#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 1.73 -0.34 0.03 2.12 -1.26 -5.09 118.70 115.89 2kcc s GLU 2 Ca 0.00 -0.92 0.03 0.00 0.36 0.00 0.00 54.97 54.44 2kcc s GLU 2 Cb 0.00 -2.50 0.10 0.00 0.26 0.00 0.00 34.13 31.98 2kcc s GLU 2 CO 0.00 -0.54 0.06 -0.80 -0.54 0.00 0.00 175.26 173.44 2kcc s ASN 3 N 1.41 4.82 0.56 -1.70 -0.87 -1.26 -5.11 114.94 112.79 2kcc s ASN 3 Ca -0.04 -2.02 -0.12 0.00 -1.57 0.00 0.00 52.86 49.11 2kcc s ASN 3 Cb -0.18 -1.66 -0.05 0.00 -0.02 0.00 0.00 41.25 39.34 2kcc s ASN 3 CO -0.07 -0.38 0.97 -1.81 -2.57 0.00 0.00 177.10 173.24 2kcc s ASP 4 N 1.08 6.36 0.47 -1.22 1.11 -1.26 -4.97 116.67 118.24 2kcc s ASP 4 Ca 0.08 1.38 0.25 0.00 0.18 0.00 0.00 52.55 54.44 2kcc s ASP 4 Cb -0.20 -2.44 1.09 0.00 1.07 0.00 0.00 42.92 42.44 2kcc s ASP 4 CO -0.07 -0.72 1.90 1.55 1.18 0.00 0.00 175.17 179.01 2kcc h PRO 5 N 0.19 0.00 -1.32 8.23 0.13 -1.99 -3.06 132.00 134.19 2kcc h PRO 5 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 2kcc h PRO 5 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2kcc h PRO 5 CO 0.62 0.19 0.43 0.25 -0.23 0.00 0.00 178.00 179.27 2kcc n THR 6 N -3.45 2.66 -3.66 1.56 -2.24 -1.26 -4.79 114.28 103.09 2kcc n THR 6 Ca -0.00 -1.55 -0.12 0.00 -2.27 0.00 0.00 64.05 60.10 2kcc n THR 6 Cb 0.37 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.32 -0.46 0.11 2.28 1.01 -1.16 -2.93 120.40 116.92 2kcc s VAL 7 Ca 0.33 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 2kcc s VAL 7 Cb 0.27 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 2kcc s VAL 7 CO 0.02 0.10 0.56 -0.22 0.00 0.00 0.00 175.10 175.56 2kcc s LEU 8 N 2.42 4.44 -0.14 3.92 1.98 -0.88 -4.84 118.68 125.58 2kcc s LEU 8 Ca -0.00 1.18 -0.13 0.00 -2.89 0.00 0.00 54.13 52.29 2kcc s LEU 8 Cb -0.12 -3.07 0.04 0.00 0.66 0.00 0.00 46.19 43.70 2kcc s LEU 8 CO -0.10 0.19 0.37 -0.13 -1.89 0.00 0.00 176.35 174.80 2kcc s ARG 9 N -1.50 0.42 0.47 1.98 0.52 -1.26 -2.73 118.95 116.85 2kcc s ARG 9 Ca 0.33 0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 55.84 2kcc s ARG 9 Cb -0.17 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.42 2kcc s ARG 9 CO 0.19 -0.06 1.20 0.45 0.02 0.00 0.00 175.30 177.10 2kcc s SER 10 N 0.26 6.02 0.33 0.23 0.15 -1.10 -4.89 113.70 114.70 2kcc s SER 10 Ca -0.01 2.38 0.16 0.00 0.70 0.00 0.00 55.95 59.18 2kcc s SER 10 Cb -0.03 -2.61 0.54 0.00 -1.71 0.00 0.00 66.02 62.21 2kcc s SER 10 CO -0.00 -1.02 1.68 1.55 1.20 0.00 0.00 173.24 176.64 2kcc h PRO 11 N 1.95 0.00 -3.60 5.44 0.13 -1.93 -3.01 132.00 130.98 2kcc h PRO 11 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2kcc h PRO 11 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2kcc h PRO 11 CO 0.60 0.47 -0.00 -1.12 -0.23 0.00 0.00 178.00 177.71 2kcc s SER 12 N -6.57 0.33 -0.23 1.44 0.01 -1.26 -4.68 113.70 102.74 2kcc s SER 12 Ca -0.00 -1.19 -0.29 0.00 1.31 0.00 0.00 55.95 55.77 2kcc s SER 12 Cb 0.11 0.71 -0.00 0.00 0.21 0.00 0.00 66.02 67.05 2kcc s SER 12 CO 0.71 -1.39 1.25 0.00 0.41 0.00 0.00 173.24 174.23 2kcc s ALA 13 N -3.11 3.55 0.00 1.44 0.00 -1.26 -3.57 121.76 118.80 2kcc s ALA 13 Ca 0.23 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2kcc s ALA 13 Cb -0.02 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2kcc s ALA 13 CO 0.14 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2kcc n GLY 14 N 3.87 5.09 3.64 0.00 0.00 0.12 -4.74 105.19 113.16 2kcc n GLY 14 Ca 0.14 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 4.15 0.70 -0.58 1.61 2.36 -1.21 -1.80 119.74 124.97 2kcc s LYS 15 Ca 0.00 0.97 -0.26 0.00 -2.55 0.00 0.00 55.97 54.13 2kcc s LYS 15 Cb 0.00 0.26 -0.03 0.00 -1.05 0.00 0.00 37.83 37.01 2kcc s LYS 15 CO 0.00 -0.11 1.96 -1.17 1.55 0.00 0.00 175.35 177.58 2kcc s LEU 16 N 0.87 3.32 -0.03 5.43 2.96 -0.45 -0.53 118.68 130.24 2kcc s LEU 16 Ca -0.04 0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 54.16 2kcc s LEU 16 Cb -0.05 -2.57 -0.23 0.00 0.50 0.00 0.00 46.19 43.84 2kcc s LEU 16 CO -0.09 -2.44 1.07 0.00 -1.32 0.00 0.00 176.35 173.57 2kcc h THR 17 N 7.03 1.50 -0.71 3.68 1.03 -1.88 -3.16 112.91 120.40 2kcc h THR 17 Ca -0.26 -1.96 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 2kcc h THR 17 Cb 1.18 2.66 0.00 0.00 -1.07 0.00 0.00 68.15 70.92 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 -4.41 0.00 -3.76 0.00 7.27 -1.25 -4.88 117.38 110.35 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 0.55 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.10 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 -2.83 -0.36 -0.97 3.69 -0.85 -1.26 -3.13 117.35 111.64 2kcc s TYR 19 Ca 0.00 0.87 0.23 0.00 -0.52 0.00 0.00 57.07 57.65 2kcc s TYR 19 Cb 0.00 0.12 0.07 0.00 0.38 0.00 0.00 41.96 42.53 2kcc s TYR 19 CO 0.00 -0.19 1.10 0.25 -1.52 0.00 0.00 175.55 175.19 2kcc n THR 20 N 2.81 0.01 -3.75 -3.49 -2.24 -1.15 -4.94 114.28 101.53 2kcc n THR 20 Ca -0.13 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2kcc n THR 20 Cb 0.58 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -3.02 0.03 1.12 2.28 -7.23 -1.21 -4.97 120.40 107.40 2kcc s VAL 21 Ca 0.09 -0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 59.84 2kcc s VAL 21 Cb 0.16 -0.55 0.28 0.00 0.56 0.00 0.00 36.38 36.83 2kcc s VAL 21 CO 0.80 -0.12 0.94 -1.84 -0.31 0.00 0.00 175.10 174.57 2kcc n GLU 22 N 2.11 -3.16 -1.71 4.82 0.28 -1.26 -4.80 120.64 116.92 2kcc n GLU 22 Ca -0.17 -1.51 -0.42 0.00 -0.16 0.00 0.00 57.16 54.89 2kcc n GLU 22 Cb 0.57 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 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 -4.79 4.03 -0.77 -1.84 9.92 -1.26 -1.60 116.55 120.23 2kcc n ASP 23 Ca 0.13 1.03 -0.08 0.00 -0.53 0.00 0.00 54.79 55.35 2kcc n ASP 23 Cb 0.52 -1.57 -0.01 0.00 -0.64 0.00 0.00 41.12 39.42 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcc n GLY 24 N 4.07 0.39 3.62 0.44 0.00 0.22 -4.95 105.19 108.97 2kcc n GLY 24 Ca 0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.75 1.06 0.07 -0.02 0.00 -0.55 -4.46 107.32 100.67 2kcc s GLY 25 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 2kcc s GLY 25 CO 0.00 3.12 1.79 -2.38 0.00 0.00 0.00 173.10 175.63 2kcc s HIS 26 N 5.83 2.00 -0.08 1.90 -3.43 -1.26 -2.21 115.29 118.03 2kcc s HIS 26 Ca 0.75 -0.00 -0.07 0.00 -0.80 0.00 0.00 55.06 54.94 2kcc s HIS 26 Cb -0.24 -4.10 0.02 0.00 -1.43 0.00 0.00 32.58 26.83 2kcc s HIS 26 CO 0.31 -4.62 0.21 0.14 -2.00 0.00 0.00 174.74 168.78 2kcc s VAL 27 N 3.28 -0.01 0.56 -5.38 -7.23 -0.73 -4.96 120.40 105.94 2kcc s VAL 27 Ca 0.80 0.02 -0.08 0.00 -1.81 0.00 0.00 61.98 60.91 2kcc s VAL 27 Cb -0.42 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2kcc s VAL 27 CO 0.36 0.01 0.91 -1.83 -0.31 0.00 0.00 175.10 174.23 2kcc s GLU 28 N 0.27 3.38 0.10 4.82 -1.05 -1.26 -2.49 118.70 122.46 2kcc s GLU 28 Ca -0.01 0.34 -0.36 0.00 -0.15 0.00 0.00 54.97 54.79 2kcc s GLU 28 Cb -0.03 -2.24 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.01 -0.48 1.29 0.00 0.95 0.00 0.00 175.26 177.01 2kcc n ALA 29 N -2.53 -1.06 0.00 -0.84 0.00 -1.21 -0.59 120.51 114.28 2kcc n ALA 29 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kcc n ALA 29 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.37 3.11 3.70 0.00 0.00 -0.49 -4.93 105.19 108.95 2kcc n GLY 30 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 6.93 0.30 1.61 0.15 0.25 -4.74 113.70 118.09 2kcc s SER 31 Ca 0.00 2.09 -0.29 0.00 0.70 0.00 0.00 55.95 58.45 2kcc s SER 31 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 2kcc s SER 31 CO 0.00 -0.63 1.34 -0.94 1.20 0.00 0.00 173.24 174.21 2kcc s SER 32 N 1.46 6.76 -0.00 5.45 1.04 -1.26 -2.97 113.70 124.19 2kcc s SER 32 Ca 0.62 2.64 0.05 0.00 0.48 0.00 0.00 55.95 59.75 2kcc s SER 32 Cb -0.31 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.10 2kcc s SER 32 CO 0.27 -0.57 0.20 0.00 0.98 0.00 0.00 173.24 174.12 2kcc n TYR 33 N 1.39 0.00 -3.55 5.02 0.18 0.25 -4.81 117.16 115.64 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 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.34 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 -1.31 0.00 -2.57 -3.48 0.00 -1.00 -2.95 120.51 109.21 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 0.10 0.00 -0.08 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 -1.80 1.06 -0.20 0.00 2.02 -1.18 -0.05 118.70 118.55 2kcc s GLU 35 Ca 0.00 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 53.72 2kcc s GLU 35 Cb 0.00 0.34 0.09 0.00 0.10 0.00 0.00 34.13 34.66 2kcc s GLU 35 CO 0.00 -0.36 0.42 0.00 0.02 0.00 0.00 175.26 175.34 2kcc s MET 36 N -3.97 0.33 -0.57 1.61 0.23 -0.69 -3.11 119.30 113.12 2kcc s MET 36 Ca 0.17 1.03 -0.22 0.00 -1.03 0.00 0.00 55.69 55.64 2kcc s MET 36 Cb 0.04 0.32 0.06 0.00 -1.53 0.00 0.00 34.83 33.72 2kcc s MET 36 CO -0.01 -0.25 0.84 -2.00 -2.03 0.00 0.00 175.02 171.57 2kcc s GLU 37 N 2.55 3.19 0.53 3.16 2.12 0.30 -2.68 118.70 127.87 2kcc s GLU 37 Ca -0.02 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 2kcc s GLU 37 Cb -0.12 -4.13 0.02 0.00 0.26 0.00 0.00 34.13 30.16 2kcc s GLU 37 CO -0.13 -1.51 0.77 0.54 -0.54 0.00 0.00 175.26 174.39 2kcc s VAL 38 N 3.50 3.34 0.59 3.70 0.11 -1.03 -3.36 120.40 127.25 2kcc s VAL 38 Ca 0.22 -0.46 0.29 0.00 -2.93 0.00 0.00 61.98 59.10 2kcc s VAL 38 Cb -0.17 -3.27 0.36 0.00 -1.53 0.00 0.00 36.38 31.78 2kcc s VAL 38 CO 0.13 -0.21 2.05 0.24 -3.33 0.00 0.00 175.10 173.98 2kcc h MET 39 N 0.11 0.00 0.00 1.54 0.00 -1.95 -3.16 114.93 111.48 2kcc h MET 39 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.26 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 0.56 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.10 2kcc n LYS 40 N -3.74 0.00 -2.81 1.72 4.01 -1.26 -5.07 118.16 111.01 2kcc n LYS 40 Ca 0.03 0.20 -0.07 0.00 -0.51 0.00 0.00 58.31 57.96 2kcc n LYS 40 Cb 0.41 -0.78 -0.01 0.00 -0.51 0.00 0.00 35.03 34.14 2kcc n LYS 40 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2kcc n MET 41 N -1.10 0.46 -2.93 1.97 1.56 -1.19 -5.16 117.12 110.73 2kcc n MET 41 Ca 0.00 -1.48 -0.35 0.00 -0.27 0.00 0.00 57.70 55.61 2kcc n MET 41 Cb 0.00 1.52 -0.06 0.00 2.15 0.00 0.00 33.22 36.82 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 -2.61 4.42 0.12 1.12 1.10 -1.26 -2.48 121.20 121.62 2kcc s ILE 42 Ca 0.14 1.45 -0.07 0.00 -0.51 0.00 0.00 60.65 61.67 2kcc s ILE 42 Cb -0.01 -3.79 -0.01 0.00 0.15 0.00 0.00 42.46 38.80 2kcc s ILE 42 CO 0.10 -0.04 0.19 -0.04 -2.11 0.00 0.00 174.94 173.05 2kcc s MET 43 N -2.53 0.97 -0.07 3.50 -1.94 -1.09 -4.98 119.30 113.15 2kcc s MET 43 Ca 0.53 -1.15 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 2kcc s MET 43 Cb -0.14 0.33 -0.01 0.00 2.01 0.00 0.00 34.83 37.03 2kcc s MET 43 CO 0.19 -0.32 -0.25 0.99 -0.01 0.00 0.00 175.02 175.62 2kcc s THR 44 N -3.94 2.05 -0.09 2.05 2.01 -1.26 -1.71 115.64 114.75 2kcc s THR 44 Ca 0.13 -1.05 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 2kcc s THR 44 Cb 0.05 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2kcc s THR 44 CO -0.04 0.57 0.46 -0.76 -0.69 0.00 0.00 174.62 174.15 2kcc s LEU 45 N 0.04 4.32 0.32 4.42 1.02 0.93 -4.94 118.68 124.79 2kcc s LEU 45 Ca -0.10 0.84 0.03 0.00 0.02 0.00 0.00 54.13 54.93 2kcc s LEU 45 Cb -0.15 -2.66 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 2kcc s LEU 45 CO 0.06 0.08 0.08 0.54 0.02 0.00 0.00 176.35 177.13 2kcc s ASN 46 N 0.22 2.16 0.25 2.29 2.20 -1.26 0.87 114.94 121.67 2kcc s ASN 46 Ca 0.25 -1.42 -0.04 0.00 -0.94 0.00 0.00 52.86 50.71 2kcc s ASN 46 Cb -0.15 0.06 -0.05 0.00 -2.00 0.00 0.00 41.25 39.11 2kcc s ASN 46 CO 0.11 -0.68 0.49 0.68 -2.94 0.00 0.00 177.10 174.75 2kcc s VAL 47 N -3.39 5.09 -0.43 3.54 -7.23 -1.16 -4.87 120.40 111.95 2kcc s VAL 47 Ca 0.35 -0.06 0.23 0.00 -1.81 0.00 0.00 61.98 60.69 2kcc s VAL 47 Cb 0.08 -3.72 0.14 0.00 0.56 0.00 0.00 36.38 33.44 2kcc s VAL 47 CO 0.15 -0.24 1.35 0.06 -0.31 0.00 0.00 175.10 176.11 2kcc h GLN 48 N 1.90 0.00 -3.54 4.82 -0.00 -1.92 -1.29 115.11 115.07 2kcc h GLN 48 Ca -0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.08 2kcc h GLN 48 Cb 1.19 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.61 2kcc h GLN 48 CO 0.67 0.00 0.00 -1.21 -0.00 0.00 0.00 178.83 178.30 2kcc s GLU 49 N -3.25 1.86 0.36 0.06 0.41 -1.26 -4.74 118.70 112.14 2kcc s GLU 49 Ca 0.04 -1.41 -0.27 0.00 -0.41 0.00 0.00 54.97 52.92 2kcc s GLU 49 Cb 0.09 0.52 -0.09 0.00 -1.78 0.00 0.00 34.13 32.87 2kcc s GLU 49 CO 0.72 -0.81 1.24 1.03 -0.49 0.00 0.00 175.26 176.95 2kcc s ARG 50 N -3.29 4.22 0.00 1.61 3.00 -1.26 -3.36 118.95 119.87 2kcc s ARG 50 Ca 0.22 2.05 0.00 0.00 0.00 0.00 0.00 55.73 58.00 2kcc s ARG 50 Cb -0.02 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 32.02 2kcc s ARG 50 CO 0.13 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.59 2kcc n GLY 51 N 0.78 0.73 3.62 -3.53 0.00 -1.04 -4.70 105.19 101.05 2kcc n GLY 51 Ca 0.02 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.95 4.07 -0.11 1.61 3.00 -1.23 -1.77 118.95 122.57 2kcc s ARG 52 Ca 0.00 0.15 -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 31.31 2kcc s ARG 52 CO 0.00 -0.24 0.92 0.08 0.00 0.00 0.00 175.30 176.06 2kcc s VAL 53 N 1.94 4.85 -0.30 3.52 1.01 -0.94 -0.32 120.40 130.16 2kcc s VAL 53 Ca 0.17 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 2kcc s VAL 53 Cb -0.15 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kcc s VAL 53 CO 0.09 0.06 0.00 -0.54 0.00 0.00 0.00 175.10 174.71 2kcc s LYS 54 N 1.79 2.40 0.29 2.72 1.02 -1.04 0.71 119.74 127.61 2kcc s LYS 54 Ca 0.45 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 2kcc s LYS 54 Cb -0.18 -3.18 -0.12 0.00 -0.52 0.00 0.00 37.83 33.83 2kcc s LYS 54 CO 0.18 -0.63 1.50 0.66 -0.92 0.00 0.00 175.35 176.13 2kcc n TYR 55 N 4.61 2.57 -0.05 3.18 4.02 -1.26 -0.94 117.16 129.29 2kcc n TYR 55 Ca -0.13 0.36 -0.06 0.00 -0.01 0.00 0.00 57.90 58.06 2kcc n TYR 55 Cb 0.43 -2.53 -0.02 0.00 -0.02 0.00 0.00 39.34 37.20 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 1.77 1.33 -1.34 -0.72 -0.00 -1.18 -4.89 119.36 114.33 2kcc n ILE 56 Ca 0.09 0.22 -0.29 0.00 -0.00 0.00 0.00 62.75 62.77 2kcc n ILE 56 Cb 0.35 -2.09 0.15 0.00 -0.00 0.00 0.00 39.64 38.05 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 -2.55 0.94 0.47 0.38 -0.14 -1.25 -5.04 119.74 112.56 2kcc s LYS 57 Ca -0.20 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 54.91 2kcc s LYS 57 Cb 0.03 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.38 2kcc s LYS 57 CO 0.29 -2.38 0.69 1.03 -0.76 0.00 0.00 175.35 174.23 2kcc s ARG 58 N -5.08 3.00 0.19 1.68 0.52 -1.26 -5.05 118.95 112.95 2kcc s ARG 58 Ca 0.64 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 2kcc s ARG 58 Cb -0.17 -2.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.67 2kcc s ARG 58 CO 0.56 -0.34 1.39 -1.25 0.02 0.00 0.00 175.30 175.68 2kcc s PRO 59 N -4.60 4.32 0.00 3.54 0.04 -1.26 -2.64 135.00 134.39 2kcc s PRO 59 Ca 0.50 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2kcc s PRO 59 Cb -0.10 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.27 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 2.68 3.19 3.68 0.56 0.00 -1.20 -5.03 105.19 109.08 2kcc n GLY 60 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.94 1.07 -2.63 4.61 0.00 -1.08 -4.40 120.51 117.14 2kcc n ALA 61 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2kcc n ALA 61 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.23 4.64 0.32 0.00 -7.23 -1.26 -1.34 120.40 114.30 2kcc s VAL 62 Ca 0.63 1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 62.51 2kcc s VAL 62 Cb -0.51 -4.21 -0.09 0.00 0.56 0.00 0.00 36.38 32.12 2kcc s VAL 62 CO 0.57 0.13 0.80 -0.76 -0.31 0.00 0.00 175.10 175.53 2kcc s LEU 63 N 1.16 4.13 0.09 1.32 1.43 -0.75 -4.89 118.68 121.17 2kcc s LEU 63 Ca 0.53 1.46 0.08 0.00 -1.03 0.00 0.00 54.13 55.17 2kcc s LEU 63 Cb -0.23 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 2kcc s LEU 63 CO 0.27 -0.17 -0.22 -1.61 0.23 0.00 0.00 176.35 174.86 2kcc s GLU 64 N -2.69 1.26 -0.62 1.70 0.41 -1.26 0.16 118.70 117.65 2kcc s GLU 64 Ca 0.53 -1.12 -0.26 0.00 -0.41 0.00 0.00 54.97 53.71 2kcc s GLU 64 Cb -0.12 -1.50 -0.09 0.00 -1.78 0.00 0.00 34.13 30.64 2kcc s GLU 64 CO 0.18 0.36 2.34 0.00 -0.49 0.00 0.00 175.26 177.66 2kcc s ALA 65 N -1.03 1.35 0.00 5.21 0.00 -1.23 -0.99 121.76 125.06 2kcc s ALA 65 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kcc s ALA 65 Cb -0.10 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2kcc s ALA 65 CO 0.04 -4.95 0.00 0.41 0.00 0.00 0.00 175.76 171.26 2kcc n GLY 66 N 6.30 1.74 3.76 0.00 0.00 -1.14 -4.90 105.19 110.94 2kcc n GLY 66 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 4.14 -0.25 0.00 1.01 -1.26 -2.71 120.40 119.84 2kcc s VAL 68 Ca 0.73 0.79 0.19 0.00 0.00 0.00 0.00 61.98 63.68 2kcc s VAL 68 Cb -0.33 -4.66 0.13 0.00 0.00 0.00 0.00 36.38 31.51 2kcc s VAL 68 CO 0.38 -1.24 1.39 -0.37 0.00 0.00 0.00 175.10 175.26 2kcc h VAL 69 N 6.13 0.45 -1.20 2.92 -1.51 -1.86 -3.38 116.25 117.80 2kcc h VAL 69 Ca -0.25 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 2kcc h VAL 69 Cb 1.06 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 2kcc h VAL 69 CO 1.15 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 177.75 2kcc n ALA 70 N -2.20 0.00 -4.22 5.19 0.00 -1.22 -3.10 120.51 114.97 2kcc n ALA 70 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 2kcc n ALA 70 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 2kcc n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcc n ARG 71 N 0.00 0.48 -3.70 0.00 5.12 -0.12 -2.07 116.66 116.37 2kcc n ARG 71 Ca 0.00 -3.25 -0.17 0.00 -1.93 0.00 0.00 57.85 52.51 2kcc n ARG 71 Cb 0.00 2.75 -0.16 0.00 -1.16 0.00 0.00 32.46 33.89 2kcc n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kcc s LEU 72 N 0.00 0.27 -1.23 0.55 2.01 -1.15 -2.51 118.68 116.62 2kcc s LEU 72 Ca 0.38 0.24 -0.13 0.00 0.01 0.00 0.00 54.13 54.63 2kcc s LEU 72 Cb 0.01 0.17 0.17 0.00 0.01 0.00 0.00 46.19 46.55 2kcc s LEU 72 CO 0.27 -0.21 1.54 -0.62 1.01 0.00 0.00 176.35 178.34 2kcc n GLU 73 N 4.95 3.43 0.28 1.70 1.02 0.56 -4.59 120.64 127.98 2kcc n GLU 73 Ca -0.12 -3.78 0.14 0.00 -0.02 0.00 0.00 57.16 53.38 2kcc n GLU 73 Cb 0.50 -3.01 0.80 0.00 -0.02 0.00 0.00 31.44 29.71 2kcc n GLU 73 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kcc h LEU 74 N 9.25 0.00 -2.63 -4.62 -0.00 -1.88 -3.26 115.31 112.18 2kcc h LEU 74 Ca 0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.62 2kcc h LEU 74 Cb 0.81 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.35 2kcc h LEU 74 CO 1.33 0.08 -0.97 0.47 -0.00 0.00 0.00 178.44 179.35 2kcc n ASP 75 N -3.69 -0.82 -4.28 -0.43 8.00 -1.26 -4.93 116.55 109.14 2kcc n ASP 75 Ca -0.02 -1.25 -0.30 0.00 0.71 0.00 0.00 54.79 53.93 2kcc n ASP 75 Cb 0.19 -1.83 0.17 0.00 -0.02 0.00 0.00 41.12 39.63 2kcc n ASP 75 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kcc s ASP 76 N -4.12 2.97 0.03 -2.24 1.47 -1.26 -5.00 116.67 108.53 2kcc s ASP 76 Ca 0.16 0.51 0.09 0.00 1.18 0.00 0.00 52.55 54.49 2kcc s ASP 76 Cb -0.08 -0.74 -0.22 0.00 -0.34 0.00 0.00 42.92 41.53 2kcc s ASP 76 CO 0.98 -2.84 0.93 -0.07 0.68 0.00 0.00 175.17 174.84 2kcc h LEU 77 N -1.71 0.02 -6.24 2.11 3.38 -2.06 -3.40 115.31 107.42 2kcc h LEU 77 Ca -0.46 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 56.81 2kcc h LEU 77 Cb 1.27 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.03 2kcc h LEU 77 CO 0.45 1.03 2.65 1.21 0.09 0.00 0.00 178.44 183.87 2kcc n GLU 78 N -3.20 2.06 -3.67 1.13 2.13 -1.26 -4.81 120.64 113.03 2kcc n GLU 78 Ca -0.10 -2.12 -0.15 0.00 0.66 0.00 0.00 57.16 55.45 2kcc n GLU 78 Cb 1.00 -3.04 -0.08 0.00 0.27 0.00 0.00 31.44 29.59 2kcc n GLU 78 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kcc s HIS 79 N 4.23 -0.45 -0.28 4.31 2.46 -1.26 -5.14 115.29 119.16 2kcc s HIS 79 Ca 0.53 0.90 -0.01 0.00 0.47 0.00 0.00 55.06 56.95 2kcc s HIS 79 Cb 0.14 0.22 0.09 0.00 -0.13 0.00 0.00 32.58 32.90 2kcc s HIS 79 CO 0.03 -0.41 0.07 -1.58 -2.47 0.00 0.00 174.74 170.38 2kcc s HIS 80 N -0.74 1.64 0.01 3.88 5.04 -1.26 -5.11 115.29 118.75 2kcc s HIS 80 Ca -0.08 -1.55 -0.02 0.00 -1.54 0.00 0.00 55.06 51.87 2kcc s HIS 80 Cb -0.03 -1.56 -0.01 0.00 0.04 0.00 0.00 32.58 31.02 2kcc s HIS 80 CO 0.05 -0.81 0.02 -1.58 -2.34 0.00 0.00 174.74 170.08 2kcc s HIS 81 N 1.64 0.17 -0.50 3.88 5.04 -1.26 -5.12 115.29 119.14 2kcc s HIS 81 Ca 0.06 -0.35 -0.11 0.00 -1.54 0.00 0.00 55.06 53.12 2kcc s HIS 81 Cb -0.17 -0.13 0.12 0.00 0.04 0.00 0.00 32.58 32.44 2kcc s HIS 81 CO -0.19 -0.19 0.40 -1.58 -2.34 0.00 0.00 174.74 170.85 2kcc s HIS 82 N -1.22 3.37 -0.30 3.88 2.46 -1.26 -5.00 115.29 117.23 2kcc s HIS 82 Ca -0.13 -1.69 -0.15 0.00 0.47 0.00 0.00 55.06 53.56 2kcc s HIS 82 Cb -0.08 -3.60 0.16 0.00 -0.13 0.00 0.00 32.58 28.93 2kcc s HIS 82 CO -0.00 -1.00 1.00 -1.58 -2.47 0.00 0.00 174.74 170.68 2kcc s HIS 83 N 1.42 -0.63 -2.00 3.88 5.04 -1.26 -5.38 115.29 116.35 2kcc s HIS 83 Ca 0.05 1.13 0.19 0.00 -1.54 0.00 0.00 55.06 54.89 2kcc s HIS 83 Cb -0.27 0.38 1.16 0.00 0.04 0.00 0.00 32.58 33.89 2kcc s HIS 83 CO 0.00 -0.31 1.55 -2.39 -2.34 0.00 0.00 174.74 171.25