#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcc n GLU 2 N 0.00 3.26 -3.46 2.12 1.02 -1.26 -4.84 120.64 117.48 2kcc n GLU 2 Ca 0.00 -3.43 -0.23 0.00 -0.02 0.00 0.00 57.16 53.48 2kcc n GLU 2 Cb 0.00 -3.28 -0.12 0.00 -0.02 0.00 0.00 31.44 28.02 2kcc n GLU 2 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2kcc s ASN 3 N 3.40 2.50 0.60 1.62 3.04 -1.26 -5.15 114.94 119.70 2kcc s ASN 3 Ca 0.48 -1.28 -0.10 0.00 0.04 0.00 0.00 52.86 52.01 2kcc s ASN 3 Cb 0.03 0.06 -0.04 0.00 -1.54 0.00 0.00 41.25 39.76 2kcc s ASN 3 CO 0.03 -0.38 0.99 -1.81 -3.04 0.00 0.00 177.10 172.89 2kcc s ASP 4 N 1.95 6.18 0.46 -4.21 1.11 -1.26 -4.98 116.67 115.92 2kcc s ASP 4 Ca 0.11 1.31 0.25 0.00 0.18 0.00 0.00 52.55 54.40 2kcc s ASP 4 Cb -0.16 -2.39 1.03 0.00 1.07 0.00 0.00 42.92 42.46 2kcc s ASP 4 CO -0.26 -0.85 1.88 1.55 1.18 0.00 0.00 175.17 178.67 2kcc h PRO 5 N -0.24 0.00 -0.11 8.23 0.13 -2.02 -2.59 132.00 135.40 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kcc h PRO 5 CO 0.62 0.21 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 2kcc n THR 6 N -3.45 0.14 -3.35 1.56 -2.24 -1.26 -4.84 114.28 100.84 2kcc n THR 6 Ca -0.00 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 2kcc n THR 6 Cb 0.39 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.86 5.18 0.08 2.28 1.01 -0.98 0.11 120.40 126.22 2kcc s VAL 7 Ca 0.33 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 2kcc s VAL 7 Cb 0.17 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 2kcc s VAL 7 CO 0.27 0.24 0.59 -0.22 0.00 0.00 0.00 175.10 175.98 2kcc s LEU 8 N 1.33 4.53 -0.12 3.92 0.20 -0.91 -4.85 118.68 122.77 2kcc s LEU 8 Ca 0.21 1.30 -0.13 0.00 0.69 0.00 0.00 54.13 56.19 2kcc s LEU 8 Cb -0.15 -2.94 0.03 0.00 -0.43 0.00 0.00 46.19 42.71 2kcc s LEU 8 CO 0.08 0.26 0.36 -0.13 -0.29 0.00 0.00 176.35 176.64 2kcc s ARG 9 N -1.06 0.46 0.51 1.98 0.52 -1.26 -2.78 118.95 117.32 2kcc s ARG 9 Ca 0.30 0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 55.72 2kcc s ARG 9 Cb -0.20 0.22 -0.06 0.00 0.52 0.00 0.00 34.95 35.43 2kcc s ARG 9 CO 0.20 -0.07 1.17 0.45 0.02 0.00 0.00 175.30 177.07 2kcc s SER 10 N 0.01 5.86 0.33 0.23 0.15 -0.95 -4.86 113.70 114.47 2kcc s SER 10 Ca -0.02 2.30 0.17 0.00 0.70 0.00 0.00 55.95 59.11 2kcc s SER 10 Cb -0.03 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.13 2kcc s SER 10 CO 0.01 -1.13 1.62 1.55 1.20 0.00 0.00 173.24 176.49 2kcc h PRO 11 N 1.60 0.00 -3.61 5.44 0.13 -1.92 -3.10 132.00 130.54 2kcc h PRO 11 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2kcc h PRO 11 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2kcc h PRO 11 CO 0.58 0.44 -0.04 -1.54 -0.23 0.00 0.00 178.00 177.22 2kcc s SER 12 N -6.45 0.18 0.03 1.44 1.04 -1.26 -4.71 113.70 103.97 2kcc s SER 12 Ca 0.01 -1.09 -0.30 0.00 0.48 0.00 0.00 55.95 55.05 2kcc s SER 12 Cb 0.10 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 2kcc s SER 12 CO 0.71 -1.30 1.13 0.00 0.98 0.00 0.00 173.24 174.77 2kcc s ALA 13 N -3.46 3.34 0.00 5.32 0.00 -1.26 -3.78 121.76 121.92 2kcc s ALA 13 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2kcc s ALA 13 Cb -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2kcc s ALA 13 CO 0.12 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2kcc n GLY 14 N 3.14 4.15 3.63 0.00 0.00 -0.07 -4.87 105.19 111.18 2kcc n GLY 14 Ca 0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 4.51 0.73 -0.67 1.61 2.36 -1.25 -0.90 119.74 126.13 2kcc s LYS 15 Ca 0.00 0.91 -0.26 0.00 -2.55 0.00 0.00 55.97 54.07 2kcc s LYS 15 Cb 0.00 0.33 -0.04 0.00 -1.05 0.00 0.00 37.83 37.08 2kcc s LYS 15 CO 0.00 -0.09 1.98 -1.17 1.55 0.00 0.00 175.35 177.62 2kcc s LEU 16 N 0.49 3.26 0.05 5.43 2.96 -0.69 -1.88 118.68 128.29 2kcc s LEU 16 Ca -0.00 0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.96 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 -0.03 -2.60 1.14 0.00 -1.32 0.00 0.00 176.35 173.54 2kcc h THR 17 N 7.11 1.33 -0.70 3.68 1.03 -1.86 -3.28 112.91 120.21 2kcc h THR 17 Ca -0.17 -2.26 0.00 0.00 -0.01 0.00 0.00 66.41 63.98 2kcc h THR 17 Cb 1.14 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.75 2kcc h THR 17 CO 1.20 0.68 0.00 1.67 -0.01 0.00 0.00 175.52 179.06 2kcc n GLN 18 N -3.95 0.00 -3.75 0.00 7.27 -1.25 -4.97 117.38 110.73 2kcc n GLN 18 Ca -0.12 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.82 2kcc n GLN 18 Cb 0.85 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.39 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 -2.79 -0.36 -0.58 3.69 -0.85 -1.26 -3.33 117.35 111.86 2kcc s TYR 19 Ca 0.00 0.87 0.22 0.00 -0.52 0.00 0.00 57.07 57.65 2kcc s TYR 19 Cb 0.00 0.13 -0.08 0.00 0.38 0.00 0.00 41.96 42.39 2kcc s TYR 19 CO 0.00 -0.20 0.90 0.25 -1.52 0.00 0.00 175.55 174.98 2kcc n THR 20 N 2.76 0.11 -3.76 -3.49 -2.24 -1.15 -4.93 114.28 101.57 2kcc n THR 20 Ca -0.14 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2kcc n THR 20 Cb 0.57 0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.22 0.04 1.17 2.28 -7.23 -1.21 -4.97 120.40 107.27 2kcc s VAL 21 Ca 0.02 -0.33 -0.20 0.00 -1.81 0.00 0.00 61.98 59.67 2kcc s VAL 21 Cb 0.15 -0.56 0.29 0.00 0.56 0.00 0.00 36.38 36.82 2kcc s VAL 21 CO 0.84 -0.18 0.97 -1.84 -0.31 0.00 0.00 175.10 174.58 2kcc n GLU 22 N 1.79 -3.24 -1.74 4.82 0.00 -1.26 -4.82 120.64 116.19 2kcc n GLU 22 Ca -0.19 -1.57 -0.42 0.00 0.00 0.00 0.00 57.16 54.99 2kcc n GLU 22 Cb 0.56 -1.54 -0.02 0.00 0.00 0.00 0.00 31.44 30.44 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2kcc n ASP 23 N -4.86 3.95 -1.37 -1.84 5.75 -1.26 -1.84 116.55 115.08 2kcc n ASP 23 Ca 0.14 1.13 -0.13 0.00 -0.01 0.00 0.00 54.79 55.92 2kcc n ASP 23 Cb 0.54 -1.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.02 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kcc n GLY 24 N 2.57 0.10 3.61 6.12 0.00 0.31 -4.93 105.19 112.97 2kcc n GLY 24 Ca 0.10 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.50 0.96 -0.03 -0.02 0.00 -0.69 -4.49 107.32 100.54 2kcc s GLY 25 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 2kcc s GLY 25 CO 0.00 3.20 1.87 -2.38 0.00 0.00 0.00 173.10 175.80 2kcc s HIS 26 N 6.25 1.53 -0.08 1.90 -3.43 -1.26 -1.99 115.29 118.20 2kcc s HIS 26 Ca 0.78 -0.12 -0.09 0.00 -0.80 0.00 0.00 55.06 54.83 2kcc s HIS 26 Cb -0.25 -4.10 0.02 0.00 -1.43 0.00 0.00 32.58 26.82 2kcc s HIS 26 CO 0.33 -4.77 0.25 0.14 -2.00 0.00 0.00 174.74 168.69 2kcc s VAL 27 N 4.72 0.01 0.55 -5.38 -7.23 -0.91 -4.97 120.40 107.20 2kcc s VAL 27 Ca 0.84 -0.07 -0.07 0.00 -1.81 0.00 0.00 61.98 60.86 2kcc s VAL 27 Cb -0.38 -0.38 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 2kcc s VAL 27 CO 0.37 -0.04 0.89 -1.83 -0.31 0.00 0.00 175.10 174.17 2kcc s GLU 28 N -0.05 3.34 0.03 4.82 -1.05 -1.26 -2.30 118.70 122.23 2kcc s GLU 28 Ca -0.02 0.28 -0.37 0.00 -0.15 0.00 0.00 54.97 54.71 2kcc s GLU 28 Cb -0.02 -2.26 -0.17 0.00 -0.44 0.00 0.00 34.13 31.24 2kcc s GLU 28 CO 0.01 -0.47 1.41 0.00 0.95 0.00 0.00 175.26 177.15 2kcc n ALA 29 N -2.50 -0.83 0.00 -0.84 0.00 -1.19 -0.76 120.51 114.38 2kcc n ALA 29 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2kcc n ALA 29 Cb 0.56 -2.10 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 2.80 3.26 3.71 0.00 0.00 -0.22 -4.92 105.19 109.82 2kcc n GLY 30 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.09 6.95 0.23 1.61 0.15 0.06 -4.73 113.70 117.87 2kcc s SER 31 Ca 0.00 2.16 -0.30 0.00 0.70 0.00 0.00 55.95 58.51 2kcc s SER 31 Cb 0.00 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2kcc s SER 31 CO 0.00 -0.57 1.38 -0.44 1.20 0.00 0.00 173.24 174.81 2kcc s SER 32 N 1.15 6.76 -0.00 5.45 0.01 -1.26 -2.60 113.70 123.20 2kcc s SER 32 Ca 0.62 2.55 0.07 0.00 1.31 0.00 0.00 55.95 60.51 2kcc s SER 32 Cb -0.33 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.19 2kcc s SER 32 CO 0.29 -0.62 0.25 0.00 0.41 0.00 0.00 173.24 173.57 2kcc n TYR 33 N 2.44 0.00 -3.59 2.43 0.18 0.29 -4.75 117.16 114.15 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 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 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 -1.42 0.00 -2.64 -3.48 0.00 -0.67 -2.95 120.51 109.36 2kcc n ALA 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2kcc n ALA 34 Cb 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.94 1.06 -0.17 0.00 2.02 -1.21 0.87 118.70 119.33 2kcc s GLU 35 Ca 0.00 -1.14 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 2kcc s GLU 35 Cb 0.00 0.36 0.06 0.00 0.10 0.00 0.00 34.13 34.65 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 -3.95 0.38 -0.47 1.61 0.23 -0.59 -2.84 119.30 113.68 2kcc s MET 36 Ca 0.15 0.82 -0.21 0.00 -1.03 0.00 0.00 55.69 55.41 2kcc s MET 36 Cb 0.04 0.01 0.03 0.00 -1.53 0.00 0.00 34.83 33.39 2kcc s MET 36 CO -0.03 -0.17 0.69 -2.00 -2.03 0.00 0.00 175.02 171.48 2kcc s GLU 37 N 1.54 3.26 0.59 3.16 2.12 -0.79 -2.19 118.70 126.40 2kcc s GLU 37 Ca -0.09 -0.45 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 2kcc s GLU 37 Cb -0.09 -4.00 0.04 0.00 0.26 0.00 0.00 34.13 30.35 2kcc s GLU 37 CO -0.13 -1.13 0.83 0.08 -0.54 0.00 0.00 175.26 174.38 2kcc s VAL 38 N 2.96 2.56 0.55 3.70 1.01 -0.85 -3.91 120.40 126.42 2kcc s VAL 38 Ca 0.23 -0.59 0.23 0.00 0.00 0.00 0.00 61.98 61.84 2kcc s VAL 38 Cb -0.15 -2.97 0.33 0.00 0.00 0.00 0.00 36.38 33.59 2kcc s VAL 38 CO 0.18 0.00 2.11 0.24 0.00 0.00 0.00 175.10 177.63 2kcc h MET 39 N -0.08 0.00 0.00 2.72 0.00 -1.97 -3.22 114.93 112.38 2kcc h MET 39 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.28 2kcc h MET 39 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.90 2kcc h MET 39 CO 0.53 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.07 2kcc n LYS 40 N -4.25 0.00 -2.75 1.72 4.76 -1.26 -5.07 118.16 111.32 2kcc n LYS 40 Ca 0.01 0.31 -0.07 0.00 -2.87 0.00 0.00 58.31 55.70 2kcc n LYS 40 Cb 0.27 -0.87 -0.01 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.44 0.45 -2.93 1.97 2.81 -1.22 -5.16 117.12 111.60 2kcc n MET 41 Ca 0.00 -1.41 -0.33 0.00 -1.81 0.00 0.00 57.70 54.15 2kcc n MET 41 Cb 0.00 1.46 -0.07 0.00 -0.71 0.00 0.00 33.22 33.90 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 -2.61 4.48 0.16 2.02 1.10 -1.26 -2.01 121.20 123.08 2kcc s ILE 42 Ca 0.14 1.33 -0.06 0.00 -0.51 0.00 0.00 60.65 61.54 2kcc s ILE 42 Cb -0.01 -3.65 -0.02 0.00 0.15 0.00 0.00 42.46 38.93 2kcc s ILE 42 CO 0.10 -0.22 0.22 -0.04 -2.11 0.00 0.00 174.94 172.89 2kcc s MET 43 N -2.97 1.10 -0.10 3.50 -1.94 -0.93 -4.95 119.30 113.00 2kcc s MET 43 Ca 0.58 -1.27 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 2kcc s MET 43 Cb -0.10 0.34 -0.00 0.00 2.01 0.00 0.00 34.83 37.07 2kcc s MET 43 CO 0.16 -0.38 -0.23 0.99 -0.01 0.00 0.00 175.02 175.54 2kcc s THR 44 N -4.00 2.12 -0.06 2.05 2.01 -1.26 -1.54 115.64 114.96 2kcc s THR 44 Ca 0.20 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 2kcc s THR 44 Cb 0.05 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2kcc s THR 44 CO 0.01 0.56 0.44 -0.76 -0.69 0.00 0.00 174.62 174.18 2kcc s LEU 45 N 0.31 4.36 0.39 4.42 1.43 0.25 -4.92 118.68 124.93 2kcc s LEU 45 Ca -0.18 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 2kcc s LEU 45 Cb -0.18 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2kcc s LEU 45 CO 0.09 0.15 0.13 0.54 0.23 0.00 0.00 176.35 177.48 2kcc s ASN 46 N -0.13 2.58 0.19 2.29 2.20 -1.26 0.11 114.94 120.91 2kcc s ASN 46 Ca 0.25 -1.64 -0.07 0.00 -0.94 0.00 0.00 52.86 50.45 2kcc s ASN 46 Cb -0.16 0.45 -0.06 0.00 -2.00 0.00 0.00 41.25 39.48 2kcc s ASN 46 CO 0.12 -0.91 0.46 0.68 -2.94 0.00 0.00 177.10 174.51 2kcc s VAL 47 N -3.27 5.05 -0.82 3.54 -7.23 -1.07 -4.83 120.40 111.77 2kcc s VAL 47 Ca 0.27 0.25 0.26 0.00 -1.81 0.00 0.00 61.98 60.95 2kcc s VAL 47 Cb 0.03 -3.62 0.11 0.00 0.56 0.00 0.00 36.38 33.46 2kcc s VAL 47 CO 0.15 -0.02 1.53 0.00 -0.31 0.00 0.00 175.10 176.46 2kcc n GLN 48 N -0.03 0.15 -3.95 4.82 0.00 -1.26 -1.05 117.38 116.05 2kcc n GLN 48 Ca -0.01 0.07 -0.09 0.00 0.00 0.00 0.00 57.00 56.97 2kcc n GLN 48 Cb 0.52 -1.62 -0.04 0.00 0.00 0.00 0.00 30.24 29.10 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 1.65 0.19 2.61 2.02 -1.26 -4.77 118.70 116.07 2kcc s GLU 49 Ca 0.10 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 2kcc s GLU 49 Cb 0.15 0.52 -0.09 0.00 0.10 0.00 0.00 34.13 34.81 2kcc s GLU 49 CO 0.66 -0.71 1.36 1.03 0.02 0.00 0.00 175.26 177.61 2kcc s ARG 50 N -3.91 4.35 0.00 1.61 3.00 -1.26 -3.19 118.95 119.55 2kcc s ARG 50 Ca 0.19 2.12 0.00 0.00 0.00 0.00 0.00 55.73 58.04 2kcc s ARG 50 Cb -0.02 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.74 2kcc s ARG 50 CO 0.09 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.47 2kcc n GLY 51 N 2.58 -0.34 3.73 -3.53 0.00 -0.97 -4.03 105.19 102.63 2kcc n GLY 51 Ca 0.07 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 4.28 -0.18 1.61 0.52 -0.77 -2.14 118.95 120.27 2kcc s ARG 52 Ca 0.00 0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 55.27 2kcc s ARG 52 Cb 0.00 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 2kcc s ARG 52 CO 0.00 0.23 0.86 0.08 0.02 0.00 0.00 175.30 176.49 2kcc s VAL 53 N 0.43 4.85 -0.30 3.52 1.01 -0.84 -1.63 120.40 127.44 2kcc s VAL 53 Ca 0.22 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 2kcc s VAL 53 Cb -0.14 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2kcc s VAL 53 CO 0.08 -0.00 0.00 -0.54 0.00 0.00 0.00 175.10 174.64 2kcc s LYS 54 N 2.32 2.32 0.16 2.72 1.02 0.28 0.11 119.74 128.68 2kcc s LYS 54 Ca 0.39 -1.35 -0.33 0.00 0.02 0.00 0.00 55.97 54.70 2kcc s LYS 54 Cb -0.16 -3.17 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 2kcc s LYS 54 CO 0.11 -0.66 1.70 0.66 -0.92 0.00 0.00 175.35 176.24 2kcc n TYR 55 N 4.57 2.54 -0.08 3.18 4.02 -1.26 0.05 117.16 130.18 2kcc n TYR 55 Ca -0.12 0.09 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 2kcc n TYR 55 Cb 0.43 -2.64 -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 3.95 1.27 -1.31 -0.72 -0.00 -1.21 -4.89 119.36 116.45 2kcc n ILE 56 Ca 0.17 -0.06 -0.29 0.00 -0.00 0.00 0.00 62.75 62.57 2kcc n ILE 56 Cb 0.33 -1.95 0.18 0.00 -0.00 0.00 0.00 39.64 38.19 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 -2.52 0.29 0.42 0.38 -0.14 -1.25 -5.04 119.74 111.87 2kcc s LYS 57 Ca -0.25 0.26 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 2kcc s LYS 57 Cb 0.07 -1.74 -0.02 0.00 -1.68 0.00 0.00 37.83 34.46 2kcc s LYS 57 CO 0.34 -2.77 0.64 1.03 -0.76 0.00 0.00 175.35 173.84 2kcc s ARG 58 N -5.21 3.30 0.14 1.68 3.00 -1.26 -5.04 118.95 115.55 2kcc s ARG 58 Ca 0.67 -0.32 -0.31 0.00 0.00 0.00 0.00 55.73 55.77 2kcc s ARG 58 Cb -0.15 -2.57 -0.09 0.00 0.00 0.00 0.00 34.95 32.15 2kcc s ARG 58 CO 0.56 -0.10 1.43 -1.25 0.00 0.00 0.00 175.30 175.94 2kcc s PRO 59 N -4.50 4.30 0.00 3.54 0.04 -1.26 -2.41 135.00 134.71 2kcc s PRO 59 Ca 0.45 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2kcc s PRO 59 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2kcc s PRO 59 CO 0.38 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2kcc n GLY 60 N 3.44 2.41 3.67 0.56 0.00 -1.24 -5.02 105.19 109.00 2kcc n GLY 60 Ca 0.12 0.00 -0.39 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 -0.90 0.75 -2.63 4.61 0.00 -1.01 -4.38 120.51 116.96 2kcc n ALA 61 Ca 0.00 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2kcc n ALA 61 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 2kcc n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kcc s VAL 62 N -1.36 4.64 0.41 0.00 -7.23 -1.26 -1.70 120.40 113.89 2kcc s VAL 62 Ca 0.71 1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 62.63 2kcc s VAL 62 Cb -0.45 -4.22 -0.08 0.00 0.56 0.00 0.00 36.38 32.19 2kcc s VAL 62 CO 0.51 0.14 0.84 -0.76 -0.31 0.00 0.00 175.10 175.51 2kcc s LEU 63 N 1.11 3.86 0.04 1.32 2.01 -0.08 -4.90 118.68 122.05 2kcc s LEU 63 Ca 0.54 1.37 0.03 0.00 0.01 0.00 0.00 54.13 56.08 2kcc s LEU 63 Cb -0.23 -4.24 -0.02 0.00 0.01 0.00 0.00 46.19 41.71 2kcc s LEU 63 CO 0.28 -0.39 -0.10 -1.61 1.01 0.00 0.00 176.35 175.54 2kcc s GLU 64 N -3.56 0.64 -0.67 1.70 0.41 -1.26 -0.89 118.70 115.06 2kcc s GLU 64 Ca 0.56 -0.72 -0.26 0.00 -0.41 0.00 0.00 54.97 54.14 2kcc s GLU 64 Cb -0.10 -0.52 -0.10 0.00 -1.78 0.00 0.00 34.13 31.64 2kcc s GLU 64 CO 0.25 0.11 2.34 0.00 -0.49 0.00 0.00 175.26 177.47 2kcc s ALA 65 N -1.10 1.21 0.00 5.21 0.00 -1.25 -0.93 121.76 124.90 2kcc s ALA 65 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2kcc s ALA 65 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2kcc s ALA 65 CO 0.01 -5.17 0.00 0.41 0.00 0.00 0.00 175.76 171.01 2kcc n GLY 66 N 6.44 1.78 3.76 0.00 0.00 -1.17 -4.91 105.19 111.08 2kcc n GLY 66 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.48 4.30 -0.05 0.00 1.01 -1.26 -2.25 120.40 120.67 2kcc s VAL 68 Ca 0.72 1.09 0.12 0.00 0.00 0.00 0.00 61.98 63.92 2kcc s VAL 68 Cb -0.33 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.42 2kcc s VAL 68 CO 0.38 -0.94 1.26 0.58 0.00 0.00 0.00 175.10 176.38 2kcc h VAL 69 N 6.17 1.12 -1.25 2.92 2.07 -1.85 -3.38 116.25 122.06 2kcc h VAL 69 Ca -0.23 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.64 2kcc h VAL 69 Cb 1.06 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2kcc h VAL 69 CO 1.09 0.64 0.00 0.00 0.02 0.00 0.00 177.57 179.32 2kcc n ALA 70 N -2.31 0.00 -2.92 1.67 0.00 -1.23 -3.33 120.51 112.39 2kcc n ALA 70 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2kcc n ALA 70 Cb 0.84 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.55 0.05 0.39 0.00 1.81 0.11 -2.13 118.95 118.62 2kcc s ARG 71 Ca 0.00 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.07 2kcc s ARG 71 Cb 0.00 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 34.51 2kcc s ARG 71 CO 0.00 -0.01 0.59 -0.51 -0.68 0.00 0.00 175.30 174.69 2kcc s LEU 72 N -0.01 3.86 -0.37 2.53 2.01 0.31 0.10 118.68 127.11 2kcc s LEU 72 Ca -0.00 0.30 0.02 0.00 0.01 0.00 0.00 54.13 54.45 2kcc s LEU 72 Cb -0.00 -3.17 0.15 0.00 0.01 0.00 0.00 46.19 43.17 2kcc s LEU 72 CO 0.00 -0.48 0.29 -0.70 1.01 0.00 0.00 176.35 176.47 2kcc s GLU 73 N -4.39 0.63 0.19 1.70 -6.30 -0.65 -4.78 118.70 105.11 2kcc s GLU 73 Ca 0.44 -1.31 -0.10 0.00 -2.50 0.00 0.00 54.97 51.50 2kcc s GLU 73 Cb -0.10 -1.13 0.11 0.00 0.00 0.00 0.00 34.13 33.02 2kcc s GLU 73 CO 0.36 -1.24 1.76 -0.07 0.02 0.00 0.00 175.26 176.10 2kcc h LEU 74 N 6.78 0.92 -2.81 2.70 -0.00 -1.90 -2.04 115.31 118.96 2kcc h LEU 74 Ca 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2kcc h LEU 74 Cb 0.99 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2kcc h LEU 74 CO 0.25 0.82 0.00 -0.67 -0.00 0.00 0.00 178.44 178.84 2kcc n ASP 75 N -4.41 -1.93 -4.73 -0.43 -0.08 -1.26 -4.79 116.55 98.91 2kcc n ASP 75 Ca 0.05 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.92 2kcc n ASP 75 Cb 0.15 -0.48 -0.04 0.00 2.34 0.00 0.00 41.12 43.09 2kcc n ASP 75 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kcc s ASP 76 N -2.96 7.35 -0.34 1.67 -1.08 -1.26 -4.94 116.67 115.10 2kcc s ASP 76 Ca 0.00 1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 53.90 2kcc s ASP 76 Cb 0.00 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2kcc s ASP 76 CO 0.00 -0.19 3.04 -0.11 0.52 0.00 0.00 175.17 178.43 2kcc n LEU 77 N 2.88 6.14 -1.72 -1.34 0.00 -1.26 -4.65 117.00 117.05 2kcc n LEU 77 Ca 0.04 -3.81 -0.01 0.00 0.00 0.00 0.00 56.01 52.23 2kcc n LEU 77 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.60 2kcc n LEU 77 CO 0.53 1.73 0.03 1.21 0.00 0.00 0.00 177.39 180.89 2kcc n GLU 78 N 1.44 -0.23 -1.76 1.96 2.13 -1.26 -5.02 120.64 117.89 2kcc n GLU 78 Ca 0.48 0.42 -0.00 0.00 0.66 0.00 0.00 57.16 58.71 2kcc n GLU 78 Cb 0.66 -2.08 0.02 0.00 0.27 0.00 0.00 31.44 30.30 2kcc n GLU 78 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kcc n HIS 79 N -1.37 0.03 -4.47 4.31 -0.00 -1.26 -5.12 115.22 107.34 2kcc n HIS 79 Ca -0.00 -0.95 -0.23 0.00 0.46 0.00 0.00 57.72 57.00 2kcc n HIS 79 Cb 0.51 0.17 -0.10 0.00 -0.12 0.00 0.00 29.99 30.45 2kcc n HIS 79 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kcc s HIS 80 N -0.73 1.87 -0.08 1.57 -3.43 -1.26 -5.09 115.29 108.14 2kcc s HIS 80 Ca 0.22 -1.08 -0.03 0.00 -0.80 0.00 0.00 55.06 53.36 2kcc s HIS 80 Cb 0.29 -1.22 -0.02 0.00 -1.43 0.00 0.00 32.58 30.20 2kcc s HIS 80 CO -0.10 -0.11 0.15 0.45 -2.00 0.00 0.00 174.74 173.13 2kcc h HIS 81 N 2.02 -0.11 -3.88 0.38 -0.00 -2.06 -3.48 115.15 108.02 2kcc h HIS 81 Ca -0.39 -0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 59.67 2kcc h HIS 81 Cb 1.26 0.04 -0.20 0.00 -0.00 0.00 0.00 27.41 28.51 2kcc h HIS 81 CO 0.88 -0.07 -0.74 -1.01 -0.00 0.00 0.00 177.93 176.99 2kcc s HIS 82 N -1.91 0.90 -0.07 2.45 0.09 -1.26 -5.05 115.29 110.45 2kcc s HIS 82 Ca -0.02 -0.58 0.15 0.00 -0.00 0.00 0.00 55.06 54.61 2kcc s HIS 82 Cb 0.00 -0.52 -0.22 0.00 -0.00 0.00 0.00 32.58 31.84 2kcc s HIS 82 CO 0.05 -0.04 0.24 1.58 -0.00 0.00 0.00 174.74 176.57 2kcc n HIS 83 N 1.02 0.00 1.62 1.40 -0.00 -1.26 -5.17 115.22 112.82 2kcc n HIS 83 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.67 2kcc n HIS 83 Cb 0.56 -0.51 0.62 0.00 -0.00 0.00 0.00 29.99 30.67 2kcc n HIS 83 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06