.94 123.56 2krc h PHE 58 Ca 0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 2krc h PHE 58 Cb 0.44 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 2krc h PHE 58 CO 0.04 0.08 -0.07 -0.92 -2.02 0.00 0.00 178.31 175.43 2krc h TYR 59 N 0.34 0.00 0.05 0.41 3.20 -0.10 0.36 116.97 121.23 2krc h TYR 59 Ca 0.25 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2krc h TYR 59 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2krc h TYR 59 CO -0.18 0.07 -0.02 1.15 -1.64 0.00 0.00 178.16 177.54 2krc h THR 60 N 0.00 0.87 -0.35 1.81 2.02 -0.27 -3.27 112.91 113.72 2krc h THR 60 Ca -0.00 -1.52 0.07 0.00 0.77 0.00 0.00 66.41 65.73 2krc h THR 60 Cb 0.14 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 2krc h THR 60 CO 0.01 0.28 -0.11 0.44 0.37 0.00 0.00 175.52 176.51 2krc h ASP 61 N -0.97 -0.39 -0.14 4.18 3.32 0.83 -0.69 116.42 122.56 2krc h ASP 61 Ca -0.01 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2krc h ASP 61 Cb 0.51 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2krc h ASP 61 CO 0.01 -0.14 0.05 0.25 -1.72 0.00 0.00 179.24 177.69 2krc h LEU 62 N -0.03 0.19 -0.77 1.55 5.85 -0.52 -3.05 115.31 118.54 2krc h LEU 62 Ca 0.17 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2krc h LEU 62 Cb 0.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2krc h LEU 62 CO -0.38 0.31 0.00 0.78 -0.34 0.00 0.00 178.44 178.81 2krc h ASN 63 N 0.07 0.91 -2.83 1.25 -0.26 -1.52 -3.32 115.58 109.88 2krc h ASN 63 Ca 0.05 -0.24 -0.81 0.00 -0.56 0.00 0.00 56.30 54.74 2krc h ASN 63 Cb 0.17 -0.24 -0.28 0.00 -1.06 0.00 0.00 38.32 36.91 2krc h ASN 63 CO -0.00 0.97 0.80 2.30 -1.06 0.00 0.00 177.43 180.43 2krc n ILE 64 N -4.19 5.40 0.00 2.81 -5.35 -0.30 -4.64 119.36 113.10 2krc n ILE 64 Ca 0.03 -5.95 0.00 0.00 -0.27 0.00 0.00 62.75 56.56 2krc n ILE 64 Cb 0.32 -2.01 0.00 0.00 -1.74 0.00 0.00 39.64 36.21 2krc n ILE 64 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2krc n ASP 65 N 1.15 0.00 0.00 7.28 2.03 -1.24 -4.85 116.55 120.92 2krc n ASP 65 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2krc n ASP 65 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2krc n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krc n GLY 66 N 2.85 0.51 0.80 0.27 0.00 -1.26 -4.96 105.19 103.39 2krc n GLY 66 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2krc n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krc n ARG 67 N 0.00 2.70 -3.98 1.61 5.12 -1.26 -4.90 116.66 115.95 2krc n ARG 67 Ca 0.00 -2.82 -0.25 0.00 -1.93 0.00 0.00 57.85 52.85 2krc n ARG 67 Cb 0.00 -1.81 -0.17 0.00 -1.16 0.00 0.00 32.46 29.32 2krc n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2krc s PHE 68 N -2.85 1.16 -0.07 -1.55 0.40 -1.26 0.31 117.98 114.12 2krc s PHE 68 Ca 0.41 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2krc s PHE 68 Cb 0.34 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 2krc s PHE 68 CO 0.08 -0.40 -0.18 -0.48 0.70 0.00 0.00 175.22 174.95 2krc s LEU 69 N 1.56 2.49 -0.12 -0.37 2.34 0.43 -4.88 118.68 120.13 2krc s LEU 69 Ca 0.01 -0.34 -0.24 0.00 0.06 0.00 0.00 54.13 53.61 2krc s LEU 69 Cb -0.13 -1.50 -0.03 0.00 -0.56 0.00 0.00 46.19 43.97 2krc s LEU 69 CO -0.05 0.26 0.76 0.00 -1.06 0.00 0.00 176.35 176.26 2krc s ALA 70 N -0.24 3.43 0.00 1.48 0.00 -1.26 -0.29 121.76 124.87 2krc s ALA 70 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2krc s ALA 70 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2krc s ALA 70 CO 0.03 -0.40 0.07 1.28 0.00 0.00 0.00 175.76 176.74 2krc n LEU 71 N 4.55 1.88 -0.08 0.00 4.77 -1.08 -4.83 117.00 122.22 2krc n LEU 71 Ca 0.01 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2krc n LEU 71 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2krc n LEU 71 CO 0.47 0.00 -0.49 -0.24 -1.33 0.00 0.00 177.39 175.81 2krc n SER 72 N -0.38 1.76 0.16 -1.43 2.88 -1.26 -5.03 113.62 110.32 2krc n SER 72 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2krc n SER 72 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2krc n SER 72 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2krc n ASP 73 N -4.40 -2.29 0.12 -3.46 2.03 -1.26 -4.99 116.55 102.29 2krc n ASP 73 Ca -0.10 0.60 -0.22 0.00 0.52 0.00 0.00 54.79 55.58 2krc n ASP 73 Cb 0.37 2.26 -0.15 0.00 -0.72 0.00 0.00 41.12 42.88 2krc n ASP 73 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2krc h GLN 74 N 0.00 0.45 -7.13 -0.67 3.07 -1.96 -3.46 115.11 105.40 2krc h GLN 74 Ca 0.00 -0.76 -0.47 0.00 0.09 0.00 0.00 58.65 57.51 2krc h GLN 74 Cb 0.00 0.28 0.03 0.00 0.08 0.00 0.00 27.48 27.87 2krc h GLN 74 CO 0.00 1.35 0.38 0.95 0.09 0.00 0.00 178.83 181.60 2krc s THR 75 N -2.60 4.01 0.12 1.86 -4.23 -1.26 -1.51 115.64 112.03 2krc s THR 75 Ca -0.10 1.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.61 2krc s THR 75 Cb 0.05 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 2krc s THR 75 CO 0.91 -0.40 -0.22 0.26 -0.54 0.00 0.00 174.62 174.63 2krc s TRP 76 N -2.25 1.92 0.03 3.99 0.52 0.75 -2.63 118.94 121.27 2krc s TRP 76 Ca 0.64 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.36 2krc s TRP 76 Cb -0.14 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.13 2krc s TRP 76 CO 0.26 0.26 -0.05 0.20 0.02 0.00 0.00 176.95 177.64 2krc s GLY 77 N -2.08 0.36 0.04 0.98 0.00 0.60 -0.56 107.32 106.66 2krc s GLY 77 Ca 0.10 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2krc s GLY 77 CO 0.05 -0.74 1.10 -2.27 0.00 0.00 0.00 173.10 171.24 2krc s LEU 78 N -1.53 4.38 0.00 0.66 1.98 -1.26 -0.43 118.68 122.48 2krc s LEU 78 Ca -0.13 1.86 0.00 0.00 -2.89 0.00 0.00 54.13 52.97 2krc s LEU 78 Cb -0.10 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.18 2krc s LEU 78 CO -0.00 -0.36 0.47 0.54 -1.89 0.00 0.00 176.35 175.11 2krc n ARG 79 N 3.83 0.76 0.01 1.98 1.74 0.15 -3.50 116.66 121.62 2krc n ARG 79 Ca 0.07 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 2krc n ARG 79 Cb 0.48 -1.28 0.37 0.00 -1.02 0.00 0.00 32.46 31.01 2krc n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2krc n SER 80 N -0.03 0.36 -1.26 0.55 3.41 -1.26 -3.14 113.62 112.24 2krc n SER 80 Ca 0.00 0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 2krc n SER 80 Cb 0.14 -0.02 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 2krc n SER 80 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2krc n TRP 81 N -1.56 1.12 -4.11 7.33 8.01 -1.23 -4.69 117.44 122.32 2krc n TRP 81 Ca 0.06 -0.45 -0.13 0.00 -1.31 0.00 0.00 57.50 55.67 2krc n TRP 81 Cb 0.35 -0.19 -0.11 0.00 -2.01 0.00 0.00 31.31 29.35 2krc n TRP 81 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 2krc s TYR 82 N -1.74 0.81 0.23 -5.99 5.04 -1.19 -5.12 117.35 109.40 2krc s TYR 82 Ca 0.39 -0.58 -0.31 0.00 -2.44 0.00 0.00 57.07 54.12 2krc s TYR 82 Cb 0.25 -0.47 -0.12 0.00 0.35 0.00 0.00 41.96 41.96 2krc s TYR 82 CO 0.19 -0.07 1.67 -0.35 -1.34 0.00 0.00 175.55 175.65 2krc n PRO 83 N 1.08 2.71 -1.51 4.97 -0.04 -1.26 -4.95 135.00 136.00 2krc n PRO 83 Ca -0.20 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2krc n PRO 83 Cb 0.56 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2krc n PRO 83 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2krc n TYR 84 N 3.29 -0.40 0.10 0.54 4.01 -1.26 -5.01 117.16 118.43 2krc n TYR 84 Ca 0.13 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.83 2krc n TYR 84 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 2krc n TYR 84 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2krc h ASP 85 N 0.00 -0.22 -2.14 7.72 3.04 -1.93 -3.44 116.42 119.44 2krc h ASP 85 Ca 0.00 0.01 -0.48 0.00 -3.24 0.00 0.00 57.03 53.32 2krc h ASP 85 Cb 0.00 0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.32 2krc h ASP 85 CO 0.00 -0.15 -0.47 0.00 -2.04 0.00 0.00 179.24 176.58 2krc s GLN 86 N -3.49 3.14 -0.45 4.15 0.00 -1.26 -5.08 119.66 116.68 2krc s GLN 86 Ca -0.04 -0.95 0.05 0.00 -0.00 0.00 0.00 55.36 54.42 2krc s GLN 86 Cb 0.00 -2.71 0.18 0.00 0.00 0.00 0.00 33.01 30.48 2krc s GLN 86 CO 0.12 0.37 0.39 1.28 0.00 0.00 0.00 175.29 177.44 2krc n LEU 87 N -1.32 0.08 -0.62 2.60 4.77 -1.26 -4.64 117.00 116.60 2krc n LEU 87 Ca -0.07 -4.53 -0.08 0.00 -0.03 0.00 0.00 56.01 51.29 2krc n LEU 87 Cb 0.58 0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 2krc n LEU 87 CO 0.44 1.88 -0.08 0.47 -1.33 0.00 0.00 177.39 178.77 2krc n ASP 88 N 2.51 -4.97 -4.52 -1.43 9.92 -1.26 -4.93 116.55 111.87 2krc n ASP 88 Ca 0.28 0.20 -0.33 0.00 -0.53 0.00 0.00 54.79 54.40 2krc n ASP 88 Cb 0.47 -3.19 -0.12 0.00 -0.64 0.00 0.00 41.12 37.64 2krc n ASP 88 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2krc s GLU 89 N -2.43 2.82 0.00 -1.24 2.12 -1.26 -4.60 118.70 114.11 2krc s GLU 89 Ca 0.00 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2krc s GLU 89 Cb 0.00 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.84 2krc s GLU 89 CO 0.00 0.56 0.23 0.39 -0.54 0.00 0.00 175.26 175.90 2krc n GLU 90 N 2.51 0.41 0.00 4.30 -0.58 -1.26 -3.81 120.64 122.21 2krc n GLU 90 Ca -0.18 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.71 2krc n GLU 90 Cb 0.53 -1.22 0.65 0.00 -0.57 0.00 0.00 31.44 30.83 2krc n GLU 90 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2krc n THR 91 N 0.35 0.00 0.09 2.62 5.66 -1.26 -4.53 114.28 117.21 2krc n THR 91 Ca 0.00 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2krc n THR 91 Cb 0.11 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 2krc n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2krc n GLN 92 N -1.00 0.00 -1.52 1.09 -0.00 -1.25 -5.05 117.38 109.65 2krc n GLN 92 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.15 2krc n GLN 92 Cb 0.26 -0.27 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2krc n GLN 92 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2krc n LEU 93 N -3.45 -2.06 -2.47 2.61 4.77 -1.26 -4.59 117.00 110.56 2krc n LEU 93 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2krc n LEU 93 Cb 0.02 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 2krc n LEU 93 CO 0.00 -0.02 -0.57 1.21 -1.33 0.00 0.00 177.39 176.68 2krc n GLU 94 N -0.80 -4.95 -1.48 3.23 0.00 -1.26 -4.68 120.64 110.70 2krc n GLU 94 Ca 0.00 3.64 -0.42 0.00 0.00 0.00 0.00 57.16 60.38 2krc n GLU 94 Cb 0.30 -4.85 -0.12 0.00 0.00 0.00 0.00 31.44 26.77 2krc n GLU 94 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2krc n HIS 95 N 1.81 0.88 0.06 4.31 1.44 -1.26 -4.78 115.22 117.69 2krc n HIS 95 Ca -0.18 0.35 -0.02 0.00 -2.01 0.00 0.00 57.72 55.86 2krc n HIS 95 Cb 0.28 -2.44 0.23 0.00 0.12 0.00 0.00 29.99 28.18 2krc n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2krc h HIS 96 N 13.43 0.41 -2.08 -1.40 3.86 -1.83 -3.29 115.15 124.25 2krc h HIS 96 Ca -0.11 -0.09 -0.64 0.00 -1.16 0.00 0.00 60.37 58.37 2krc h HIS 96 Cb 1.31 -0.10 -0.14 0.00 1.06 0.00 0.00 27.41 29.54 2krc h HIS 96 CO 1.04 0.62 0.98 -1.58 0.86 0.00 0.00 177.93 179.86 2krc s HIS 97 N -4.40 2.77 0.00 2.45 5.65 -1.26 -4.86 115.29 115.64 2krc s HIS 97 Ca -0.06 -0.92 0.00 0.00 0.25 0.00 0.00 55.06 54.33 2krc s HIS 97 Cb 0.14 -4.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.10 2krc s HIS 97 CO 0.78 -1.71 0.00 0.72 -0.65 0.00 0.00 174.74 173.88 2krc n HIS 98 N 7.74 0.00 -0.08 3.88 -0.00 -1.24 -4.79 115.22 120.73 2krc n HIS 98 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.81 2krc n HIS 98 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.37 2krc n HIS 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2krc n HIS 99 N -0.24 0.00 -1.53 4.41 -0.00 -1.26 -5.09 115.22 111.51 2krc n HIS 99 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2krc n HIS 99 Cb 0.00 -0.73 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 2krc n HIS 99 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38