#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 3.42 -0.35 0.03 2.02 -1.26 -5.03 118.70 117.54 2kcc s GLU 2 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.60 2kcc s GLU 2 Cb 0.00 -3.87 0.10 0.00 0.10 0.00 0.00 34.13 30.47 2kcc s GLU 2 CO 0.00 -0.70 0.06 1.21 0.02 0.00 0.00 175.26 175.86 2kcc s ASN 3 N 1.79 4.68 0.65 -0.19 3.04 -1.26 -5.11 114.94 118.54 2kcc s ASN 3 Ca 0.15 -2.16 -0.10 0.00 0.04 0.00 0.00 52.86 50.79 2kcc s ASN 3 Cb -0.16 -1.56 -0.00 0.00 -1.54 0.00 0.00 41.25 37.98 2kcc s ASN 3 CO 0.13 -0.38 1.03 -1.81 -3.04 0.00 0.00 177.10 173.04 2kcc s ASP 4 N 0.90 5.70 0.56 -4.21 1.11 -1.26 -4.97 116.67 114.51 2kcc s ASP 4 Ca 0.11 1.12 0.35 0.00 0.18 0.00 0.00 52.55 54.31 2kcc s ASP 4 Cb -0.19 -2.04 1.53 0.00 1.07 0.00 0.00 42.92 43.29 2kcc s ASP 4 CO -0.09 -1.14 2.05 1.55 1.18 0.00 0.00 175.17 178.71 2kcc h PRO 5 N -0.45 0.00 -0.00 8.23 0.13 -1.99 -2.31 132.00 135.61 2kcc h PRO 5 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kcc h PRO 5 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kcc h PRO 5 CO 0.63 0.02 -0.33 0.25 -0.23 0.00 0.00 178.00 178.34 2kcc n THR 6 N -3.13 0.00 -3.26 1.56 -2.24 -1.26 -4.79 114.28 101.15 2kcc n THR 6 Ca -0.00 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2kcc n THR 6 Cb 0.27 0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 2kcc n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kcc s VAL 7 N -2.90 5.07 -0.01 2.28 1.01 -0.87 0.16 120.40 125.14 2kcc s VAL 7 Ca 0.15 0.69 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 2kcc s VAL 7 Cb 0.18 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2kcc s VAL 7 CO 0.62 0.02 0.55 -0.22 0.00 0.00 0.00 175.10 176.07 2kcc s LEU 8 N 2.30 4.42 -0.13 3.92 0.20 -1.01 -4.80 118.68 123.58 2kcc s LEU 8 Ca 0.19 1.10 -0.13 0.00 0.69 0.00 0.00 54.13 55.99 2kcc s LEU 8 Cb -0.16 -2.85 0.04 0.00 -0.43 0.00 0.00 46.19 42.79 2kcc s LEU 8 CO 0.10 0.14 0.37 -0.13 -0.29 0.00 0.00 176.35 176.54 2kcc s ARG 9 N -0.29 0.45 0.56 1.98 0.52 -1.26 -2.09 118.95 118.82 2kcc s ARG 9 Ca 0.29 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.76 2kcc s ARG 9 Cb -0.18 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 2kcc s ARG 9 CO 0.16 -0.06 1.15 0.45 0.02 0.00 0.00 175.30 177.02 2kcc s SER 10 N 0.07 5.56 0.36 0.23 0.15 -1.10 -4.86 113.70 114.11 2kcc s SER 10 Ca -0.01 2.24 0.19 0.00 0.70 0.00 0.00 55.95 59.07 2kcc s SER 10 Cb -0.03 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.22 2kcc s SER 10 CO 0.01 -1.33 1.65 1.55 1.20 0.00 0.00 173.24 176.32 2kcc h PRO 11 N 1.11 0.00 -3.59 5.44 0.13 -1.93 -3.17 132.00 130.00 2kcc h PRO 11 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2kcc h PRO 11 Cb 1.27 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 2kcc h PRO 11 CO 0.56 0.36 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.09 2kcc s SER 12 N -6.35 -0.02 -0.03 1.44 1.04 -1.26 -4.70 113.70 103.82 2kcc s SER 12 Ca 0.02 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.19 2kcc s SER 12 Cb 0.09 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2kcc s SER 12 CO 0.69 -1.21 1.14 0.00 0.98 0.00 0.00 173.24 174.84 2kcc s ALA 13 N -3.83 3.41 0.00 5.32 0.00 -1.26 -3.74 121.76 121.66 2kcc s ALA 13 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2kcc s ALA 13 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2kcc s ALA 13 CO 0.10 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2kcc n GLY 14 N 3.22 4.31 3.64 0.00 0.00 0.12 -4.84 105.19 111.63 2kcc n GLY 14 Ca 0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 4.01 0.70 -0.64 1.61 2.36 -1.25 -1.56 119.74 124.97 2kcc s LYS 15 Ca 0.00 0.96 -0.26 0.00 -2.55 0.00 0.00 55.97 54.12 2kcc s LYS 15 Cb 0.00 0.27 -0.04 0.00 -1.05 0.00 0.00 37.83 37.01 2kcc s LYS 15 CO 0.00 -0.11 2.00 -1.17 1.55 0.00 0.00 175.35 177.63 2kcc s LEU 16 N 0.81 3.28 -0.01 5.43 2.96 -0.41 -1.21 118.68 129.52 2kcc s LEU 16 Ca -0.03 0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 54.00 2kcc s LEU 16 Cb -0.05 -2.53 -0.25 0.00 0.50 0.00 0.00 46.19 43.86 2kcc s LEU 16 CO -0.08 -2.59 1.05 0.00 -1.32 0.00 0.00 176.35 173.41 2kcc h THR 17 N 7.13 1.46 -0.94 3.68 1.03 -1.84 -3.24 112.91 120.19 2kcc h THR 17 Ca -0.20 -2.16 0.00 0.00 -0.01 0.00 0.00 66.41 64.04 2kcc h THR 17 Cb 1.15 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 70.98 2kcc h THR 17 CO 1.20 0.62 0.00 0.00 -0.01 0.00 0.00 175.52 177.33 2kcc n GLN 18 N -4.23 0.00 -3.75 0.00 1.13 -1.24 -4.93 117.38 104.37 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.82 2kcc n GLN 18 Cb 0.69 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.93 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2kcc s TYR 19 N -3.74 -0.39 -1.40 1.08 1.13 -1.26 -2.79 117.35 109.97 2kcc s TYR 19 Ca 0.00 0.95 0.23 0.00 -1.41 0.00 0.00 57.07 56.85 2kcc s TYR 19 Cb 0.00 0.14 0.20 0.00 -1.10 0.00 0.00 41.96 41.20 2kcc s TYR 19 CO 0.00 -0.19 1.21 0.25 -2.51 0.00 0.00 175.55 174.30 2kcc n THR 20 N 3.01 0.00 -3.75 -3.49 -2.24 -1.23 -4.93 114.28 101.65 2kcc n THR 20 Ca -0.14 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2kcc n THR 20 Cb 0.57 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.78 0.01 1.17 2.28 -7.23 -1.24 -4.97 120.40 107.64 2kcc s VAL 21 Ca 0.15 -0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 60.03 2kcc s VAL 21 Cb 0.18 -0.53 0.29 0.00 0.56 0.00 0.00 36.38 36.88 2kcc s VAL 21 CO 0.69 -0.05 0.97 -1.84 -0.31 0.00 0.00 175.10 174.56 2kcc n GLU 22 N 2.58 -3.26 -1.67 4.82 0.28 -1.26 -4.78 120.64 117.35 2kcc n GLU 22 Ca -0.15 -1.57 -0.42 0.00 -0.16 0.00 0.00 57.16 54.86 2kcc n GLU 22 Cb 0.57 -1.55 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 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 -4.87 4.12 -0.05 -1.84 2.03 -1.26 -1.51 116.55 113.18 2kcc n ASP 23 Ca 0.14 0.94 -0.00 0.00 0.52 0.00 0.00 54.79 56.38 2kcc n ASP 23 Cb 0.54 -1.53 -0.00 0.00 -0.72 0.00 0.00 41.12 39.41 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcc n GLY 24 N 4.43 0.37 3.62 0.27 0.00 0.29 -4.94 105.19 109.23 2kcc n GLY 24 Ca 0.19 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.98 1.05 -0.02 -0.02 0.00 -0.51 -4.50 107.32 100.34 2kcc s GLY 25 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.93 2kcc s GLY 25 CO 0.00 3.19 1.90 -1.58 0.00 0.00 0.00 173.10 176.61 2kcc s HIS 26 N 5.93 1.47 -0.08 1.90 2.46 -1.26 -2.20 115.29 123.50 2kcc s HIS 26 Ca 0.78 -0.19 -0.07 0.00 0.47 0.00 0.00 55.06 56.05 2kcc s HIS 26 Cb -0.26 -4.13 0.03 0.00 -0.13 0.00 0.00 32.58 28.08 2kcc s HIS 26 CO 0.32 -4.95 0.21 0.14 -2.47 0.00 0.00 174.74 167.99 2kcc s VAL 27 N 4.70 -0.01 0.57 0.89 -7.23 -0.87 -4.97 120.40 113.47 2kcc s VAL 27 Ca 0.85 0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.97 2kcc s VAL 27 Cb -0.39 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2kcc s VAL 27 CO 0.38 0.01 0.91 -1.83 -0.31 0.00 0.00 175.10 174.26 2kcc s GLU 28 N 0.33 3.39 -0.03 4.82 -1.05 -1.26 -2.45 118.70 122.45 2kcc s GLU 28 Ca -0.02 0.36 -0.38 0.00 -0.15 0.00 0.00 54.97 54.79 2kcc s GLU 28 Cb -0.03 -2.23 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.01 -0.48 1.46 0.00 0.95 0.00 0.00 175.26 177.17 2kcc n ALA 29 N -2.54 -0.84 0.00 -0.84 0.00 -1.23 -0.66 120.51 114.40 2kcc n ALA 29 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kcc n ALA 29 Cb 0.55 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 3.01 3.13 3.72 0.00 0.00 0.37 -4.94 105.19 110.47 2kcc n GLY 30 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 6.98 0.24 1.61 0.15 0.17 -4.68 113.70 118.27 2kcc s SER 31 Ca 0.00 2.20 -0.30 0.00 0.70 0.00 0.00 55.95 58.55 2kcc s SER 31 Cb 0.00 -2.59 -0.10 0.00 -1.71 0.00 0.00 66.02 61.62 2kcc s SER 31 CO 0.00 -0.51 1.38 -0.94 1.20 0.00 0.00 173.24 174.36 2kcc s SER 32 N 0.81 6.75 -0.00 5.45 1.04 -1.26 -2.40 113.70 124.09 2kcc s SER 32 Ca 0.59 2.58 0.06 0.00 0.48 0.00 0.00 55.95 59.67 2kcc s SER 32 Cb -0.33 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.09 2kcc s SER 32 CO 0.32 -0.62 0.25 0.00 0.98 0.00 0.00 173.24 174.17 2kcc n TYR 33 N 2.20 0.00 -3.63 5.02 0.18 -0.09 -4.78 117.16 116.06 2kcc n TYR 33 Ca 0.06 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.84 2kcc n TYR 33 Cb 0.41 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 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 -1.21 -0.13 -2.64 -3.48 0.00 -1.19 -3.48 120.51 108.39 2kcc n ALA 34 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2kcc n ALA 34 Cb 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 2kcc n ALA 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kcc s GLU 35 N -2.00 0.82 -0.17 0.00 2.12 -1.12 -1.57 118.70 116.78 2kcc s GLU 35 Ca 0.01 -0.88 -0.06 0.00 0.36 0.00 0.00 54.97 54.40 2kcc s GLU 35 Cb -0.00 0.34 0.07 0.00 0.26 0.00 0.00 34.13 34.80 2kcc s GLU 35 CO 0.00 -0.26 0.36 0.00 -0.54 0.00 0.00 175.26 174.82 2kcc s MET 36 N -3.59 0.27 -0.54 4.30 0.23 0.13 -2.68 119.30 117.43 2kcc s MET 36 Ca 0.03 0.87 -0.21 0.00 -1.03 0.00 0.00 55.69 55.35 2kcc s MET 36 Cb 0.04 0.13 0.06 0.00 -1.53 0.00 0.00 34.83 33.53 2kcc s MET 36 CO -0.10 -0.24 0.76 -2.00 -2.03 0.00 0.00 175.02 171.42 2kcc s GLU 37 N 2.27 3.18 0.53 3.16 2.12 -0.35 -2.58 118.70 127.03 2kcc s GLU 37 Ca -0.03 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 2kcc s GLU 37 Cb -0.11 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.18 2kcc s GLU 37 CO -0.11 -1.38 0.77 0.54 -0.54 0.00 0.00 175.26 174.54 2kcc s VAL 38 N 3.19 3.42 0.59 3.70 0.11 -1.06 -3.77 120.40 126.59 2kcc s VAL 38 Ca 0.20 -0.43 0.29 0.00 -2.93 0.00 0.00 61.98 59.11 2kcc s VAL 38 Cb -0.17 -3.30 0.37 0.00 -1.53 0.00 0.00 36.38 31.74 2kcc s VAL 38 CO 0.14 -0.24 2.04 0.24 -3.33 0.00 0.00 175.10 173.94 2kcc h MET 39 N 0.11 0.00 0.00 1.54 0.00 -1.95 -3.15 114.93 111.48 2kcc h MET 39 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.25 2kcc h MET 39 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.87 2kcc h MET 39 CO 0.57 0.00 0.00 1.17 0.00 0.00 0.00 176.91 178.65 2kcc n LYS 40 N -3.77 0.00 -3.84 1.72 3.00 -1.26 -5.06 118.16 108.94 2kcc n LYS 40 Ca 0.04 0.22 -0.13 0.00 -0.00 0.00 0.00 58.31 58.44 2kcc n LYS 40 Cb 0.43 -0.81 -0.02 0.00 0.00 0.00 0.00 35.03 34.64 2kcc n LYS 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2kcc n MET 41 N -1.16 0.78 -2.86 1.64 1.56 -1.19 -5.15 117.12 110.74 2kcc n MET 41 Ca 0.00 -2.58 -0.40 0.00 -0.27 0.00 0.00 57.70 54.46 2kcc n MET 41 Cb 0.00 2.62 -0.06 0.00 2.15 0.00 0.00 33.22 37.93 2kcc n MET 41 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 2kcc s ILE 42 N -2.65 4.22 0.04 1.12 1.10 -1.26 -2.55 121.20 121.22 2kcc s ILE 42 Ca 0.25 1.91 -0.08 0.00 -0.51 0.00 0.00 60.65 62.22 2kcc s ILE 42 Cb -0.02 -4.24 0.00 0.00 0.15 0.00 0.00 42.46 38.35 2kcc s ILE 42 CO 0.18 0.50 0.17 0.00 -2.11 0.00 0.00 174.94 173.68 2kcc s MET 43 N -1.12 0.66 -0.07 3.50 0.23 -1.07 -4.99 119.30 116.45 2kcc s MET 43 Ca 0.39 -0.66 0.04 0.00 -1.03 0.00 0.00 55.69 54.43 2kcc s MET 43 Cb -0.25 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.31 2kcc s MET 43 CO 0.29 -0.19 -0.20 0.99 -2.03 0.00 0.00 175.02 173.89 2kcc s THR 44 N -2.56 2.52 0.21 3.16 2.01 -1.26 -0.69 115.64 119.02 2kcc s THR 44 Ca -0.05 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 2kcc s THR 44 Cb -0.01 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 2kcc s THR 44 CO -0.04 0.56 0.50 -0.76 -0.69 0.00 0.00 174.62 174.19 2kcc s LEU 45 N -0.16 4.18 0.35 4.42 2.01 -0.61 -4.96 118.68 123.91 2kcc s LEU 45 Ca -0.02 0.79 0.04 0.00 0.01 0.00 0.00 54.13 54.95 2kcc s LEU 45 Cb -0.14 -3.55 -0.03 0.00 0.01 0.00 0.00 46.19 42.48 2kcc s LEU 45 CO 0.04 -0.05 0.18 0.54 1.01 0.00 0.00 176.35 178.06 2kcc s ASN 46 N -2.48 2.07 0.08 2.29 2.20 -1.26 -0.92 114.94 116.92 2kcc s ASN 46 Ca 0.45 -1.65 -0.12 0.00 -0.94 0.00 0.00 52.86 50.59 2kcc s ASN 46 Cb -0.11 0.47 -0.06 0.00 -2.00 0.00 0.00 41.25 39.55 2kcc s ASN 46 CO 0.23 -0.95 0.45 0.68 -2.94 0.00 0.00 177.10 174.58 2kcc s VAL 47 N -3.41 5.00 -1.09 3.54 -7.23 -1.01 -4.84 120.40 111.37 2kcc s VAL 47 Ca 0.32 0.66 0.27 0.00 -1.81 0.00 0.00 61.98 61.42 2kcc s VAL 47 Cb 0.03 -3.69 0.15 0.00 0.56 0.00 0.00 36.38 33.43 2kcc s VAL 47 CO 0.19 0.34 1.65 0.00 -0.31 0.00 0.00 175.10 176.97 2kcc n GLN 48 N 1.08 0.10 -3.69 4.82 -0.00 -1.26 -0.48 117.38 117.95 2kcc n GLN 48 Ca -0.08 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.00 56.78 2kcc n GLN 48 Cb 0.52 -1.50 -0.04 0.00 -0.00 0.00 0.00 30.24 29.22 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 -2.93 1.25 0.03 2.61 2.02 -1.26 -4.84 118.70 115.58 2kcc s GLU 49 Ca 0.14 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 2kcc s GLU 49 Cb 0.18 0.50 -0.07 0.00 0.10 0.00 0.00 34.13 34.85 2kcc s GLU 49 CO 0.61 -0.52 1.49 1.03 0.02 0.00 0.00 175.26 177.89 2kcc s ARG 50 N -3.85 4.25 0.00 1.61 3.00 -1.26 -3.57 118.95 119.13 2kcc s ARG 50 Ca 0.07 2.10 0.00 0.00 0.00 0.00 0.00 55.73 57.90 2kcc s ARG 50 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 34.95 31.38 2kcc s ARG 50 CO -0.07 -0.63 0.00 0.41 0.00 0.00 0.00 175.30 175.01 2kcc n GLY 51 N 3.77 -1.02 3.65 -3.53 0.00 -1.02 -4.01 105.19 103.02 2kcc n GLY 51 Ca 0.14 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 4.12 -0.09 1.61 0.52 -1.00 -2.06 118.95 120.05 2kcc s ARG 52 Ca 0.00 0.14 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 2kcc s ARG 52 Cb 0.00 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 2kcc s ARG 52 CO 0.00 -0.12 0.91 0.08 0.02 0.00 0.00 175.30 176.19 2kcc s VAL 53 N 1.57 4.87 -0.22 3.52 1.01 -0.93 -0.20 120.40 130.01 2kcc s VAL 53 Ca 0.17 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 2kcc s VAL 53 Cb -0.15 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.02 2kcc s VAL 53 CO 0.08 0.08 -0.11 -0.54 0.00 0.00 0.00 175.10 174.61 2kcc s LYS 54 N 1.64 2.96 0.09 2.72 -0.14 0.83 0.10 119.74 127.95 2kcc s LYS 54 Ca 0.45 -0.88 -0.32 0.00 -1.36 0.00 0.00 55.97 53.86 2kcc s LYS 54 Cb -0.18 -2.83 -0.11 0.00 -1.68 0.00 0.00 37.83 33.02 2kcc s LYS 54 CO 0.19 -0.30 1.81 0.66 -0.76 0.00 0.00 175.35 176.94 2kcc n TYR 55 N 4.66 2.52 -0.08 3.18 4.02 -1.26 -0.90 117.16 129.30 2kcc n TYR 55 Ca -0.18 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.49 2kcc n TYR 55 Cb 0.49 -2.69 -0.05 0.00 -0.02 0.00 0.00 39.34 37.06 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 4.59 1.30 -1.28 -0.72 -0.00 -1.22 -4.92 119.36 117.11 2kcc n ILE 56 Ca 0.19 -0.06 -0.30 0.00 -0.00 0.00 0.00 62.75 62.58 2kcc n ILE 56 Cb 0.35 -1.97 0.22 0.00 -0.00 0.00 0.00 39.64 38.23 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 -2.54 -0.53 0.35 0.38 -0.14 -1.25 -5.04 119.74 110.98 2kcc s LYS 57 Ca -0.26 -0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.29 2kcc s LYS 57 Cb 0.08 -1.67 -0.04 0.00 -1.68 0.00 0.00 37.83 34.51 2kcc s LYS 57 CO 0.35 -3.26 0.58 1.03 -0.76 0.00 0.00 175.35 173.30 2kcc s ARG 58 N -5.44 3.52 0.09 1.68 0.52 -1.26 -5.05 118.95 113.01 2kcc s ARG 58 Ca 0.70 -0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 55.41 2kcc s ARG 58 Cb -0.10 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.68 2kcc s ARG 58 CO 0.55 0.11 1.31 -1.25 0.02 0.00 0.00 175.30 176.04 2kcc s PRO 59 N -4.23 4.37 0.00 3.54 0.04 -1.26 -2.80 135.00 134.66 2kcc s PRO 59 Ca 0.42 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2kcc s PRO 59 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2kcc s PRO 59 CO 0.36 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2kcc n GLY 60 N 3.37 3.03 3.64 0.56 0.00 -1.23 -5.02 105.19 109.55 2kcc n GLY 60 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.88 0.42 -2.65 4.61 0.00 -1.12 -4.26 120.51 116.63 2kcc n ALA 61 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2kcc n ALA 61 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 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 -1.48 4.70 0.38 0.00 1.01 -1.26 -1.28 120.40 122.47 2kcc s VAL 62 Ca 0.77 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 64.54 2kcc s VAL 62 Cb -0.41 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.62 2kcc s VAL 62 CO 0.46 0.06 0.83 -0.76 0.00 0.00 0.00 175.10 175.69 2kcc s LEU 63 N 1.66 3.95 0.07 3.92 1.43 -0.60 -4.89 118.68 124.22 2kcc s LEU 63 Ca 0.51 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 55.09 2kcc s LEU 63 Cb -0.21 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2kcc s LEU 63 CO 0.22 -0.31 -0.17 -1.61 0.23 0.00 0.00 176.35 174.71 2kcc s GLU 64 N -3.26 1.02 -0.62 1.70 2.02 -1.26 0.14 118.70 118.45 2kcc s GLU 64 Ca 0.57 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 2kcc s GLU 64 Cb -0.10 -1.13 -0.09 0.00 0.10 0.00 0.00 34.13 32.92 2kcc s GLU 64 CO 0.19 0.27 2.35 0.00 0.02 0.00 0.00 175.26 178.09 2kcc s ALA 65 N -1.07 1.36 0.00 5.21 0.00 -1.25 -1.01 121.76 125.00 2kcc s ALA 65 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2kcc s ALA 65 Cb -0.09 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2kcc s ALA 65 CO 0.03 -4.92 0.00 0.41 0.00 0.00 0.00 175.76 171.27 2kcc n GLY 66 N 6.28 1.52 3.75 0.00 0.00 -1.20 -4.88 105.19 110.67 2kcc n GLY 66 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.57 4.43 0.01 0.00 1.01 -1.26 -2.71 120.40 120.30 2kcc s VAL 68 Ca 0.76 1.36 0.11 0.00 0.00 0.00 0.00 61.98 64.20 2kcc s VAL 68 Cb -0.31 -4.46 -0.15 0.00 0.00 0.00 0.00 36.38 31.47 2kcc s VAL 68 CO 0.34 -0.69 1.18 0.58 0.00 0.00 0.00 175.10 176.51 2kcc h VAL 69 N 5.94 1.28 -1.09 2.92 2.07 -1.75 -3.37 116.25 122.25 2kcc h VAL 69 Ca -0.22 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.38 2kcc h VAL 69 Cb 1.07 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2kcc h VAL 69 CO 1.05 0.73 0.00 0.00 0.02 0.00 0.00 177.57 179.37 2kcc n ALA 70 N -2.36 0.00 -3.53 1.67 0.00 -1.20 -3.42 120.51 111.67 2kcc n ALA 70 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2kcc n ALA 70 Cb 0.90 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.12 0.02 -0.22 0.00 1.81 -0.07 -2.40 118.95 117.96 2kcc s ARG 71 Ca 0.00 0.12 -0.16 0.00 -1.72 0.00 0.00 55.73 53.97 2kcc s ARG 71 Cb 0.00 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 2kcc s ARG 71 CO 0.00 -0.12 0.41 -0.51 -0.68 0.00 0.00 175.30 174.40 2kcc s LEU 72 N 0.79 4.12 -1.10 2.53 2.01 0.41 -0.12 118.68 127.33 2kcc s LEU 72 Ca -0.07 0.47 -0.15 0.00 0.01 0.00 0.00 54.13 54.40 2kcc s LEU 72 Cb -0.10 -2.51 0.17 0.00 0.01 0.00 0.00 46.19 43.76 2kcc s LEU 72 CO -0.02 -0.12 1.27 -1.61 1.01 0.00 0.00 176.35 176.88 2kcc s GLU 73 N 1.57 3.94 -0.07 1.70 0.41 0.72 -4.59 118.70 122.37 2kcc s GLU 73 Ca 0.18 -2.42 -0.29 0.00 -0.41 0.00 0.00 54.97 52.03 2kcc s GLU 73 Cb -0.15 -4.93 -0.07 0.00 -1.78 0.00 0.00 34.13 27.21 2kcc s GLU 73 CO 0.08 -1.68 1.92 -0.51 -0.49 0.00 0.00 175.26 174.59 2kcc s LEU 74 N 1.48 4.13 -1.06 1.80 1.02 -1.26 -2.38 118.68 122.40 2kcc s LEU 74 Ca 0.37 2.29 -0.13 0.00 0.02 0.00 0.00 54.13 56.68 2kcc s LEU 74 Cb -0.05 -3.53 -0.08 0.00 0.02 0.00 0.00 46.19 42.56 2kcc s LEU 74 CO -0.04 -1.26 2.20 -0.67 0.02 0.00 0.00 176.35 176.59 2kcc n ASP 75 N 8.51 4.56 -4.78 2.29 2.03 -1.26 -4.92 116.55 122.98 2kcc n ASP 75 Ca 0.21 -2.55 -0.36 0.00 0.52 0.00 0.00 54.79 52.61 2kcc n ASP 75 Cb 0.43 -1.26 -0.05 0.00 -0.72 0.00 0.00 41.12 39.52 2kcc n ASP 75 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kcc s ASP 76 N 3.70 6.88 0.02 1.67 1.01 -1.26 -4.97 116.67 123.72 2kcc s ASP 76 Ca 0.51 1.97 0.07 0.00 0.71 0.00 0.00 52.55 55.81 2kcc s ASP 76 Cb 0.13 -2.58 -0.23 0.00 1.01 0.00 0.00 42.92 41.25 2kcc s ASP 76 CO 0.00 -0.40 0.90 0.25 0.21 0.00 0.00 175.17 176.13 2kcc h LEU 77 N 2.57 0.09 -6.99 1.23 5.85 -2.05 -3.40 115.31 112.61 2kcc h LEU 77 Ca -0.48 -0.14 -0.59 0.00 0.84 0.00 0.00 57.88 57.51 2kcc h LEU 77 Cb 1.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2kcc h LEU 77 CO 0.63 1.12 2.15 1.21 -0.34 0.00 0.00 178.44 183.21 2kcc n GLU 78 N -3.24 2.10 -3.33 1.25 4.07 -1.26 -4.67 120.64 115.55 2kcc n GLU 78 Ca -0.12 -2.41 0.03 0.00 -0.06 0.00 0.00 57.16 54.61 2kcc n GLU 78 Cb 1.01 -3.30 -0.05 0.00 -0.06 0.00 0.00 31.44 29.05 2kcc n GLU 78 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kcc s HIS 79 N 6.01 -0.18 -1.28 4.31 2.46 -1.26 -4.98 115.29 120.37 2kcc s HIS 79 Ca 0.57 0.32 -0.08 0.00 0.47 0.00 0.00 55.06 56.34 2kcc s HIS 79 Cb 0.09 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.66 2kcc s HIS 79 CO 0.07 -0.09 1.10 0.72 -2.47 0.00 0.00 174.74 174.07 2kcc n HIS 80 N 4.25 -2.69 -1.98 3.88 8.25 -1.26 -4.92 115.22 120.74 2kcc n HIS 80 Ca -0.10 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 57.89 2kcc n HIS 80 Cb 0.55 -4.78 -0.03 0.00 1.12 0.00 0.00 29.99 26.86 2kcc n HIS 80 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcc s HIS 81 N -3.30 3.05 -0.18 4.41 -0.00 -1.26 -4.91 115.29 113.10 2kcc s HIS 81 Ca 0.54 0.81 0.15 0.00 -0.00 0.00 0.00 55.06 56.56 2kcc s HIS 81 Cb -0.24 -3.87 -0.22 0.00 -0.00 0.00 0.00 32.58 28.25 2kcc s HIS 81 CO 0.67 -3.06 0.05 -2.39 -0.00 0.00 0.00 174.74 170.01 2kcc n HIS 82 N 3.29 0.00 -3.49 0.38 1.44 -1.26 -4.98 115.22 110.61 2kcc n HIS 82 Ca 0.11 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.51 2kcc n HIS 82 Cb 0.39 -0.87 -0.04 0.00 0.12 0.00 0.00 29.99 29.59 2kcc n HIS 82 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kcc s HIS 83 N -2.43 3.46 -2.22 -1.40 0.00 -1.26 -5.31 115.29 106.13 2kcc s HIS 83 Ca -0.10 0.68 0.30 0.00 -3.00 0.00 0.00 55.06 52.95 2kcc s HIS 83 Cb 0.05 -2.11 1.53 0.00 -4.00 0.00 0.00 32.58 28.05 2kcc s HIS 83 CO 0.72 0.30 2.02 1.58 -1.00 0.00 0.00 174.74 178.35