#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 2.53 -0.19 0.03 -6.30 -1.26 -5.07 118.70 108.44 2kcc s GLU 2 Ca 0.00 -1.17 -0.04 0.00 -2.50 0.00 0.00 54.97 51.26 2kcc s GLU 2 Cb 0.00 -2.90 0.08 0.00 0.00 0.00 0.00 34.13 31.32 2kcc s GLU 2 CO 0.00 -0.48 0.19 1.21 0.02 0.00 0.00 175.26 176.21 2kcc s ASN 3 N 1.20 1.48 0.51 -1.70 2.47 -1.26 -5.15 114.94 112.49 2kcc s ASN 3 Ca -0.04 -0.23 -0.14 0.00 0.42 0.00 0.00 52.86 52.87 2kcc s ASN 3 Cb -0.18 0.27 -0.07 0.00 -1.45 0.00 0.00 41.25 39.82 2kcc s ASN 3 CO -0.06 -0.32 0.95 -1.81 -3.72 0.00 0.00 177.10 172.14 2kcc s ASP 4 N 2.29 6.54 0.51 -4.21 1.11 -1.26 -4.97 116.67 116.68 2kcc s ASP 4 Ca 0.06 1.45 0.27 0.00 0.18 0.00 0.00 52.55 54.51 2kcc s ASP 4 Cb -0.15 -2.46 1.37 0.00 1.07 0.00 0.00 42.92 42.74 2kcc s ASP 4 CO -0.11 -0.60 2.04 1.55 1.18 0.00 0.00 175.17 179.23 2kcc h PRO 5 N 0.78 0.00 -1.63 8.23 0.13 -2.01 -3.00 132.00 134.50 2kcc h PRO 5 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 2kcc h PRO 5 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2kcc h PRO 5 CO 0.62 0.14 0.42 0.25 -0.23 0.00 0.00 178.00 179.20 2kcc n THR 6 N -3.62 2.97 -3.67 1.56 -2.24 -1.26 -4.78 114.28 103.24 2kcc n THR 6 Ca -0.02 -2.08 -0.12 0.00 -2.27 0.00 0.00 64.05 59.57 2kcc n THR 6 Cb 0.26 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 66.97 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 -2.37 -0.39 0.09 2.28 1.01 -1.14 -3.11 120.40 116.78 2kcc s VAL 7 Ca 0.41 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2kcc s VAL 7 Cb 0.29 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 2kcc s VAL 7 CO -0.06 0.09 0.59 -0.22 0.00 0.00 0.00 175.10 175.50 2kcc s LEU 8 N 2.22 4.52 -0.14 3.92 1.98 -0.58 -4.82 118.68 125.77 2kcc s LEU 8 Ca -0.02 1.29 -0.11 0.00 -2.89 0.00 0.00 54.13 52.40 2kcc s LEU 8 Cb -0.11 -2.97 0.04 0.00 0.66 0.00 0.00 46.19 43.81 2kcc s LEU 8 CO -0.10 0.25 0.37 -0.13 -1.89 0.00 0.00 176.35 174.85 2kcc s ARG 9 N -1.19 0.40 0.43 1.98 0.52 -1.26 -2.41 118.95 117.43 2kcc s ARG 9 Ca 0.30 0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 55.86 2kcc s ARG 9 Cb -0.19 0.11 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 2kcc s ARG 9 CO 0.20 -0.09 1.21 -1.54 0.02 0.00 0.00 175.30 175.10 2kcc s SER 10 N 0.63 6.26 0.35 0.23 1.04 -0.20 -4.86 113.70 117.15 2kcc s SER 10 Ca -0.04 2.43 0.18 0.00 0.48 0.00 0.00 55.95 59.01 2kcc s SER 10 Cb -0.05 -2.62 0.56 0.00 0.10 0.00 0.00 66.02 64.02 2kcc s SER 10 CO -0.04 -0.87 1.68 1.55 0.98 0.00 0.00 173.24 176.54 2kcc h PRO 11 N 2.36 0.00 -3.70 4.02 0.13 -1.91 -1.35 132.00 131.54 2kcc h PRO 11 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 2kcc h PRO 11 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2kcc h PRO 11 CO 0.61 0.41 0.00 -1.54 -0.23 0.00 0.00 178.00 177.25 2kcc s SER 12 N -6.44 0.66 -0.30 1.44 1.04 -1.26 -4.53 113.70 104.31 2kcc s SER 12 Ca 0.01 -1.42 -0.29 0.00 0.48 0.00 0.00 55.95 54.73 2kcc s SER 12 Cb 0.10 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.98 2kcc s SER 12 CO 0.70 -1.50 1.29 0.00 0.98 0.00 0.00 173.24 174.72 2kcc s ALA 13 N -2.59 3.37 -0.10 5.32 0.00 -1.26 -3.64 121.76 122.86 2kcc s ALA 13 Ca 0.25 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 2kcc s ALA 13 Cb -0.02 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.35 2kcc s ALA 13 CO 0.18 -1.77 0.25 0.20 0.00 0.00 0.00 175.76 174.62 2kcc s GLY 14 N 2.76 -0.17 0.26 0.00 0.00 -0.86 -4.82 107.32 104.49 2kcc s GLY 14 Ca 0.56 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.78 2kcc s GLY 14 CO 0.23 0.81 1.06 1.25 0.00 0.00 0.00 173.10 176.45 2kcc s LYS 15 N 0.49 4.68 -0.71 2.90 2.36 -1.21 0.43 119.74 128.68 2kcc s LYS 15 Ca -0.03 1.73 -0.26 0.00 -2.55 0.00 0.00 55.97 54.86 2kcc s LYS 15 Cb -0.04 -3.22 -0.06 0.00 -1.05 0.00 0.00 37.83 33.46 2kcc s LYS 15 CO -0.03 0.26 2.07 -1.17 1.55 0.00 0.00 175.35 178.04 2kcc s LEU 16 N -1.25 3.20 0.03 5.43 2.96 -0.82 -1.22 118.68 127.02 2kcc s LEU 16 Ca 0.44 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.27 2kcc s LEU 16 Cb -0.30 -2.54 -0.22 0.00 0.50 0.00 0.00 46.19 43.63 2kcc s LEU 16 CO 0.38 -2.82 1.15 0.00 -1.32 0.00 0.00 176.35 173.75 2kcc h THR 17 N 7.27 1.37 -0.96 3.68 1.03 -1.88 -3.26 112.91 120.17 2kcc h THR 17 Ca -0.10 -2.07 0.00 0.00 -0.01 0.00 0.00 66.41 64.22 2kcc h THR 17 Cb 1.11 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 2kcc h THR 17 CO 1.17 0.62 0.00 1.67 -0.01 0.00 0.00 175.52 178.97 2kcc n GLN 18 N -4.12 0.00 -3.75 0.00 -0.06 -1.25 -4.97 117.38 103.23 2kcc n GLN 18 Ca -0.10 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.77 2kcc n GLN 18 Cb 0.72 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.80 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 2kcc s TYR 19 N -3.81 -0.34 -0.75 3.69 -0.85 -1.26 -3.17 117.35 110.85 2kcc s TYR 19 Ca 0.00 0.78 0.23 0.00 -0.52 0.00 0.00 57.07 57.56 2kcc s TYR 19 Cb 0.00 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.49 2kcc s TYR 19 CO 0.00 -0.25 1.02 0.25 -1.52 0.00 0.00 175.55 175.05 2kcc n THR 20 N 2.42 0.08 -3.75 -3.49 -2.24 -1.01 -4.91 114.28 101.38 2kcc n THR 20 Ca -0.15 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2kcc n THR 20 Cb 0.57 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.13 0.01 0.79 2.28 -7.23 -1.18 -4.96 120.40 107.00 2kcc s VAL 21 Ca 0.05 -0.12 -0.13 0.00 -1.81 0.00 0.00 61.98 59.97 2kcc s VAL 21 Cb 0.15 -0.52 0.20 0.00 0.56 0.00 0.00 36.38 36.77 2kcc s VAL 21 CO 0.81 -0.06 0.66 -1.84 -0.31 0.00 0.00 175.10 174.35 2kcc n GLU 22 N 2.49 -2.60 -1.70 4.82 0.28 -1.26 -4.77 120.64 117.90 2kcc n GLU 22 Ca -0.15 -1.06 -0.42 0.00 -0.16 0.00 0.00 57.16 55.36 2kcc n GLU 22 Cb 0.57 -1.05 -0.03 0.00 1.43 0.00 0.00 31.44 32.36 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kcc n ASP 23 N -4.27 4.02 -0.72 -1.84 8.00 -1.26 -1.46 116.55 119.02 2kcc n ASP 23 Ca 0.09 1.01 -0.07 0.00 0.71 0.00 0.00 54.79 56.54 2kcc n ASP 23 Cb 0.37 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.12 39.90 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcc n GLY 24 N 4.13 0.43 3.62 0.44 0.00 0.27 -4.95 105.19 109.13 2kcc n GLY 24 Ca 0.17 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.78 1.00 0.02 -0.02 0.00 -0.54 -4.43 107.32 100.59 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 3.24 1.85 -2.38 0.00 0.00 0.00 173.10 175.81 2kcc s HIS 26 N 6.10 1.61 -0.08 1.90 -3.43 -1.26 -2.45 115.29 117.68 2kcc s HIS 26 Ca 0.79 -0.21 -0.07 0.00 -0.80 0.00 0.00 55.06 54.78 2kcc s HIS 26 Cb -0.27 -4.14 0.02 0.00 -1.43 0.00 0.00 32.58 26.77 2kcc s HIS 26 CO 0.33 -4.96 0.20 0.14 -2.00 0.00 0.00 174.74 168.44 2kcc s VAL 27 N 4.09 -0.01 0.53 -5.38 -7.23 -0.88 -4.97 120.40 106.55 2kcc s VAL 27 Ca 0.83 0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.94 2kcc s VAL 27 Cb -0.40 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2kcc s VAL 27 CO 0.37 0.01 0.88 -1.83 -0.31 0.00 0.00 175.10 174.23 2kcc s GLU 28 N 0.29 3.60 0.08 4.82 -1.05 -1.26 -2.68 118.70 122.50 2kcc s GLU 28 Ca -0.01 0.45 -0.37 0.00 -0.15 0.00 0.00 54.97 54.89 2kcc s GLU 28 Cb -0.03 -2.26 -0.17 0.00 -0.44 0.00 0.00 34.13 31.23 2kcc s GLU 28 CO -0.01 -0.33 1.33 0.00 0.95 0.00 0.00 175.26 177.21 2kcc n ALA 29 N -2.33 -1.04 0.00 -0.84 0.00 -1.24 -0.60 120.51 114.45 2kcc n ALA 29 Ca 0.03 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kcc n ALA 29 Cb 0.55 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 2.50 3.12 3.72 0.00 0.00 -0.13 -4.95 105.19 109.45 2kcc n GLY 30 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 0.07 6.97 0.36 1.61 0.15 0.23 -4.72 113.70 118.36 2kcc s SER 31 Ca 0.00 2.18 -0.28 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 61.63 2kcc s SER 31 CO 0.00 -0.54 1.30 -0.94 1.20 0.00 0.00 173.24 174.26 2kcc s SER 32 N 0.95 6.64 0.00 5.45 1.04 -1.26 -2.78 113.70 123.74 2kcc s SER 32 Ca 0.60 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.69 2kcc s SER 32 Cb -0.33 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.15 2kcc s SER 32 CO 0.31 -0.62 0.00 0.00 0.98 0.00 0.00 173.24 173.90 2kcc n TYR 33 N 0.57 0.00 -3.72 5.02 0.18 0.22 -4.80 117.16 114.64 2kcc n TYR 33 Ca 0.01 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.79 2kcc n TYR 33 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 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 -1.08 -0.88 -2.71 -3.48 0.00 -1.20 -2.40 120.51 108.76 2kcc n ALA 34 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2kcc n ALA 34 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.01 1.13 -0.16 0.00 2.02 -1.19 0.01 118.70 118.51 2kcc s GLU 35 Ca 0.07 -1.15 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 2kcc s GLU 35 Cb -0.01 0.38 0.06 0.00 0.10 0.00 0.00 34.13 34.66 2kcc s GLU 35 CO 0.01 -0.41 0.37 0.00 0.02 0.00 0.00 175.26 175.24 2kcc s MET 36 N -3.96 0.33 -0.49 1.61 0.23 0.41 -3.12 119.30 114.32 2kcc s MET 36 Ca 0.16 0.77 -0.22 0.00 -1.03 0.00 0.00 55.69 55.37 2kcc s MET 36 Cb 0.03 0.01 0.04 0.00 -1.53 0.00 0.00 34.83 33.38 2kcc s MET 36 CO -0.01 -0.18 0.75 -2.00 -2.03 0.00 0.00 175.02 171.54 2kcc s GLU 37 N 1.63 3.28 0.60 3.16 2.12 -0.35 -1.85 118.70 127.29 2kcc s GLU 37 Ca -0.08 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2kcc s GLU 37 Cb -0.10 -4.01 0.05 0.00 0.26 0.00 0.00 34.13 30.34 2kcc s GLU 37 CO -0.12 -1.20 0.84 0.08 -0.54 0.00 0.00 175.26 174.32 2kcc s VAL 38 N 3.16 2.53 0.54 3.70 1.01 -0.70 -3.30 120.40 127.34 2kcc s VAL 38 Ca 0.24 -0.61 0.22 0.00 0.00 0.00 0.00 61.98 61.84 2kcc s VAL 38 Cb -0.14 -2.92 0.32 0.00 0.00 0.00 0.00 36.38 33.64 2kcc s VAL 38 CO 0.18 0.00 2.12 0.24 0.00 0.00 0.00 175.10 177.65 2kcc h MET 39 N -0.11 0.00 0.00 2.72 0.00 -1.97 -3.23 114.93 112.35 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 0.51 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.05 2kcc n LYS 40 N -4.28 0.00 -1.17 1.72 4.76 -1.26 -5.07 118.16 112.86 2kcc n LYS 40 Ca 0.00 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2kcc n LYS 40 Cb 0.24 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 0.00 -2.91 1.97 2.81 -1.22 -5.16 117.12 111.16 2kcc n MET 41 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 2kcc n MET 41 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 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 -2.52 4.51 0.03 2.02 1.10 -1.26 -1.72 121.20 123.36 2kcc s ILE 42 Ca 0.00 1.25 -0.07 0.00 -0.51 0.00 0.00 60.65 61.33 2kcc s ILE 42 Cb 0.00 -3.61 -0.00 0.00 0.15 0.00 0.00 42.46 38.99 2kcc s ILE 42 CO 0.00 -0.30 0.12 -0.04 -2.11 0.00 0.00 174.94 172.62 2kcc s MET 43 N -3.18 0.58 -0.09 3.50 -1.94 -0.77 -4.94 119.30 112.46 2kcc s MET 43 Ca 0.59 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2kcc s MET 43 Cb -0.10 0.23 -0.00 0.00 2.01 0.00 0.00 34.83 36.97 2kcc s MET 43 CO 0.16 -0.15 -0.23 0.99 -0.01 0.00 0.00 175.02 175.78 2kcc s THR 44 N -2.25 2.14 0.22 2.05 2.01 -1.26 -0.44 115.64 118.10 2kcc s THR 44 Ca -0.08 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.83 2kcc s THR 44 Cb -0.03 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 2kcc s THR 44 CO -0.03 0.56 0.53 -0.76 -0.69 0.00 0.00 174.62 174.23 2kcc s LEU 45 N 0.20 4.18 0.21 4.42 2.01 0.10 -4.94 118.68 124.86 2kcc s LEU 45 Ca -0.14 0.88 -0.00 0.00 0.01 0.00 0.00 54.13 54.88 2kcc s LEU 45 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 46.19 42.35 2kcc s LEU 45 CO 0.07 -0.06 0.12 0.54 1.01 0.00 0.00 176.35 178.04 2kcc s ASN 46 N -2.38 0.40 0.15 2.29 2.20 -1.26 -0.61 114.94 115.74 2kcc s ASN 46 Ca 0.47 -1.39 -0.08 0.00 -0.94 0.00 0.00 52.86 50.91 2kcc s ASN 46 Cb -0.11 0.33 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 2kcc s ASN 46 CO 0.22 -0.82 0.45 0.68 -2.94 0.00 0.00 177.10 174.69 2kcc s VAL 47 N -4.06 5.05 -0.72 3.54 -7.23 -1.12 -4.88 120.40 110.99 2kcc s VAL 47 Ca 0.39 0.34 0.25 0.00 -1.81 0.00 0.00 61.98 61.15 2kcc s VAL 47 Cb 0.07 -3.64 0.10 0.00 0.56 0.00 0.00 36.38 33.48 2kcc s VAL 47 CO 0.12 0.09 1.45 0.00 -0.31 0.00 0.00 175.10 176.45 2kcc n GLN 48 N 0.29 0.24 -3.79 4.82 -0.00 -1.26 -0.96 117.38 116.72 2kcc n GLN 48 Ca -0.03 0.10 -0.10 0.00 -0.00 0.00 0.00 57.00 56.97 2kcc n GLN 48 Cb 0.52 -1.68 -0.04 0.00 -0.00 0.00 0.00 30.24 29.04 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 -3.13 1.33 0.35 2.61 0.41 -1.26 -4.80 118.70 114.22 2kcc s GLU 49 Ca 0.08 -0.93 -0.27 0.00 -0.41 0.00 0.00 54.97 53.43 2kcc s GLU 49 Cb 0.14 0.49 -0.09 0.00 -1.78 0.00 0.00 34.13 32.88 2kcc s GLU 49 CO 0.68 -0.55 1.25 1.03 -0.49 0.00 0.00 175.26 177.18 2kcc s ARG 50 N -3.89 4.25 0.00 1.61 3.00 -1.26 -3.71 118.95 118.94 2kcc s ARG 50 Ca 0.11 2.07 0.00 0.00 0.00 0.00 0.00 55.73 57.91 2kcc s ARG 50 Cb -0.00 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 32.01 2kcc s ARG 50 CO -0.02 -0.23 0.00 0.41 0.00 0.00 0.00 175.30 175.46 2kcc n GLY 51 N 0.79 -1.90 3.62 -3.53 0.00 -1.09 -4.67 105.19 98.41 2kcc n GLY 51 Ca 0.01 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.80 4.06 -0.11 1.61 3.00 -1.23 -2.07 118.95 122.41 2kcc s ARG 52 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 55.73 55.60 2kcc s ARG 52 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 34.95 31.30 2kcc s ARG 52 CO 0.00 -0.25 0.91 0.08 0.00 0.00 0.00 175.30 176.04 2kcc s VAL 53 N 1.98 4.85 -0.29 3.52 1.01 -1.02 -0.71 120.40 129.75 2kcc s VAL 53 Ca 0.17 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 2kcc s VAL 53 Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kcc s VAL 53 CO 0.09 0.06 -0.02 -0.54 0.00 0.00 0.00 175.10 174.69 2kcc s LYS 54 N 1.80 2.50 0.21 2.72 1.02 0.11 0.97 119.74 129.07 2kcc s LYS 54 Ca 0.44 -1.21 -0.32 0.00 0.02 0.00 0.00 55.97 54.90 2kcc s LYS 54 Cb -0.18 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.89 2kcc s LYS 54 CO 0.17 -0.57 1.62 0.66 -0.92 0.00 0.00 175.35 176.31 2kcc n TYR 55 N 4.62 2.55 -0.10 3.18 4.02 -1.26 -0.11 117.16 130.06 2kcc n TYR 55 Ca -0.14 0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.74 2kcc n TYR 55 Cb 0.44 -2.60 -0.07 0.00 -0.02 0.00 0.00 39.34 37.10 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 3.26 1.13 -1.33 -0.72 -0.00 -1.02 -4.89 119.36 115.79 2kcc n ILE 56 Ca 0.15 -0.24 -0.29 0.00 -0.00 0.00 0.00 62.75 62.37 2kcc n ILE 56 Cb 0.33 -1.81 0.14 0.00 -0.00 0.00 0.00 39.64 38.30 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 -2.39 1.24 0.46 0.38 -0.14 -1.25 -5.03 119.74 113.01 2kcc s LYS 57 Ca -0.27 0.62 -0.00 0.00 -1.36 0.00 0.00 55.97 54.95 2kcc s LYS 57 Cb 0.10 -1.82 -0.00 0.00 -1.68 0.00 0.00 37.83 34.43 2kcc s LYS 57 CO 0.35 -2.20 0.69 1.03 -0.76 0.00 0.00 175.35 174.46 2kcc s ARG 58 N -5.05 3.06 0.14 1.68 3.00 -1.26 -5.03 118.95 115.48 2kcc s ARG 58 Ca 0.63 -0.44 -0.31 0.00 0.00 0.00 0.00 55.73 55.61 2kcc s ARG 58 Cb -0.17 -2.53 -0.09 0.00 0.00 0.00 0.00 34.95 32.16 2kcc s ARG 58 CO 0.56 -0.31 1.49 -1.25 0.00 0.00 0.00 175.30 175.79 2kcc s PRO 59 N -4.60 4.26 0.00 3.54 0.04 -1.26 -2.35 135.00 134.64 2kcc s PRO 59 Ca 0.49 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2kcc s PRO 59 Cb -0.10 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2kcc s PRO 59 CO 0.39 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2kcc n GLY 60 N 3.64 2.91 3.71 0.56 0.00 -1.23 -5.01 105.19 109.77 2kcc n GLY 60 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.85 1.63 -2.61 4.61 0.00 -0.99 -4.14 120.51 118.17 2kcc n ALA 61 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2kcc n ALA 61 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.10 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 -0.58 4.60 0.67 0.00 1.01 -1.26 -1.94 120.40 122.89 2kcc s VAL 62 Ca 0.60 1.90 -0.09 0.00 0.00 0.00 0.00 61.98 64.39 2kcc s VAL 62 Cb -0.57 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.61 2kcc s VAL 62 CO 0.56 -0.08 1.03 -0.76 0.00 0.00 0.00 175.10 175.85 2kcc s LEU 63 N 2.65 3.00 0.11 3.92 1.02 0.17 -4.89 118.68 124.66 2kcc s LEU 63 Ca 0.49 0.96 0.03 0.00 0.02 0.00 0.00 54.13 55.62 2kcc s LEU 63 Cb -0.19 -3.75 -0.04 0.00 0.02 0.00 0.00 46.19 42.23 2kcc s LEU 63 CO 0.14 -1.27 -0.08 -1.61 0.02 0.00 0.00 176.35 173.55 2kcc s GLU 64 N -5.24 0.90 -0.88 1.70 2.02 -1.26 -2.02 118.70 113.92 2kcc s GLU 64 Ca 0.57 -1.32 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 2kcc s GLU 64 Cb -0.11 -0.40 -0.15 0.00 0.10 0.00 0.00 34.13 33.57 2kcc s GLU 64 CO 0.49 0.03 2.29 0.00 0.02 0.00 0.00 175.26 178.09 2kcc s ALA 65 N -3.23 0.73 0.00 5.21 0.00 -1.24 -0.58 121.76 122.65 2kcc s ALA 65 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2kcc s ALA 65 Cb 0.02 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2kcc s ALA 65 CO -0.02 -6.08 0.00 0.41 0.00 0.00 0.00 175.76 170.07 2kcc n GLY 66 N 6.64 1.40 3.76 0.00 0.00 -0.51 -4.89 105.19 111.58 2kcc n GLY 66 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.43 4.11 -0.12 0.00 1.01 -1.26 -1.03 120.40 121.68 2kcc s VAL 68 Ca 0.69 0.79 0.14 0.00 0.00 0.00 0.00 61.98 63.60 2kcc s VAL 68 Cb -0.35 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.34 2kcc s VAL 68 CO 0.41 -1.28 1.29 0.58 0.00 0.00 0.00 175.10 176.10 2kcc h VAL 69 N 6.13 0.88 -1.30 2.92 2.07 -1.81 -3.35 116.25 121.79 2kcc h VAL 69 Ca -0.25 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2kcc h VAL 69 Cb 1.06 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2kcc h VAL 69 CO 1.16 0.50 0.00 0.00 0.02 0.00 0.00 177.57 179.25 2kcc n ALA 70 N -2.28 0.00 -2.94 1.67 0.00 -1.23 -2.42 120.51 113.31 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 0.78 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.81 0.09 -0.25 0.00 1.81 0.84 -1.53 118.95 119.11 2kcc s ARG 71 Ca 0.00 0.06 -0.14 0.00 -1.72 0.00 0.00 55.73 53.92 2kcc s ARG 71 Cb 0.00 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.50 2kcc s ARG 71 CO 0.00 -0.01 0.35 -0.51 -0.68 0.00 0.00 175.30 174.45 2kcc s LEU 72 N -0.04 4.08 -1.22 2.53 2.01 -1.18 0.08 118.68 124.93 2kcc s LEU 72 Ca -0.01 0.32 -0.12 0.00 0.01 0.00 0.00 54.13 54.33 2kcc s LEU 72 Cb -0.01 -2.40 0.18 0.00 0.01 0.00 0.00 46.19 43.97 2kcc s LEU 72 CO 0.00 -0.12 1.53 1.21 1.01 0.00 0.00 176.35 179.98 2kcc n GLU 73 N 4.98 3.45 -1.87 1.70 4.07 0.11 -4.55 120.64 128.53 2kcc n GLU 73 Ca -0.09 -3.81 -0.42 0.00 -0.06 0.00 0.00 57.16 52.77 2kcc n GLU 73 Cb 0.51 -2.99 -0.03 0.00 -0.06 0.00 0.00 31.44 28.87 2kcc n GLU 73 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2kcc s LEU 74 N 1.00 4.37 -1.03 4.31 1.02 -1.26 -3.55 118.68 123.54 2kcc s LEU 74 Ca 0.41 2.55 -0.11 0.00 0.02 0.00 0.00 54.13 57.01 2kcc s LEU 74 Cb -0.00 -3.56 -0.07 0.00 0.02 0.00 0.00 46.19 42.57 2kcc s LEU 74 CO 0.00 -0.92 2.20 0.47 0.02 0.00 0.00 176.35 178.12 2kcc n ASP 75 N 5.73 4.85 -4.80 2.29 8.00 -1.26 -4.91 116.55 126.45 2kcc n ASP 75 Ca 0.16 -2.48 -0.29 0.00 0.71 0.00 0.00 54.79 52.90 2kcc n ASP 75 Cb 0.40 -1.21 0.11 0.00 -0.02 0.00 0.00 41.12 40.40 2kcc n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kcc s ASP 76 N 3.57 4.07 -1.26 -2.24 2.15 -1.26 -4.29 116.67 117.42 2kcc s ASP 76 Ca 0.48 0.80 -0.01 0.00 0.43 0.00 0.00 52.55 54.25 2kcc s ASP 76 Cb 0.13 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2kcc s ASP 76 CO -0.01 -2.18 0.94 0.18 -0.17 0.00 0.00 175.17 173.93 2kcc n LEU 77 N -3.50 -3.67 -3.54 -1.34 4.77 -1.26 -5.00 117.00 103.47 2kcc n LEU 77 Ca 0.08 -0.67 -0.01 0.00 -0.03 0.00 0.00 56.01 55.38 2kcc n LEU 77 Cb 0.60 -2.97 -0.05 0.00 -2.33 0.00 0.00 43.42 38.67 2kcc n LEU 77 CO 0.56 0.42 0.48 -0.70 -1.33 0.00 0.00 177.39 176.83 2kcc s GLU 78 N -5.67 0.43 0.02 3.23 2.56 -1.26 -5.17 118.70 112.84 2kcc s GLU 78 Ca 0.09 1.00 -0.03 0.00 0.00 0.00 0.00 54.97 56.03 2kcc s GLU 78 Cb -0.04 0.50 -0.02 0.00 2.00 0.00 0.00 34.13 36.57 2kcc s GLU 78 CO 0.76 -0.13 0.03 -1.01 -0.56 0.00 0.00 175.26 174.34 2kcc s HIS 79 N 2.36 0.24 0.45 5.30 3.76 -1.26 -5.11 115.29 121.03 2kcc s HIS 79 Ca -0.05 -0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 54.13 2kcc s HIS 79 Cb -0.07 -0.18 -0.10 0.00 1.11 0.00 0.00 32.58 33.33 2kcc s HIS 79 CO -0.18 -0.27 0.97 -1.58 -0.85 0.00 0.00 174.74 172.83 2kcc s HIS 80 N -2.01 3.26 0.04 1.40 2.46 -1.26 -5.08 115.29 114.10 2kcc s HIS 80 Ca -0.10 1.60 -0.02 0.00 0.47 0.00 0.00 55.06 57.00 2kcc s HIS 80 Cb -0.05 -2.89 -0.03 0.00 -0.13 0.00 0.00 32.58 29.48 2kcc s HIS 80 CO -0.02 -0.26 -0.00 -1.01 -2.47 0.00 0.00 174.74 170.97 2kcc s HIS 81 N -2.17 0.40 -0.11 3.88 3.76 -1.26 -5.06 115.29 114.73 2kcc s HIS 81 Ca 0.63 -0.85 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 2kcc s HIS 81 Cb -0.10 -0.29 -0.13 0.00 1.11 0.00 0.00 32.58 33.16 2kcc s HIS 81 CO 0.15 -0.34 0.03 -2.39 -0.85 0.00 0.00 174.74 171.34 2kcc n HIS 82 N 0.52 0.00 0.29 1.40 1.44 -1.26 -4.49 115.22 113.11 2kcc n HIS 82 Ca -0.17 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.69 2kcc n HIS 82 Cb 0.59 -0.52 0.85 0.00 0.12 0.00 0.00 29.99 31.03 2kcc n HIS 82 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2kcc h HIS 83 N 0.00 0.00 0.00 -1.40 2.07 -2.05 -3.58 115.15 110.19 2kcc h HIS 83 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 2kcc h HIS 83 Cb 1.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.63 2kcc h HIS 83 CO 0.00 0.06 0.00 1.58 -3.07 0.00 0.00 177.93 176.50