#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcc s GLU 2 N 0.00 1.36 -0.29 0.03 2.12 -1.26 -5.06 118.70 115.59 2kcc s GLU 2 Ca 0.00 -2.26 -0.16 0.00 0.36 0.00 0.00 54.97 52.91 2kcc s GLU 2 Cb 0.00 -2.20 0.17 0.00 0.26 0.00 0.00 34.13 32.36 2kcc s GLU 2 CO 0.00 -1.26 1.10 1.21 -0.54 0.00 0.00 175.26 175.77 2kcc s ASN 3 N -0.05 -0.33 0.16 -1.70 3.84 -1.26 -5.19 114.94 110.41 2kcc s ASN 3 Ca 0.24 0.51 -0.22 0.00 0.21 0.00 0.00 52.86 53.60 2kcc s ASN 3 Cb -0.12 1.17 0.06 0.00 -0.55 0.00 0.00 41.25 41.82 2kcc s ASN 3 CO -0.09 -0.08 0.57 -1.81 -2.79 0.00 0.00 177.10 172.89 2kcc s ASP 4 N 1.36 -0.49 0.47 -4.21 1.01 -1.26 -5.04 116.67 108.51 2kcc s ASP 4 Ca -0.08 -0.09 0.28 0.00 0.71 0.00 0.00 52.55 53.37 2kcc s ASP 4 Cb -0.03 0.58 0.81 0.00 1.01 0.00 0.00 42.92 45.29 2kcc s ASP 4 CO -0.13 -0.96 1.78 1.55 0.21 0.00 0.00 175.17 177.61 2kcc h PRO 5 N 2.07 0.00 -1.74 8.23 0.13 -2.03 -3.28 132.00 135.38 2kcc h PRO 5 Ca -0.33 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.36 2kcc h PRO 5 Cb 1.30 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.26 2kcc h PRO 5 CO 0.39 0.00 0.43 0.25 -0.23 0.00 0.00 178.00 178.85 2kcc n THR 6 N -3.04 3.11 -3.99 1.56 -2.24 -1.26 -4.85 114.28 103.56 2kcc n THR 6 Ca 0.03 -2.43 -0.08 0.00 -2.27 0.00 0.00 64.05 59.29 2kcc n THR 6 Cb 0.42 -1.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 2kcc n THR 6 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2kcc n VAL 7 N 0.54 0.00 -3.77 2.28 0.24 -1.24 -1.90 118.33 114.49 2kcc n VAL 7 Ca 0.42 -1.01 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 2kcc n VAL 7 Cb 0.57 0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 33.37 2kcc n VAL 7 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2kcc s LEU 8 N 0.00 0.85 -0.13 1.34 0.20 -0.43 -4.20 118.68 116.32 2kcc s LEU 8 Ca 0.17 0.58 -0.12 0.00 0.69 0.00 0.00 54.13 55.45 2kcc s LEU 8 Cb 0.00 0.98 0.03 0.00 -0.43 0.00 0.00 46.19 46.77 2kcc s LEU 8 CO 0.12 -0.11 0.34 -0.13 -0.29 0.00 0.00 176.35 176.28 2kcc s ARG 9 N 0.25 0.40 0.45 1.98 0.52 -1.26 -2.29 118.95 118.99 2kcc s ARG 9 Ca -0.01 0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 55.43 2kcc s ARG 9 Cb -0.03 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.56 2kcc s ARG 9 CO -0.00 -0.05 1.21 -1.12 0.02 0.00 0.00 175.30 175.36 2kcc s SER 10 N 0.16 6.16 0.38 0.23 0.01 -1.00 -4.85 113.70 114.79 2kcc s SER 10 Ca -0.00 2.42 0.20 0.00 1.31 0.00 0.00 55.95 59.88 2kcc s SER 10 Cb -0.02 -2.61 0.61 0.00 0.21 0.00 0.00 66.02 64.20 2kcc s SER 10 CO 0.01 -0.93 1.69 1.55 0.41 0.00 0.00 173.24 175.97 2kcc h PRO 11 N 2.20 0.00 -3.62 12.44 0.13 -1.93 -3.01 132.00 138.21 2kcc h PRO 11 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 2kcc h PRO 11 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2kcc h PRO 11 CO 0.61 0.34 0.00 -1.12 -0.23 0.00 0.00 178.00 177.61 2kcc s SER 12 N -6.35 0.45 -0.22 1.44 0.01 -1.26 -4.70 113.70 103.07 2kcc s SER 12 Ca 0.01 -1.28 -0.29 0.00 1.31 0.00 0.00 55.95 55.70 2kcc s SER 12 Cb 0.10 0.73 -0.01 0.00 0.21 0.00 0.00 66.02 67.05 2kcc s SER 12 CO 0.68 -1.43 1.25 0.00 0.41 0.00 0.00 173.24 174.15 2kcc s ALA 13 N -2.89 3.56 0.00 1.44 0.00 -1.26 -3.79 121.76 118.82 2kcc s ALA 13 Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2kcc s ALA 13 Cb -0.02 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2kcc s ALA 13 CO 0.15 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2kcc n GLY 14 N 3.82 5.40 3.64 0.00 0.00 0.30 -4.82 105.19 113.53 2kcc n GLY 14 Ca 0.14 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 2kcc n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcc s LYS 15 N 4.63 0.68 -0.64 1.61 2.36 -1.24 -1.64 119.74 125.49 2kcc s LYS 15 Ca 0.00 1.00 -0.26 0.00 -2.55 0.00 0.00 55.97 54.16 2kcc s LYS 15 Cb 0.00 0.23 -0.03 0.00 -1.05 0.00 0.00 37.83 36.97 2kcc s LYS 15 CO 0.00 -0.11 1.97 -1.17 1.55 0.00 0.00 175.35 177.58 2kcc s LEU 16 N 1.05 3.28 -0.04 5.43 2.96 -0.73 -1.46 118.68 129.16 2kcc s LEU 16 Ca -0.05 0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 53.92 2kcc s LEU 16 Cb -0.05 -2.53 -0.23 0.00 0.50 0.00 0.00 46.19 43.88 2kcc s LEU 16 CO -0.11 -2.55 1.05 0.00 -1.32 0.00 0.00 176.35 173.42 2kcc h THR 17 N 7.08 1.51 -0.88 3.68 1.03 -1.88 -3.09 112.91 120.36 2kcc h THR 17 Ca -0.20 -1.97 0.00 0.00 -0.01 0.00 0.00 66.41 64.23 2kcc h THR 17 Cb 1.15 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.94 2kcc h THR 17 CO 1.20 0.55 0.00 1.67 -0.01 0.00 0.00 175.52 178.93 2kcc n GLN 18 N -4.43 0.00 -3.74 0.00 7.27 -1.25 -4.88 117.38 110.34 2kcc n GLN 18 Ca -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.84 2kcc n GLN 18 Cb 0.54 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.09 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kcc s TYR 19 N -3.54 -0.41 -1.96 3.69 -0.85 -1.26 -3.08 117.35 109.93 2kcc s TYR 19 Ca 0.00 1.01 0.24 0.00 -0.52 0.00 0.00 57.07 57.80 2kcc s TYR 19 Cb 0.00 0.14 0.29 0.00 0.38 0.00 0.00 41.96 42.77 2kcc s TYR 19 CO 0.00 -0.20 1.28 0.25 -1.52 0.00 0.00 175.55 175.36 2kcc n THR 20 N 2.93 0.00 -3.75 -3.49 -2.24 -1.07 -4.93 114.28 101.73 2kcc n THR 20 Ca -0.13 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2kcc n THR 20 Cb 0.57 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 2kcc n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kcc s VAL 21 N -2.47 0.02 0.81 2.28 -7.23 -1.19 -4.97 120.40 107.64 2kcc s VAL 21 Ca 0.21 -0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 60.11 2kcc s VAL 21 Cb 0.19 -0.53 0.20 0.00 0.56 0.00 0.00 36.38 36.80 2kcc s VAL 21 CO 0.55 -0.07 0.68 -1.84 -0.31 0.00 0.00 175.10 174.10 2kcc n GLU 22 N 2.41 -2.57 -1.77 4.82 0.28 -1.26 -4.83 120.64 117.72 2kcc n GLU 22 Ca -0.15 -1.09 -0.40 0.00 -0.16 0.00 0.00 57.16 55.35 2kcc n GLU 22 Cb 0.57 -1.07 0.01 0.00 1.43 0.00 0.00 31.44 32.39 2kcc n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kcc n ASP 23 N -4.28 3.48 -2.19 -1.84 -0.08 -1.26 -1.98 116.55 108.41 2kcc n ASP 23 Ca 0.10 1.15 -0.20 0.00 -1.51 0.00 0.00 54.79 54.32 2kcc n ASP 23 Cb 0.38 -1.61 -0.03 0.00 2.34 0.00 0.00 41.12 42.20 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kcc n GLY 24 N 0.54 0.14 3.61 0.27 0.00 0.22 -4.88 105.19 105.08 2kcc n GLY 24 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2kcc n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcc s GLY 25 N -2.22 0.80 0.01 -0.02 0.00 -0.20 -4.42 107.32 101.26 2kcc s GLY 25 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 2kcc s GLY 25 CO 0.00 3.43 1.80 -1.58 0.00 0.00 0.00 173.10 176.76 2kcc s HIS 26 N 6.99 1.72 -0.08 1.90 2.46 -1.26 -1.47 115.29 125.56 2kcc s HIS 26 Ca 0.87 -0.10 -0.10 0.00 0.47 0.00 0.00 55.06 56.20 2kcc s HIS 26 Cb -0.28 -4.08 0.02 0.00 -0.13 0.00 0.00 32.58 28.11 2kcc s HIS 26 CO 0.34 -4.68 0.26 0.14 -2.47 0.00 0.00 174.74 168.33 2kcc s VAL 27 N 4.00 0.01 0.52 0.89 -7.23 -0.81 -4.94 120.40 112.84 2kcc s VAL 27 Ca 0.81 -0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.79 2kcc s VAL 27 Cb -0.39 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2kcc s VAL 27 CO 0.36 -0.06 0.86 -1.83 -0.31 0.00 0.00 175.10 174.11 2kcc s GLU 28 N -0.17 3.57 0.11 4.82 -1.05 -1.26 -2.19 118.70 122.53 2kcc s GLU 28 Ca -0.03 0.38 -0.35 0.00 -0.15 0.00 0.00 54.97 54.82 2kcc s GLU 28 Cb -0.03 -2.28 -0.17 0.00 -0.44 0.00 0.00 34.13 31.22 2kcc s GLU 28 CO 0.01 -0.32 1.26 0.00 0.95 0.00 0.00 175.26 177.16 2kcc n ALA 29 N -2.39 -1.05 0.00 -0.84 0.00 -1.19 -0.71 120.51 114.33 2kcc n ALA 29 Ca 0.02 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2kcc n ALA 29 Cb 0.55 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2kcc n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kcc n GLY 30 N 2.30 3.14 3.69 0.00 0.00 -0.12 -4.92 105.19 109.29 2kcc n GLY 30 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2kcc n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcc s SER 31 N -0.10 6.91 0.29 1.61 0.15 0.11 -4.74 113.70 117.93 2kcc s SER 31 Ca 0.00 2.06 -0.29 0.00 0.70 0.00 0.00 55.95 58.42 2kcc s SER 31 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 2kcc s SER 31 CO 0.00 -0.67 1.34 -0.44 1.20 0.00 0.00 173.24 174.67 2kcc s SER 32 N 1.67 6.76 -0.00 5.45 0.01 -1.26 -2.89 113.70 123.44 2kcc s SER 32 Ca 0.62 2.64 0.07 0.00 1.31 0.00 0.00 55.95 60.59 2kcc s SER 32 Cb -0.30 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.20 2kcc s SER 32 CO 0.26 -0.57 0.22 0.00 0.41 0.00 0.00 173.24 173.56 2kcc n TYR 33 N 1.41 0.00 -3.43 2.43 0.18 0.28 -4.84 117.16 113.18 2kcc n TYR 33 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 2kcc n TYR 33 Cb 0.42 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 2kcc n TYR 33 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kcc n ALA 34 N -1.41 0.00 -2.41 -3.48 0.00 -0.96 -2.61 120.51 109.63 2kcc n ALA 34 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2kcc n ALA 34 Cb 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 2kcc n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kcc s GLU 35 N -1.49 1.12 -0.19 0.00 2.02 -1.18 0.21 118.70 119.19 2kcc s GLU 35 Ca 0.00 -1.40 -0.07 0.00 0.02 0.00 0.00 54.97 53.52 2kcc s GLU 35 Cb 0.00 0.31 0.08 0.00 0.10 0.00 0.00 34.13 34.62 2kcc s GLU 35 CO 0.00 -0.37 0.41 0.00 0.02 0.00 0.00 175.26 175.32 2kcc s MET 36 N -4.05 0.33 -0.52 1.61 0.23 -0.16 -3.07 119.30 113.66 2kcc s MET 36 Ca 0.26 0.96 -0.22 0.00 -1.03 0.00 0.00 55.69 55.66 2kcc s MET 36 Cb 0.05 0.23 0.05 0.00 -1.53 0.00 0.00 34.83 33.63 2kcc s MET 36 CO 0.05 -0.23 0.78 -2.00 -2.03 0.00 0.00 175.02 171.58 2kcc s GLU 37 N 2.31 3.24 0.62 3.16 2.12 -0.54 -1.83 118.70 127.78 2kcc s GLU 37 Ca -0.03 -0.54 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 2kcc s GLU 37 Cb -0.11 -4.06 0.07 0.00 0.26 0.00 0.00 34.13 30.28 2kcc s GLU 37 CO -0.13 -1.33 0.87 0.08 -0.54 0.00 0.00 175.26 174.22 2kcc s VAL 38 N 3.27 2.45 0.53 3.70 1.01 -0.84 -3.73 120.40 126.79 2kcc s VAL 38 Ca 0.23 -0.59 0.19 0.00 0.00 0.00 0.00 61.98 61.81 2kcc s VAL 38 Cb -0.16 -2.86 0.31 0.00 0.00 0.00 0.00 36.38 33.67 2kcc s VAL 38 CO 0.16 0.00 2.12 0.24 0.00 0.00 0.00 175.10 177.62 2kcc h MET 39 N -0.20 0.00 0.00 2.72 0.00 -1.96 -3.24 114.93 112.25 2kcc h MET 39 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.29 2kcc h MET 39 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.89 2kcc h MET 39 CO 0.49 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.03 2kcc n LYS 40 N -4.44 0.00 -3.16 1.72 4.76 -1.26 -5.06 118.16 110.72 2kcc n LYS 40 Ca 0.00 0.33 -0.09 0.00 -2.87 0.00 0.00 58.31 55.68 2kcc n LYS 40 Cb 0.21 -0.89 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kcc n MET 41 N -1.49 0.57 -2.88 1.97 2.81 -1.22 -5.16 117.12 111.71 2kcc n MET 41 Ca 0.00 -1.84 -0.33 0.00 -1.81 0.00 0.00 57.70 53.72 2kcc n MET 41 Cb 0.00 1.89 -0.06 0.00 -0.71 0.00 0.00 33.22 34.33 2kcc n MET 41 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2kcc s ILE 42 N -2.62 4.51 0.15 2.02 1.10 -1.26 -1.98 121.20 123.11 2kcc s ILE 42 Ca 0.18 1.27 -0.06 0.00 -0.51 0.00 0.00 60.65 61.53 2kcc s ILE 42 Cb -0.01 -3.62 -0.02 0.00 0.15 0.00 0.00 42.46 38.96 2kcc s ILE 42 CO 0.13 -0.32 0.19 -0.04 -2.11 0.00 0.00 174.94 172.79 2kcc s MET 43 N -3.23 1.05 -0.10 3.50 -1.94 -0.76 -4.95 119.30 112.88 2kcc s MET 43 Ca 0.59 -1.26 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 2kcc s MET 43 Cb -0.09 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.07 2kcc s MET 43 CO 0.17 -0.35 -0.24 0.99 -0.01 0.00 0.00 175.02 175.58 2kcc s THR 44 N -3.99 2.07 -0.04 2.05 2.01 -1.26 -0.99 115.64 115.48 2kcc s THR 44 Ca 0.19 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 2kcc s THR 44 Cb 0.05 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 2kcc s THR 44 CO 0.00 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.18 2kcc s LEU 45 N 0.36 4.40 0.34 4.42 1.02 0.13 -4.93 118.68 124.41 2kcc s LEU 45 Ca -0.19 0.93 0.04 0.00 0.02 0.00 0.00 54.13 54.93 2kcc s LEU 45 Cb -0.18 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 2kcc s LEU 45 CO 0.09 0.19 0.15 0.54 0.02 0.00 0.00 176.35 177.33 2kcc s ASN 46 N -0.38 1.97 0.19 2.29 2.20 -1.26 0.99 114.94 120.94 2kcc s ASN 46 Ca 0.25 -1.59 -0.07 0.00 -0.94 0.00 0.00 52.86 50.51 2kcc s ASN 46 Cb -0.16 0.39 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 2kcc s ASN 46 CO 0.13 -0.89 0.46 0.68 -2.94 0.00 0.00 177.10 174.54 2kcc s VAL 47 N -3.46 5.05 -0.81 3.54 -7.23 -1.14 -4.87 120.40 111.48 2kcc s VAL 47 Ca 0.33 0.25 0.26 0.00 -1.81 0.00 0.00 61.98 61.00 2kcc s VAL 47 Cb 0.04 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.48 2kcc s VAL 47 CO 0.17 -0.02 1.55 0.00 -0.31 0.00 0.00 175.10 176.49 2kcc n GLN 48 N -0.04 0.16 -3.96 4.82 0.00 -1.26 -0.95 117.38 116.16 2kcc n GLN 48 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 57.00 56.98 2kcc n GLN 48 Cb 0.52 -1.63 -0.04 0.00 0.00 0.00 0.00 30.24 29.09 2kcc n GLN 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2kcc s GLU 49 N -3.08 1.62 0.11 2.61 2.02 -1.26 -4.77 118.70 115.95 2kcc s GLU 49 Ca 0.10 -1.17 -0.31 0.00 0.02 0.00 0.00 54.97 53.60 2kcc s GLU 49 Cb 0.15 0.51 -0.08 0.00 0.10 0.00 0.00 34.13 34.82 2kcc s GLU 49 CO 0.66 -0.70 1.42 1.03 0.02 0.00 0.00 175.26 177.69 2kcc s ARG 50 N -3.98 4.30 0.00 1.61 3.00 -1.26 -3.18 118.95 119.43 2kcc s ARG 50 Ca 0.19 2.11 0.00 0.00 0.00 0.00 0.00 55.73 58.03 2kcc s ARG 50 Cb -0.02 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.65 2kcc s ARG 50 CO 0.08 -0.48 0.00 0.41 0.00 0.00 0.00 175.30 175.31 2kcc n GLY 51 N 3.56 -0.49 3.72 -3.53 0.00 -0.93 -3.89 105.19 103.64 2kcc n GLY 51 Ca 0.12 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 2kcc n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcc s ARG 52 N -2.00 4.31 -0.20 1.61 0.52 -0.97 -1.93 118.95 120.29 2kcc s ARG 52 Ca 0.00 0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 55.29 2kcc s ARG 52 Cb 0.00 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 2kcc s ARG 52 CO 0.00 0.18 0.86 0.08 0.02 0.00 0.00 175.30 176.45 2kcc s VAL 53 N 0.57 4.83 -0.36 3.52 1.01 -0.54 -1.75 120.40 127.69 2kcc s VAL 53 Ca 0.23 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 2kcc s VAL 53 Cb -0.14 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.16 2kcc s VAL 53 CO 0.08 -0.04 0.11 -0.54 0.00 0.00 0.00 175.10 174.71 2kcc s LYS 54 N 2.56 2.17 0.23 2.72 1.02 -1.05 0.70 119.74 128.09 2kcc s LYS 54 Ca 0.38 -1.57 -0.32 0.00 0.02 0.00 0.00 55.97 54.48 2kcc s LYS 54 Cb -0.16 -3.40 -0.13 0.00 -0.52 0.00 0.00 37.83 33.63 2kcc s LYS 54 CO 0.10 -0.87 1.56 0.66 -0.92 0.00 0.00 175.35 175.88 2kcc n TYR 55 N 4.59 2.52 -0.05 3.18 4.02 -1.26 -0.89 117.16 129.28 2kcc n TYR 55 Ca -0.07 0.27 -0.07 0.00 -0.01 0.00 0.00 57.90 58.03 2kcc n TYR 55 Cb 0.42 -2.56 -0.02 0.00 -0.02 0.00 0.00 39.34 37.16 2kcc n TYR 55 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2kcc n ILE 56 N 2.67 1.39 -1.36 -0.72 -0.00 -1.24 -4.91 119.36 115.20 2kcc n ILE 56 Ca 0.13 0.21 -0.30 0.00 -0.00 0.00 0.00 62.75 62.78 2kcc n ILE 56 Cb 0.33 -2.07 0.10 0.00 -0.00 0.00 0.00 39.64 38.00 2kcc n ILE 56 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2kcc s LYS 57 N -2.59 1.90 0.44 0.38 -0.14 -1.26 -5.06 119.74 113.43 2kcc s LYS 57 Ca -0.20 0.86 -0.00 0.00 -1.36 0.00 0.00 55.97 55.27 2kcc s LYS 57 Cb 0.03 -1.88 -0.01 0.00 -1.68 0.00 0.00 37.83 34.29 2kcc s LYS 57 CO 0.29 -1.80 0.67 1.03 -0.76 0.00 0.00 175.35 174.78 2kcc s ARG 58 N -5.00 3.16 0.28 1.68 3.00 -1.26 -5.05 118.95 115.76 2kcc s ARG 58 Ca 0.62 -0.39 -0.30 0.00 0.00 0.00 0.00 55.73 55.66 2kcc s ARG 58 Cb -0.16 -2.55 -0.10 0.00 0.00 0.00 0.00 34.95 32.14 2kcc s ARG 58 CO 0.56 -0.22 1.41 -1.25 0.00 0.00 0.00 175.30 175.80 2kcc s PRO 59 N -4.55 4.28 0.00 3.54 0.04 -1.26 -2.59 135.00 134.45 2kcc s PRO 59 Ca 0.47 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2kcc s PRO 59 Cb -0.10 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2kcc s PRO 59 CO 0.38 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2kcc n GLY 60 N 1.77 3.09 3.71 0.56 0.00 -1.17 -5.02 105.19 108.12 2kcc n GLY 60 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kcc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc n ALA 61 N -0.69 1.47 -2.62 4.61 0.00 -1.07 -4.50 120.51 117.71 2kcc n ALA 61 Ca 0.00 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 2kcc n ALA 61 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 2kcc n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kcc s VAL 62 N -1.11 4.62 0.21 0.00 1.01 -1.26 -1.78 120.40 122.08 2kcc s VAL 62 Ca 0.56 1.90 -0.26 0.00 0.00 0.00 0.00 61.98 64.18 2kcc s VAL 62 Cb -0.54 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.53 2kcc s VAL 62 CO 0.62 0.04 0.82 -0.76 0.00 0.00 0.00 175.10 175.82 2kcc s LEU 63 N 1.79 4.54 0.21 3.92 1.43 -0.65 -4.90 118.68 125.01 2kcc s LEU 63 Ca 0.52 1.70 0.11 0.00 -1.03 0.00 0.00 54.13 55.42 2kcc s LEU 63 Cb -0.21 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2kcc s LEU 63 CO 0.22 0.15 -0.22 -0.70 0.23 0.00 0.00 176.35 176.02 2kcc s GLU 64 N -1.37 1.50 -0.25 1.70 2.12 -1.26 0.11 118.70 121.25 2kcc s GLU 64 Ca 0.39 -1.56 -0.28 0.00 0.36 0.00 0.00 54.97 53.89 2kcc s GLU 64 Cb -0.22 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 2kcc s GLU 64 CO 0.26 0.36 2.12 0.00 -0.54 0.00 0.00 175.26 177.46 2kcc s ALA 65 N -1.94 2.73 0.00 6.30 0.00 -1.25 -1.23 121.76 126.37 2kcc s ALA 65 Ca 0.22 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2kcc s ALA 65 Cb -0.07 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2kcc s ALA 65 CO 0.10 -2.80 0.00 0.41 0.00 0.00 0.00 175.76 173.47 2kcc n GLY 66 N 5.69 3.18 3.75 0.00 0.00 -1.14 -4.95 105.19 111.73 2kcc n GLY 66 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 2kcc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc s VAL 68 N -1.47 4.01 -0.20 0.00 1.01 -1.26 -2.37 120.40 120.12 2kcc s VAL 68 Ca 0.73 0.59 0.17 0.00 0.00 0.00 0.00 61.98 63.47 2kcc s VAL 68 Cb -0.34 -4.75 0.07 0.00 0.00 0.00 0.00 36.38 31.36 2kcc s VAL 68 CO 0.39 -1.45 1.33 -0.37 0.00 0.00 0.00 175.10 174.99 2kcc h VAL 69 N 6.09 0.60 -1.27 2.92 -1.51 -1.79 -3.38 116.25 117.92 2kcc h VAL 69 Ca -0.26 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2kcc h VAL 69 Cb 1.06 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2kcc h VAL 69 CO 1.20 0.34 0.00 0.00 -1.23 0.00 0.00 177.57 177.88 2kcc n ALA 70 N -2.23 0.00 -2.30 5.19 0.00 -1.14 -3.70 120.51 116.33 2kcc n ALA 70 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2kcc n ALA 70 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 2kcc n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcc s ARG 71 N -0.53 1.74 0.09 0.00 1.81 -0.07 -1.32 118.95 120.67 2kcc s ARG 71 Ca 0.00 -2.01 -0.04 0.00 -1.72 0.00 0.00 55.73 51.96 2kcc s ARG 71 Cb 0.00 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.73 2kcc s ARG 71 CO 0.00 -0.62 0.08 -0.51 -0.68 0.00 0.00 175.30 173.56 2kcc s LEU 72 N -3.38 1.91 -0.37 2.53 2.01 -0.80 -2.52 118.68 118.06 2kcc s LEU 72 Ca 0.39 -0.95 0.02 0.00 0.01 0.00 0.00 54.13 53.60 2kcc s LEU 72 Cb 0.03 0.53 0.15 0.00 0.01 0.00 0.00 46.19 46.91 2kcc s LEU 72 CO 0.26 -0.69 0.30 -0.70 1.01 0.00 0.00 176.35 176.53 2kcc s GLU 73 N -3.94 0.67 -0.23 1.70 2.12 -0.72 -4.41 118.70 113.89 2kcc s GLU 73 Ca 0.11 -1.38 -0.28 0.00 0.36 0.00 0.00 54.97 53.78 2kcc s GLU 73 Cb 0.07 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 2kcc s GLU 73 CO -0.07 -1.25 2.10 -0.51 -0.54 0.00 0.00 175.26 174.99 2kcc s LEU 74 N 0.93 3.53 -1.09 2.70 1.43 -1.25 -2.30 118.68 122.63 2kcc s LEU 74 Ca 0.21 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 2kcc s LEU 74 Cb -0.14 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 2kcc s LEU 74 CO -0.05 -1.83 2.21 -0.67 0.23 0.00 0.00 176.35 176.24 2kcc n ASP 75 N 11.05 4.55 -4.62 2.29 2.03 -1.25 -4.90 116.55 125.71 2kcc n ASP 75 Ca 0.27 -2.58 -0.43 0.00 0.52 0.00 0.00 54.79 52.58 2kcc n ASP 75 Cb 0.45 -1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 39.55 2kcc n ASP 75 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kcc s ASP 76 N 3.69 6.54 -1.22 1.67 -4.77 -1.26 -4.91 116.67 116.40 2kcc s ASP 76 Ca 0.51 0.97 -0.07 0.00 -3.30 0.00 0.00 52.55 50.67 2kcc s ASP 76 Cb 0.14 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.43 2kcc s ASP 76 CO 0.00 -1.23 2.73 -0.11 0.70 0.00 0.00 175.17 177.26 2kcc n LEU 77 N 8.10 7.91 0.14 2.11 7.94 -1.26 -4.56 117.00 137.37 2kcc n LEU 77 Ca 0.15 -4.49 -0.00 0.00 -1.11 0.00 0.00 56.01 50.56 2kcc n LEU 77 Cb 0.47 -1.42 0.18 0.00 0.53 0.00 0.00 43.42 43.18 2kcc n LEU 77 CO 0.67 2.00 0.50 1.05 -1.11 0.00 0.00 177.39 180.51 2kcc h GLU 78 N 4.43 0.00 0.00 1.96 4.11 -2.00 -3.45 114.58 119.63 2kcc h GLU 78 Ca 0.69 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.75 2kcc h GLU 78 Cb 0.44 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.87 2kcc h GLU 78 CO 1.42 0.60 0.10 1.58 0.07 0.00 0.00 179.01 182.77 2kcc n HIS 79 N -3.69 -3.83 -4.22 2.06 -0.00 -1.26 -5.06 115.22 99.22 2kcc n HIS 79 Ca -0.01 -0.91 -0.29 0.00 0.46 0.00 0.00 57.72 56.97 2kcc n HIS 79 Cb 0.62 -1.05 -0.10 0.00 -0.12 0.00 0.00 29.99 29.34 2kcc n HIS 79 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcc s HIS 80 N -2.81 2.76 0.21 1.57 3.76 -1.26 -5.14 115.29 114.38 2kcc s HIS 80 Ca 0.66 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.43 2kcc s HIS 80 Cb -0.07 -1.43 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 2kcc s HIS 80 CO 0.50 0.44 0.06 -2.39 -0.85 0.00 0.00 174.74 172.51 2kcc n HIS 81 N 0.59 0.14 -4.08 1.40 1.44 -1.26 -5.17 115.22 108.28 2kcc n HIS 81 Ca -0.13 -1.31 -0.13 0.00 -2.01 0.00 0.00 57.72 54.15 2kcc n HIS 81 Cb 0.53 -0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.50 2kcc n HIS 81 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kcc s HIS 82 N -2.26 0.72 -0.12 -1.40 3.76 -1.26 -5.05 115.29 109.70 2kcc s HIS 82 Ca 0.09 -0.55 0.20 0.00 -0.15 0.00 0.00 55.06 54.65 2kcc s HIS 82 Cb 0.00 -0.43 -0.24 0.00 1.11 0.00 0.00 32.58 33.03 2kcc s HIS 82 CO 0.06 -0.09 0.50 1.58 -0.85 0.00 0.00 174.74 175.94 2kcc n HIS 83 N 1.27 0.31 0.94 1.40 -0.00 -1.26 -5.37 115.22 112.51 2kcc n HIS 83 Ca -0.21 0.10 0.11 0.00 0.46 0.00 0.00 57.72 58.18 2kcc n HIS 83 Cb 0.55 -0.81 0.09 0.00 -0.12 0.00 0.00 29.99 29.71 2kcc n HIS 83 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38