#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 3.83 -3.43 3.17 1.02 -1.26 -4.73 120.64 119.24 2kcc n GLU 2 Ca 0.00 -2.44 0.02 0.00 -0.02 0.00 0.00 57.16 54.72 2kcc n GLU 2 Cb 0.00 -2.79 -0.05 0.00 -0.02 0.00 0.00 31.44 28.58 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 1.90 -0.30 0.02 1.62 2.47 -1.26 -5.18 114.94 114.20 2kcc s ASN 3 Ca 0.66 0.44 -0.26 0.00 0.42 0.00 0.00 52.86 54.12 2kcc s ASN 3 Cb 0.18 1.27 0.06 0.00 -1.45 0.00 0.00 41.25 41.31 2kcc s ASN 3 CO -0.07 -0.06 0.61 -1.81 -3.72 0.00 0.00 177.10 172.05 2kcc s ASP 4 N 1.83 -0.57 0.43 -4.21 1.01 -1.26 -5.04 116.67 108.85 2kcc s ASP 4 Ca -0.04 0.40 0.21 0.00 0.71 0.00 0.00 52.55 53.83 2kcc s ASP 4 Cb -0.03 0.53 0.97 0.00 1.01 0.00 0.00 42.92 45.40 2kcc s ASP 4 CO -0.15 -0.71 1.87 1.55 0.21 0.00 0.00 175.17 177.94 2kcc h PRO 5 N 2.76 0.00 -1.64 8.23 0.13 -2.02 -3.12 132.00 136.33 2kcc h PRO 5 Ca -0.30 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.44 2kcc h PRO 5 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 2kcc h PRO 5 CO 0.39 0.27 0.42 0.25 -0.23 0.00 0.00 178.00 179.11 2kcc n THR 6 N -3.66 2.98 -3.66 1.56 -2.24 -1.26 -4.77 114.28 103.22 2kcc n THR 6 Ca -0.01 -2.11 -0.12 0.00 -2.27 0.00 0.00 64.05 59.55 2kcc n THR 6 Cb 0.39 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 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 -0.46 0.08 2.28 1.01 -1.18 -3.10 120.40 116.65 2kcc s VAL 7 Ca 0.41 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2kcc s VAL 7 Cb 0.30 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 2kcc s VAL 7 CO -0.07 0.10 0.55 -0.22 0.00 0.00 0.00 175.10 175.46 2kcc s LEU 8 N 2.41 4.48 -0.12 3.92 1.98 -0.52 -4.82 118.68 126.00 2kcc s LEU 8 Ca -0.00 1.20 -0.13 0.00 -2.89 0.00 0.00 54.13 52.31 2kcc s LEU 8 Cb -0.12 -2.96 0.03 0.00 0.66 0.00 0.00 46.19 43.81 2kcc s LEU 8 CO -0.10 0.24 0.36 -0.13 -1.89 0.00 0.00 176.35 174.83 2kcc s ARG 9 N -1.30 0.46 0.46 1.98 0.52 -1.26 -2.63 118.95 117.19 2kcc s ARG 9 Ca 0.31 0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 55.70 2kcc s ARG 9 Cb -0.18 0.22 -0.07 0.00 0.52 0.00 0.00 34.95 35.44 2kcc s ARG 9 CO 0.19 -0.07 1.20 -1.54 0.02 0.00 0.00 175.30 175.10 2kcc s SER 10 N -0.01 6.08 0.21 0.23 1.04 -0.38 -4.85 113.70 116.03 2kcc s SER 10 Ca -0.02 2.40 0.06 0.00 0.48 0.00 0.00 55.95 58.87 2kcc s SER 10 Cb -0.03 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.64 2kcc s SER 10 CO 0.01 -0.99 1.49 1.55 0.98 0.00 0.00 173.24 176.29 2kcc h PRO 11 N 2.06 0.14 0.00 4.02 0.13 -1.92 -1.89 132.00 134.55 2kcc h PRO 11 Ca -0.50 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.39 2kcc h PRO 11 Cb 1.25 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2kcc h PRO 11 CO 0.60 0.80 0.01 -1.13 -0.23 0.00 0.00 178.00 178.05 2kcc n SER 12 N -3.75 -1.11 -4.68 1.44 3.41 -1.26 -4.55 113.62 103.13 2kcc n SER 12 Ca -0.02 -2.14 -0.43 0.00 -0.26 0.00 0.00 58.87 56.02 2kcc n SER 12 Cb 0.70 1.95 -0.02 0.00 -0.26 0.00 0.00 64.21 66.58 2kcc n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kcc s ALA 13 N -2.09 3.56 0.00 7.33 0.00 -1.26 -3.45 121.76 125.85 2kcc s ALA 13 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2kcc s ALA 13 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kcc s ALA 13 CO 0.11 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2kcc n GLY 14 N 3.44 4.67 3.62 0.00 0.00 0.29 -4.88 105.19 112.32 2kcc n GLY 14 Ca 0.12 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 4.91 0.78 -0.69 1.61 2.36 -1.18 -1.77 119.74 125.76 2kcc s LYS 15 Ca 0.00 0.77 -0.26 0.00 -2.55 0.00 0.00 55.97 53.94 2kcc s LYS 15 Cb 0.00 0.38 -0.04 0.00 -1.05 0.00 0.00 37.83 37.12 2kcc s LYS 15 CO 0.00 -0.12 1.98 -1.17 1.55 0.00 0.00 175.35 177.58 2kcc s LEU 16 N 0.08 3.25 0.03 5.43 2.96 -0.63 -1.78 118.68 128.02 2kcc s LEU 16 Ca -0.01 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 2kcc s LEU 16 Cb -0.04 -2.54 -0.24 0.00 0.50 0.00 0.00 46.19 43.87 2kcc s LEU 16 CO 0.01 -2.62 1.12 0.00 -1.32 0.00 0.00 176.35 173.54 2kcc h THR 17 N 7.12 1.36 -0.99 3.68 1.03 -1.87 -3.30 112.91 119.95 2kcc h THR 17 Ca -0.15 -2.19 0.00 0.00 -0.01 0.00 0.00 66.41 64.06 2kcc h THR 17 Cb 1.12 2.55 0.00 0.00 -1.07 0.00 0.00 68.15 70.75 2kcc h THR 17 CO 1.20 0.65 0.00 0.00 -0.01 0.00 0.00 175.52 177.36 2kcc n GLN 18 N -4.05 0.00 -3.75 0.00 1.13 -1.25 -4.98 117.38 104.49 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 0.78 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 31.03 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 -3.93 -0.37 -0.57 1.08 -0.85 -1.26 -3.15 117.35 108.31 2kcc s TYR 19 Ca 0.00 0.88 0.22 0.00 -0.52 0.00 0.00 57.07 57.65 2kcc s TYR 19 Cb 0.00 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 2kcc s TYR 19 CO 0.00 -0.21 0.93 0.25 -1.52 0.00 0.00 175.55 175.00 2kcc n THR 20 N 2.71 0.13 -3.76 -3.49 -2.24 -1.12 -4.93 114.28 101.58 2kcc n THR 20 Ca -0.14 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2kcc n THR 20 Cb 0.57 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.03 1.03 2.28 -7.23 -1.19 -4.97 120.40 107.13 2kcc s VAL 21 Ca 0.02 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.73 2kcc s VAL 21 Cb 0.14 -0.56 0.26 0.00 0.56 0.00 0.00 36.38 36.78 2kcc s VAL 21 CO 0.83 -0.16 0.86 -1.84 -0.31 0.00 0.00 175.10 174.48 2kcc n GLU 22 N 1.91 -3.03 -1.68 4.82 0.28 -1.26 -4.78 120.64 116.90 2kcc n GLU 22 Ca -0.18 -1.38 -0.42 0.00 -0.16 0.00 0.00 57.16 55.01 2kcc n GLU 22 Cb 0.57 -1.37 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2kcc n ASP 23 N -4.66 4.09 -0.43 -1.84 5.75 -1.26 -1.59 116.55 116.61 2kcc n ASP 23 Ca 0.12 0.97 -0.04 0.00 -0.01 0.00 0.00 54.79 55.83 2kcc n ASP 23 Cb 0.48 -1.54 -0.00 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 4.31 0.29 3.65 6.12 0.00 0.31 -4.97 105.19 114.90 2kcc n GLY 24 Ca 0.18 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.84 1.41 -0.02 -0.02 0.00 -0.62 -4.51 107.32 100.72 2kcc s GLY 25 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 44.72 45.24 2kcc s GLY 25 CO 0.00 3.07 1.90 -2.38 0.00 0.00 0.00 173.10 175.69 2kcc s HIS 26 N 4.51 1.46 -0.09 1.90 -3.43 -1.26 -1.91 115.29 116.46 2kcc s HIS 26 Ca 0.74 -0.19 -0.07 0.00 -0.80 0.00 0.00 55.06 54.75 2kcc s HIS 26 Cb -0.31 -4.13 0.03 0.00 -1.43 0.00 0.00 32.58 26.74 2kcc s HIS 26 CO 0.30 -4.95 0.23 0.14 -2.00 0.00 0.00 174.74 168.46 2kcc s VAL 27 N 4.73 -0.02 0.60 -5.38 -7.23 -0.88 -4.97 120.40 107.25 2kcc s VAL 27 Ca 0.85 0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 61.01 2kcc s VAL 27 Cb -0.39 -0.35 -0.00 0.00 0.56 0.00 0.00 36.38 36.20 2kcc s VAL 27 CO 0.38 0.03 0.93 -1.83 -0.31 0.00 0.00 175.10 174.29 2kcc s GLU 28 N 0.60 3.07 -0.12 4.82 -1.05 -1.26 -2.31 118.70 122.44 2kcc s GLU 28 Ca -0.04 0.18 -0.39 0.00 -0.15 0.00 0.00 54.97 54.57 2kcc s GLU 28 Cb -0.05 -2.23 -0.16 0.00 -0.44 0.00 0.00 34.13 31.25 2kcc s GLU 28 CO -0.03 -0.67 1.56 0.00 0.95 0.00 0.00 175.26 177.08 2kcc n ALA 29 N -2.62 -0.58 0.00 -0.84 0.00 -1.15 -0.43 120.51 114.90 2kcc n ALA 29 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2kcc n ALA 29 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 3.45 3.05 3.69 0.00 0.00 0.02 -4.91 105.19 110.49 2kcc n GLY 30 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2kcc n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcc s SER 31 N 0.01 6.89 0.34 1.61 0.01 0.43 -4.71 113.70 118.28 2kcc s SER 31 Ca 0.00 2.05 -0.28 0.00 1.31 0.00 0.00 55.95 59.03 2kcc s SER 31 Cb 0.00 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 2kcc s SER 31 CO 0.00 -0.69 1.30 -0.94 0.41 0.00 0.00 173.24 173.32 2kcc s SER 32 N 1.78 6.74 -0.00 2.44 1.04 -1.26 -2.74 113.70 121.70 2kcc s SER 32 Ca 0.62 2.67 0.06 0.00 0.48 0.00 0.00 55.95 59.78 2kcc s SER 32 Cb -0.30 -2.65 -0.08 0.00 0.10 0.00 0.00 66.02 63.09 2kcc s SER 32 CO 0.26 -0.55 0.23 0.00 0.98 0.00 0.00 173.24 174.15 2kcc n TYR 33 N 0.73 0.00 -3.65 5.02 4.11 0.29 -4.78 117.16 118.89 2kcc n TYR 33 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2kcc n TYR 33 Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 2kcc n TYR 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kcc n ALA 34 N -1.32 -0.30 -2.62 -3.48 0.00 -1.05 -2.81 120.51 108.93 2kcc n ALA 34 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 2kcc n ALA 34 Cb 0.12 0.04 -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 -2.00 1.05 -0.17 0.00 2.02 -1.19 -0.13 118.70 118.27 2kcc s GLU 35 Ca 0.03 -1.14 -0.09 0.00 0.02 0.00 0.00 54.97 53.79 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 -0.36 0.42 0.00 0.02 0.00 0.00 175.26 175.33 2kcc s MET 36 N -3.94 0.39 -0.11 1.61 0.23 0.32 -2.90 119.30 114.89 2kcc s MET 36 Ca 0.14 0.82 -0.20 0.00 -1.03 0.00 0.00 55.69 55.42 2kcc s MET 36 Cb 0.04 0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.31 2kcc s MET 36 CO -0.03 -0.17 0.57 -2.00 -2.03 0.00 0.00 175.02 171.37 2kcc s GLU 37 N 1.53 4.35 0.03 3.16 2.12 -0.73 -1.93 118.70 127.23 2kcc s GLU 37 Ca -0.09 0.61 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 2kcc s GLU 37 Cb -0.09 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 2kcc s GLU 37 CO -0.13 0.06 0.14 0.54 -0.54 0.00 0.00 175.26 175.33 2kcc s VAL 38 N 0.89 0.11 -0.78 3.70 0.11 -0.60 -3.09 120.40 120.74 2kcc s VAL 38 Ca 0.30 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 2kcc s VAL 38 Cb -0.16 -0.80 0.10 0.00 -1.53 0.00 0.00 36.38 33.99 2kcc s VAL 38 CO 0.13 -0.52 0.25 0.23 -3.33 0.00 0.00 175.10 171.86 2kcc n MET 39 N 0.89 -1.21 0.00 1.54 2.81 -1.26 0.21 117.12 120.09 2kcc n MET 39 Ca -0.20 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2kcc n MET 39 Cb 0.58 -2.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.40 2kcc n MET 39 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kcc n LYS 40 N -2.23 0.00 -3.31 0.03 4.76 -1.26 -4.98 118.16 111.17 2kcc n LYS 40 Ca 0.05 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 2kcc n LYS 40 Cb 0.27 -0.85 -0.06 0.00 -1.84 0.00 0.00 35.03 32.55 2kcc n LYS 40 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2kcc s MET 41 N -0.00 4.23 0.39 1.97 1.75 0.56 -5.07 119.30 123.13 2kcc s MET 41 Ca 0.00 0.58 -0.17 0.00 -1.25 0.00 0.00 55.69 54.85 2kcc s MET 41 Cb 0.00 -3.33 -0.09 0.00 2.84 0.00 0.00 34.83 34.24 2kcc s MET 41 CO 0.00 0.40 0.85 -1.50 -0.65 0.00 0.00 175.02 174.12 2kcc s ILE 42 N -0.23 4.57 0.02 10.11 1.10 -1.26 -1.55 121.20 133.95 2kcc s ILE 42 Ca 0.28 1.14 -0.07 0.00 -0.51 0.00 0.00 60.65 61.49 2kcc s ILE 42 Cb -0.17 -3.63 -0.00 0.00 0.15 0.00 0.00 42.46 38.80 2kcc s ILE 42 CO 0.14 -0.33 0.12 -0.04 -2.11 0.00 0.00 174.94 172.72 2kcc s MET 43 N -3.28 0.55 -0.10 3.50 -1.94 -0.81 -4.95 119.30 112.26 2kcc s MET 43 Ca 0.57 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 2kcc s MET 43 Cb -0.10 0.22 -0.00 0.00 2.01 0.00 0.00 34.83 36.96 2kcc s MET 43 CO 0.19 -0.14 -0.23 0.99 -0.01 0.00 0.00 175.02 175.82 2kcc s THR 44 N -2.06 2.12 -0.06 2.05 2.01 -1.26 -0.52 115.64 117.92 2kcc s THR 44 Ca -0.09 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 2kcc s THR 44 Cb -0.04 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 2kcc s THR 44 CO -0.02 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.16 2kcc s LEU 45 N 0.36 4.37 0.36 4.42 1.02 0.82 -4.94 118.68 125.08 2kcc s LEU 45 Ca -0.18 0.89 0.03 0.00 0.02 0.00 0.00 54.13 54.90 2kcc s LEU 45 Cb -0.18 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 2kcc s LEU 45 CO 0.08 0.16 0.11 0.54 0.02 0.00 0.00 176.35 177.26 2kcc s ASN 46 N -0.19 2.33 0.20 2.29 6.03 -1.26 0.11 114.94 124.44 2kcc s ASN 46 Ca 0.25 -1.55 -0.07 0.00 -1.03 0.00 0.00 52.86 50.46 2kcc s ASN 46 Cb -0.16 0.30 -0.06 0.00 -3.03 0.00 0.00 41.25 38.30 2kcc s ASN 46 CO 0.12 -0.82 0.46 0.68 -2.03 0.00 0.00 177.10 175.51 2kcc s VAL 47 N -3.35 5.06 -0.73 3.54 -7.23 -1.11 -4.86 120.40 111.72 2kcc s VAL 47 Ca 0.30 0.19 0.25 0.00 -1.81 0.00 0.00 61.98 60.92 2kcc s VAL 47 Cb 0.05 -3.64 0.13 0.00 0.56 0.00 0.00 36.38 33.48 2kcc s VAL 47 CO 0.15 -0.05 1.51 0.00 -0.31 0.00 0.00 175.10 176.40 2kcc n GLN 48 N -0.14 0.23 -3.95 4.82 0.00 -1.26 -0.80 117.38 116.29 2kcc n GLN 48 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 57.00 56.99 2kcc n GLN 48 Cb 0.52 -1.69 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 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 -3.12 1.97 0.23 2.61 2.02 -1.26 -4.77 118.70 116.38 2kcc s GLU 49 Ca 0.09 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.29 2kcc s GLU 49 Cb 0.14 0.53 -0.09 0.00 0.10 0.00 0.00 34.13 34.81 2kcc s GLU 49 CO 0.67 -0.87 1.33 1.03 0.02 0.00 0.00 175.26 177.44 2kcc s ARG 50 N -3.00 4.37 0.00 1.61 3.00 -1.26 -2.92 118.95 120.74 2kcc s ARG 50 Ca 0.22 2.12 0.00 0.00 0.00 0.00 0.00 55.73 58.07 2kcc s ARG 50 Cb -0.03 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.76 2kcc s ARG 50 CO 0.14 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.58 2kcc n GLY 51 N 2.08 1.73 3.74 -3.53 0.00 -0.98 -4.63 105.19 103.60 2kcc n GLY 51 Ca 0.05 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.97 4.25 -0.05 1.61 0.52 -1.19 -2.08 118.95 120.04 2kcc s ARG 52 Ca 0.00 0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 55.17 2kcc s ARG 52 Cb 0.00 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2kcc s ARG 52 CO 0.00 0.25 0.91 0.08 0.02 0.00 0.00 175.30 176.56 2kcc s VAL 53 N 0.39 4.89 -0.30 3.52 1.01 -0.80 0.64 120.40 129.75 2kcc s VAL 53 Ca 0.20 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 64.07 2kcc s VAL 53 Cb -0.14 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2kcc s VAL 53 CO 0.07 0.14 -0.01 -0.54 0.00 0.00 0.00 175.10 174.76 2kcc s LYS 54 N 1.23 2.34 0.23 2.72 1.02 0.30 0.11 119.74 127.70 2kcc s LYS 54 Ca 0.47 -1.33 -0.32 0.00 0.02 0.00 0.00 55.97 54.82 2kcc s LYS 54 Cb -0.19 -3.14 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 2kcc s LYS 54 CO 0.23 -0.64 1.60 0.66 -0.92 0.00 0.00 175.35 176.28 2kcc n TYR 55 N 4.57 2.59 -0.07 3.18 4.02 -1.26 0.07 117.16 130.25 2kcc n TYR 55 Ca -0.12 0.23 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 2kcc n TYR 55 Cb 0.43 -2.58 -0.04 0.00 -0.02 0.00 0.00 39.34 37.12 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 2.87 1.28 -1.30 -0.72 -0.00 -1.15 -4.89 119.36 115.45 2kcc n ILE 56 Ca 0.13 -0.01 -0.29 0.00 -0.00 0.00 0.00 62.75 62.58 2kcc n ILE 56 Cb 0.34 -1.97 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 0.15 0.44 0.38 -0.14 -1.25 -5.04 119.74 111.75 2kcc s LYS 57 Ca -0.24 0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 54.58 2kcc s LYS 57 Cb 0.06 -1.73 -0.01 0.00 -1.68 0.00 0.00 37.83 34.47 2kcc s LYS 57 CO 0.33 -2.85 0.67 1.03 -0.76 0.00 0.00 175.35 173.77 2kcc s ARG 58 N -5.24 3.17 0.14 1.68 3.00 -1.26 -5.03 118.95 115.40 2kcc s ARG 58 Ca 0.67 -0.39 -0.31 0.00 0.00 0.00 0.00 55.73 55.70 2kcc s ARG 58 Cb -0.14 -2.55 -0.09 0.00 0.00 0.00 0.00 34.95 32.17 2kcc s ARG 58 CO 0.56 -0.21 1.49 -1.25 0.00 0.00 0.00 175.30 175.89 2kcc s PRO 59 N -4.54 4.26 0.00 3.54 0.04 -1.26 -2.30 135.00 134.74 2kcc s PRO 59 Ca 0.47 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kcc s PRO 59 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2kcc s PRO 59 CO 0.38 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2kcc n GLY 60 N 3.65 2.70 3.67 0.56 0.00 -1.24 -5.02 105.19 109.51 2kcc n GLY 60 Ca 0.13 0.00 -0.40 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 -1.01 0.92 -2.62 4.61 0.00 -0.97 -4.30 120.51 117.13 2kcc n ALA 61 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2kcc n ALA 61 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.29 4.61 0.20 0.00 -7.23 -1.26 -1.61 120.40 113.83 2kcc s VAL 62 Ca 0.66 1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 62.47 2kcc s VAL 62 Cb -0.49 -4.22 -0.08 0.00 0.56 0.00 0.00 36.38 32.16 2kcc s VAL 62 CO 0.54 0.03 0.81 -0.76 -0.31 0.00 0.00 175.10 175.41 2kcc s LEU 63 N 1.87 4.54 0.21 1.32 1.43 -0.73 -4.89 118.68 122.42 2kcc s LEU 63 Ca 0.51 1.67 0.10 0.00 -1.03 0.00 0.00 54.13 55.38 2kcc s LEU 63 Cb -0.21 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2kcc s LEU 63 CO 0.21 0.15 -0.14 -0.70 0.23 0.00 0.00 176.35 176.10 2kcc s GLU 64 N -1.38 1.89 -0.38 1.70 2.12 -1.26 0.10 118.70 121.50 2kcc s GLU 64 Ca 0.39 -1.42 -0.27 0.00 0.36 0.00 0.00 54.97 54.03 2kcc s GLU 64 Cb -0.22 -2.02 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 2kcc s GLU 64 CO 0.26 0.40 2.19 0.00 -0.54 0.00 0.00 175.26 177.57 2kcc s ALA 65 N -1.88 2.28 0.00 6.30 0.00 -1.22 -1.06 121.76 126.18 2kcc s ALA 65 Ca 0.25 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2kcc s ALA 65 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2kcc s ALA 65 CO 0.14 -3.52 0.00 0.41 0.00 0.00 0.00 175.76 172.80 2kcc n GLY 66 N 5.80 1.35 3.75 0.00 0.00 -0.71 -4.94 105.19 110.45 2kcc n GLY 66 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.49 3.92 -0.26 0.00 1.01 -1.26 -1.24 120.40 121.07 2kcc s VAL 68 Ca 0.73 0.42 0.19 0.00 0.00 0.00 0.00 61.98 63.32 2kcc s VAL 68 Cb -0.33 -4.81 0.13 0.00 0.00 0.00 0.00 36.38 31.37 2kcc s VAL 68 CO 0.38 -1.63 1.40 0.58 0.00 0.00 0.00 175.10 175.83 2kcc h VAL 69 N 6.05 0.44 -1.68 2.92 2.07 -1.83 -3.37 116.25 120.86 2kcc h VAL 69 Ca -0.27 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2kcc h VAL 69 Cb 1.06 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2kcc h VAL 69 CO 1.23 0.25 0.00 0.00 0.02 0.00 0.00 177.57 179.07 2kcc n ALA 70 N -2.19 0.00 -3.01 1.67 0.00 -1.22 -2.91 120.51 112.85 2kcc n ALA 70 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2kcc n ALA 70 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.94 0.24 -0.25 0.00 1.81 0.11 -1.44 118.95 117.48 2kcc s ARG 71 Ca 0.00 -0.09 -0.15 0.00 -1.72 0.00 0.00 55.73 53.78 2kcc s ARG 71 Cb 0.00 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 2kcc s ARG 71 CO 0.00 -0.04 0.35 -0.51 -0.68 0.00 0.00 175.30 174.42 2kcc s LEU 72 N -0.50 4.07 -1.23 2.53 2.01 -1.18 0.11 118.68 124.50 2kcc s LEU 72 Ca -0.06 0.32 -0.13 0.00 0.01 0.00 0.00 54.13 54.27 2kcc s LEU 72 Cb -0.04 -2.41 0.17 0.00 0.01 0.00 0.00 46.19 43.93 2kcc s LEU 72 CO 0.00 -0.13 1.54 1.21 1.01 0.00 0.00 176.35 179.98 2kcc n GLU 73 N 5.01 3.42 -0.53 1.70 4.07 0.21 -4.59 120.64 129.93 2kcc n GLU 73 Ca -0.09 -3.77 -0.30 0.00 -0.06 0.00 0.00 57.16 52.94 2kcc n GLU 73 Cb 0.51 -3.03 0.27 0.00 -0.06 0.00 0.00 31.44 29.13 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 1.28 -0.36 -0.45 4.31 2.01 -1.26 -3.15 118.68 121.06 2kcc s LEU 74 Ca 0.42 0.99 0.02 0.00 0.01 0.00 0.00 54.13 55.57 2kcc s LEU 74 Cb -0.00 -2.59 0.21 0.00 0.01 0.00 0.00 46.19 43.83 2kcc s LEU 74 CO 0.00 -4.89 0.91 -0.90 1.01 0.00 0.00 176.35 172.49 2kcc n ASP 75 N -5.32 -2.60 -4.84 2.29 5.75 -1.26 -4.95 116.55 105.61 2kcc n ASP 75 Ca 0.10 -2.28 -0.30 0.00 -0.01 0.00 0.00 54.79 52.30 2kcc n ASP 75 Cb 0.58 1.37 0.08 0.00 -1.03 0.00 0.00 41.12 42.13 2kcc n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kcc s ASP 76 N 0.45 4.76 -0.30 -1.12 2.15 -1.26 -4.94 116.67 116.42 2kcc s ASP 76 Ca 0.28 1.16 -0.03 0.00 0.43 0.00 0.00 52.55 54.39 2kcc s ASP 76 Cb 0.09 -1.88 0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2kcc s ASP 76 CO -0.10 -1.78 2.67 -0.11 -0.17 0.00 0.00 175.17 175.68 2kcc n LEU 77 N -3.29 6.15 -3.35 -1.34 7.94 -1.26 -4.72 117.00 117.12 2kcc n LEU 77 Ca 0.07 -3.56 0.02 0.00 -1.11 0.00 0.00 56.01 51.43 2kcc n LEU 77 Cb 0.57 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 2kcc n LEU 77 CO 0.57 1.53 0.42 -0.70 -1.11 0.00 0.00 177.39 178.11 2kcc s GLU 78 N -1.09 0.40 0.71 1.96 2.56 -1.26 -5.18 118.70 116.80 2kcc s GLU 78 Ca 0.48 0.88 -0.00 0.00 0.00 0.00 0.00 54.97 56.33 2kcc s GLU 78 Cb 0.30 0.52 0.12 0.00 2.00 0.00 0.00 34.13 37.08 2kcc s GLU 78 CO -0.10 -0.26 0.98 -3.38 -0.56 0.00 0.00 175.26 171.94 2kcc s HIS 79 N 2.74 1.59 0.39 5.30 -3.43 -1.26 -5.13 115.29 115.48 2kcc s HIS 79 Ca 0.02 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 54.03 2kcc s HIS 79 Cb -0.10 -2.95 -0.03 0.00 -1.43 0.00 0.00 32.58 28.07 2kcc s HIS 79 CO -0.17 -1.67 0.15 -3.38 -2.00 0.00 0.00 174.74 167.66 2kcc s HIS 80 N -3.11 1.77 0.25 0.38 -3.43 -1.26 -5.18 115.29 104.70 2kcc s HIS 80 Ca 0.66 -1.33 0.02 0.00 -0.80 0.00 0.00 55.06 53.61 2kcc s HIS 80 Cb -0.05 -1.08 -0.01 0.00 -1.43 0.00 0.00 32.58 30.01 2kcc s HIS 80 CO 0.44 -0.38 0.06 0.72 -2.00 0.00 0.00 174.74 173.58 2kcc n HIS 81 N -0.84 0.26 -4.07 0.38 8.25 -1.26 -5.17 115.22 112.77 2kcc n HIS 81 Ca -0.04 -1.45 -0.13 0.00 -0.26 0.00 0.00 57.72 55.85 2kcc n HIS 81 Cb 0.65 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 2kcc n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcc s HIS 82 N -2.28 0.69 0.89 4.41 2.46 -1.26 -5.16 115.29 115.03 2kcc s HIS 82 Ca 0.08 -0.54 -0.15 0.00 0.47 0.00 0.00 55.06 54.92 2kcc s HIS 82 Cb 0.00 -0.41 0.21 0.00 -0.13 0.00 0.00 32.58 32.25 2kcc s HIS 82 CO 0.06 -0.09 1.21 -2.39 -2.47 0.00 0.00 174.74 171.06 2kcc n HIS 83 N 1.33 -4.00 1.47 3.88 1.44 -1.26 -5.39 115.22 112.69 2kcc n HIS 83 Ca -0.22 -1.07 0.12 0.00 -2.01 0.00 0.00 57.72 54.54 2kcc n HIS 83 Cb 0.55 -0.94 0.70 0.00 0.12 0.00 0.00 29.99 30.42 2kcc n HIS 83 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25