#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 3.89 -0.29 0.03 8.01 -1.26 -4.97 118.70 124.11 2kcc s GLU 2 Ca 0.00 0.74 -0.18 0.00 0.01 0.00 0.00 54.97 55.55 2kcc s GLU 2 Cb 0.00 -3.80 0.15 0.00 -4.31 0.00 0.00 34.13 26.17 2kcc s GLU 2 CO 0.00 -1.03 1.02 -0.80 0.01 0.00 0.00 175.26 174.47 2kcc s ASN 3 N 1.93 -0.44 0.19 -0.19 0.01 -1.26 -5.17 114.94 110.01 2kcc s ASN 3 Ca 0.43 0.73 -0.20 0.00 -0.71 0.00 0.00 52.86 53.11 2kcc s ASN 3 Cb -0.11 1.11 0.04 0.00 0.41 0.00 0.00 41.25 42.70 2kcc s ASN 3 CO 0.20 -0.12 0.58 -1.81 -1.51 0.00 0.00 177.10 174.44 2kcc s ASP 4 N 1.12 -0.38 0.37 -1.22 1.01 -1.26 -5.05 116.67 111.26 2kcc s ASP 4 Ca -0.07 -0.30 0.16 0.00 0.71 0.00 0.00 52.55 53.06 2kcc s ASP 4 Cb -0.04 0.60 0.73 0.00 1.01 0.00 0.00 42.92 45.23 2kcc s ASP 4 CO -0.13 -1.05 1.79 1.55 0.21 0.00 0.00 175.17 177.53 2kcc h PRO 5 N 2.10 0.00 -1.35 8.23 0.13 -2.02 -3.08 132.00 136.01 2kcc h PRO 5 Ca -0.30 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.49 2kcc h PRO 5 Cb 1.28 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 2kcc h PRO 5 CO 0.36 0.38 0.45 0.25 -0.23 0.00 0.00 178.00 179.21 2kcc n THR 6 N -3.78 2.72 -3.68 1.56 -2.24 -1.26 -4.80 114.28 102.80 2kcc n THR 6 Ca -0.01 -1.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.02 2kcc n THR 6 Cb 0.46 -1.17 -0.12 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.41 -0.35 0.08 2.28 1.01 -1.16 -3.34 120.40 116.49 2kcc s VAL 7 Ca 0.34 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2kcc s VAL 7 Cb 0.27 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 36.09 2kcc s VAL 7 CO 0.01 0.09 0.57 -0.22 0.00 0.00 0.00 175.10 175.55 2kcc s LEU 8 N 2.14 4.52 -0.14 3.92 1.98 -1.00 -4.80 118.68 125.31 2kcc s LEU 8 Ca -0.02 1.26 -0.12 0.00 -2.89 0.00 0.00 54.13 52.35 2kcc s LEU 8 Cb -0.11 -2.92 0.04 0.00 0.66 0.00 0.00 46.19 43.85 2kcc s LEU 8 CO -0.10 0.27 0.37 -0.13 -1.89 0.00 0.00 176.35 174.87 2kcc s ARG 9 N -1.16 0.42 0.50 1.98 0.52 -1.26 -2.91 118.95 117.03 2kcc s ARG 9 Ca 0.30 0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 55.84 2kcc s ARG 9 Cb -0.19 0.17 -0.06 0.00 0.52 0.00 0.00 34.95 35.38 2kcc s ARG 9 CO 0.19 -0.07 1.17 -1.12 0.02 0.00 0.00 175.30 175.49 2kcc s SER 10 N 0.38 5.90 0.34 0.23 0.01 -1.16 -4.91 113.70 114.49 2kcc s SER 10 Ca -0.01 2.30 0.17 0.00 1.31 0.00 0.00 55.95 59.72 2kcc s SER 10 Cb -0.04 -2.60 0.52 0.00 0.21 0.00 0.00 66.02 64.12 2kcc s SER 10 CO -0.01 -1.10 1.66 1.55 0.41 0.00 0.00 173.24 175.74 2kcc h PRO 11 N 1.67 0.00 -3.63 12.44 0.13 -1.94 -3.07 132.00 137.60 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 0.59 0.43 -0.03 -1.12 -0.23 0.00 0.00 178.00 177.64 2kcc s SER 12 N -6.47 0.29 0.00 1.44 0.01 -1.26 -4.69 113.70 103.02 2kcc s SER 12 Ca 0.01 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.80 2kcc s SER 12 Cb 0.10 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.98 2kcc s SER 12 CO 0.71 -1.34 1.15 0.00 0.41 0.00 0.00 173.24 174.16 2kcc s ALA 13 N -3.25 3.38 0.00 1.44 0.00 -1.26 -3.61 121.76 118.46 2kcc s ALA 13 Ca 0.23 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2kcc s ALA 13 Cb -0.02 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kcc s ALA 13 CO 0.14 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kcc n GLY 14 N 3.20 4.24 3.63 0.00 0.00 0.88 -4.83 105.19 112.31 2kcc n GLY 14 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 4.38 0.74 -0.67 1.61 2.36 -1.25 -1.33 119.74 125.57 2kcc s LYS 15 Ca 0.00 0.89 -0.26 0.00 -2.55 0.00 0.00 55.97 54.05 2kcc s LYS 15 Cb 0.00 0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 37.10 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 0.37 3.25 0.05 5.43 2.96 -0.78 -2.03 118.68 127.94 2kcc s LEU 16 Ca 0.01 0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 2kcc s LEU 16 Cb -0.05 -2.53 -0.24 0.00 0.50 0.00 0.00 46.19 43.87 2kcc s LEU 16 CO -0.02 -2.62 1.15 0.00 -1.32 0.00 0.00 176.35 173.55 2kcc h THR 17 N 7.13 1.33 -0.78 3.68 1.03 -1.86 -3.28 112.91 120.16 2kcc h THR 17 Ca -0.16 -2.20 0.00 0.00 -0.01 0.00 0.00 66.41 64.04 2kcc h THR 17 Cb 1.13 2.48 0.00 0.00 -1.07 0.00 0.00 68.15 70.69 2kcc h THR 17 CO 1.20 0.67 0.00 1.67 -0.01 0.00 0.00 175.52 179.04 2kcc n GLN 18 N -3.98 0.00 -3.75 0.00 7.27 -1.24 -4.97 117.38 110.70 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.83 2kcc n GLN 18 Cb 0.82 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.36 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 -3.09 -0.36 -0.51 3.69 -0.85 -1.26 -3.29 117.35 111.67 2kcc s TYR 19 Ca 0.00 0.86 0.22 0.00 -0.52 0.00 0.00 57.07 57.64 2kcc s TYR 19 Cb 0.00 0.13 -0.09 0.00 0.38 0.00 0.00 41.96 42.38 2kcc s TYR 19 CO 0.00 -0.21 0.88 0.25 -1.52 0.00 0.00 175.55 174.95 2kcc n THR 20 N 2.69 0.13 -3.76 -3.49 -2.24 -1.13 -4.92 114.28 101.56 2kcc n THR 20 Ca -0.14 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2kcc n THR 20 Cb 0.57 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.25 0.03 1.11 2.28 -7.23 -1.20 -4.96 120.40 107.18 2kcc s VAL 21 Ca 0.01 -0.28 -0.19 0.00 -1.81 0.00 0.00 61.98 59.72 2kcc s VAL 21 Cb 0.14 -0.55 0.28 0.00 0.56 0.00 0.00 36.38 36.81 2kcc s VAL 21 CO 0.84 -0.15 0.92 -1.84 -0.31 0.00 0.00 175.10 174.56 2kcc n GLU 22 N 1.95 -3.14 -1.70 4.82 0.28 -1.26 -4.79 120.64 116.81 2kcc n GLU 22 Ca -0.18 -1.49 -0.42 0.00 -0.16 0.00 0.00 57.16 54.91 2kcc n GLU 22 Cb 0.57 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.94 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 -4.77 4.08 -0.55 -1.84 2.03 -1.26 -1.59 116.55 112.65 2kcc n ASP 23 Ca 0.13 1.00 -0.05 0.00 0.52 0.00 0.00 54.79 56.39 2kcc n ASP 23 Cb 0.52 -1.56 -0.01 0.00 -0.72 0.00 0.00 41.12 39.35 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 4.20 0.36 3.62 0.27 0.00 0.31 -4.96 105.19 108.99 2kcc n GLY 24 Ca 0.18 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.82 1.09 0.04 -0.02 0.00 -0.62 -4.48 107.32 100.52 2kcc s GLY 25 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 2kcc s GLY 25 CO 0.00 3.10 1.84 -1.58 0.00 0.00 0.00 173.10 176.46 2kcc s HIS 26 N 5.70 1.74 -0.09 1.90 2.46 -1.26 -2.58 115.29 123.16 2kcc s HIS 26 Ca 0.75 -0.15 -0.07 0.00 0.47 0.00 0.00 55.06 56.06 2kcc s HIS 26 Cb -0.25 -4.13 0.03 0.00 -0.13 0.00 0.00 32.58 28.10 2kcc s HIS 26 CO 0.31 -4.88 0.22 0.14 -2.47 0.00 0.00 174.74 168.07 2kcc s VAL 27 N 3.79 -0.01 0.60 0.89 -7.23 -0.97 -4.98 120.40 112.48 2kcc s VAL 27 Ca 0.82 0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.97 2kcc s VAL 27 Cb -0.41 -0.33 -0.00 0.00 0.56 0.00 0.00 36.38 36.20 2kcc s VAL 27 CO 0.37 0.02 0.94 -1.83 -0.31 0.00 0.00 175.10 174.29 2kcc s GLU 28 N 0.50 3.10 0.08 4.82 -1.05 -1.26 -2.74 118.70 122.15 2kcc s GLU 28 Ca -0.03 0.22 -0.37 0.00 -0.15 0.00 0.00 54.97 54.64 2kcc s GLU 28 Cb -0.05 -2.22 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.03 -0.66 1.32 0.00 0.95 0.00 0.00 175.26 176.84 2kcc n ALA 29 N -2.63 -1.21 0.00 -0.84 0.00 -1.22 -0.61 120.51 114.00 2kcc n ALA 29 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kcc n ALA 29 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.43 3.08 3.69 0.00 0.00 -0.63 -4.94 105.19 108.82 2kcc n GLY 30 Ca 0.19 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 -0.56 0.00 0.00 0.00 173.32 172.76 2kcc s SER 31 N 0.26 6.89 0.36 1.61 0.01 0.22 -4.75 113.70 118.29 2kcc s SER 31 Ca 0.00 2.04 -0.27 0.00 1.31 0.00 0.00 55.95 59.02 2kcc s SER 31 Cb 0.00 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 2kcc s SER 31 CO 0.00 -0.70 1.28 -0.94 0.41 0.00 0.00 173.24 173.29 2kcc s SER 32 N 1.86 6.61 -0.00 2.44 1.04 -1.26 -2.86 113.70 121.53 2kcc s SER 32 Ca 0.62 2.63 0.04 0.00 0.48 0.00 0.00 55.95 59.72 2kcc s SER 32 Cb -0.30 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.13 2kcc s SER 32 CO 0.25 -0.64 0.16 0.00 0.98 0.00 0.00 173.24 173.99 2kcc n TYR 33 N 0.51 0.00 -3.71 5.02 4.11 0.30 -4.77 117.16 118.62 2kcc n TYR 33 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2kcc n TYR 33 Cb 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 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 -1.18 -0.87 -2.58 -3.48 0.00 -0.93 -2.84 120.51 108.62 2kcc n ALA 34 Ca 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 2kcc n ALA 34 Cb 0.07 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 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 0.96 -0.19 0.00 2.02 -1.21 0.51 118.70 118.79 2kcc s GLU 35 Ca 0.07 -1.06 -0.08 0.00 0.02 0.00 0.00 54.97 53.92 2kcc s GLU 35 Cb -0.01 0.35 0.08 0.00 0.10 0.00 0.00 34.13 34.65 2kcc s GLU 35 CO 0.01 -0.32 0.42 0.00 0.02 0.00 0.00 175.26 175.38 2kcc s MET 36 N -3.91 0.35 -0.43 1.61 0.23 -0.09 -2.82 119.30 114.24 2kcc s MET 36 Ca 0.10 0.94 -0.22 0.00 -1.03 0.00 0.00 55.69 55.48 2kcc s MET 36 Cb 0.04 0.19 0.02 0.00 -1.53 0.00 0.00 34.83 33.55 2kcc s MET 36 CO -0.06 -0.22 0.71 -2.00 -2.03 0.00 0.00 175.02 171.42 2kcc s GLU 37 N 2.15 3.39 0.59 3.16 2.12 -0.86 -1.97 118.70 127.28 2kcc s GLU 37 Ca -0.05 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2kcc s GLU 37 Cb -0.11 -3.93 0.05 0.00 0.26 0.00 0.00 34.13 30.41 2kcc s GLU 37 CO -0.13 -1.03 0.83 0.08 -0.54 0.00 0.00 175.26 174.48 2kcc s VAL 38 N 3.03 2.54 0.53 3.70 1.01 -0.70 -3.84 120.40 126.67 2kcc s VAL 38 Ca 0.26 -0.61 0.21 0.00 0.00 0.00 0.00 61.98 61.84 2kcc s VAL 38 Cb -0.13 -2.92 0.32 0.00 0.00 0.00 0.00 36.38 33.64 2kcc s VAL 38 CO 0.20 0.00 2.11 0.24 0.00 0.00 0.00 175.10 177.65 2kcc h MET 39 N -0.09 0.00 0.00 2.72 0.00 -1.97 -3.22 114.93 112.37 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 -4.39 0.00 -2.97 1.72 4.01 -1.26 -5.06 118.16 110.21 2kcc n LYS 40 Ca 0.01 0.38 -0.08 0.00 -0.51 0.00 0.00 58.31 58.11 2kcc n LYS 40 Cb 0.26 -0.94 -0.01 0.00 -0.51 0.00 0.00 35.03 33.83 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2kcc n MET 41 N -1.63 0.49 -2.90 1.97 2.81 -1.22 -5.16 117.12 111.48 2kcc n MET 41 Ca 0.00 -1.64 -0.33 0.00 -1.81 0.00 0.00 57.70 53.92 2kcc n MET 41 Cb 0.00 1.67 -0.06 0.00 -0.71 0.00 0.00 33.22 34.11 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 -2.62 4.51 0.08 2.02 1.10 -1.26 -1.72 121.20 123.30 2kcc s ILE 42 Ca 0.16 1.26 -0.06 0.00 -0.51 0.00 0.00 60.65 61.50 2kcc s ILE 42 Cb -0.01 -3.61 -0.01 0.00 0.15 0.00 0.00 42.46 38.97 2kcc s ILE 42 CO 0.12 -0.30 0.13 -0.04 -2.11 0.00 0.00 174.94 172.73 2kcc s MET 43 N -3.19 0.79 -0.07 3.50 -1.94 -0.83 -4.94 119.30 112.61 2kcc s MET 43 Ca 0.59 -1.04 0.05 0.00 -1.71 0.00 0.00 55.69 53.58 2kcc s MET 43 Cb -0.09 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.04 2kcc s MET 43 CO 0.16 -0.23 -0.24 0.99 -0.01 0.00 0.00 175.02 175.69 2kcc s THR 44 N -3.88 2.07 -0.10 2.05 2.01 -1.26 -0.91 115.64 115.61 2kcc s THR 44 Ca 0.06 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 2kcc s THR 44 Cb 0.06 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2kcc s THR 44 CO -0.10 0.57 0.45 -0.76 -0.69 0.00 0.00 174.62 174.08 2kcc s LEU 45 N 0.03 4.31 0.32 4.42 1.02 0.18 -4.93 118.68 124.03 2kcc s LEU 45 Ca -0.09 0.82 0.03 0.00 0.02 0.00 0.00 54.13 54.90 2kcc s LEU 45 Cb -0.15 -2.65 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2kcc s LEU 45 CO 0.06 0.06 0.08 0.54 0.02 0.00 0.00 176.35 177.11 2kcc s ASN 46 N 0.32 2.13 0.26 2.29 6.03 -1.26 0.11 114.94 124.82 2kcc s ASN 46 Ca 0.25 -1.43 -0.04 0.00 -1.03 0.00 0.00 52.86 50.60 2kcc s ASN 46 Cb -0.15 0.09 -0.05 0.00 -3.03 0.00 0.00 41.25 38.11 2kcc s ASN 46 CO 0.10 -0.70 0.50 0.68 -2.03 0.00 0.00 177.10 175.66 2kcc s VAL 47 N -3.40 5.07 -0.35 3.54 -7.23 -1.13 -4.86 120.40 112.04 2kcc s VAL 47 Ca 0.35 -0.05 0.23 0.00 -1.81 0.00 0.00 61.98 60.70 2kcc s VAL 47 Cb 0.07 -3.73 0.14 0.00 0.56 0.00 0.00 36.38 33.42 2kcc s VAL 47 CO 0.15 -0.26 1.29 0.06 -0.31 0.00 0.00 175.10 176.02 2kcc h GLN 48 N 1.82 0.00 -3.52 4.82 -0.00 -1.93 -1.67 115.11 114.63 2kcc h GLN 48 Ca -0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.06 2kcc h GLN 48 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.62 2kcc h GLN 48 CO 0.67 0.00 0.03 -1.21 -0.00 0.00 0.00 178.83 178.32 2kcc s GLU 49 N -3.29 1.96 0.31 0.06 0.41 -1.26 -4.73 118.70 112.17 2kcc s GLU 49 Ca 0.03 -1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 52.82 2kcc s GLU 49 Cb 0.08 0.53 -0.10 0.00 -1.78 0.00 0.00 34.13 32.86 2kcc s GLU 49 CO 0.74 -0.86 1.27 1.03 -0.49 0.00 0.00 175.26 176.94 2kcc s ARG 50 N -3.02 4.41 0.00 1.61 3.00 -1.26 -3.41 118.95 120.28 2kcc s ARG 50 Ca 0.22 2.13 0.00 0.00 0.00 0.00 0.00 55.73 58.08 2kcc s ARG 50 Cb -0.03 -3.10 0.00 0.00 0.00 0.00 0.00 34.95 31.82 2kcc s ARG 50 CO 0.14 -0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.73 2kcc n GLY 51 N 0.97 0.48 3.61 -3.53 0.00 -1.11 -4.34 105.19 101.28 2kcc n GLY 51 Ca 0.00 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 4.04 -0.15 1.61 3.00 -0.79 -2.29 118.95 122.38 2kcc s ARG 52 Ca 0.00 0.13 -0.28 0.00 0.00 0.00 0.00 55.73 55.58 2kcc s ARG 52 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 2kcc s ARG 52 CO 0.00 -0.28 0.94 0.08 0.00 0.00 0.00 175.30 176.04 2kcc s VAL 53 N 2.08 4.81 -0.29 3.52 1.01 -1.07 -1.70 120.40 128.77 2kcc s VAL 53 Ca 0.17 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 2kcc s VAL 53 Cb -0.16 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2kcc s VAL 53 CO 0.10 -0.01 -0.02 -0.54 0.00 0.00 0.00 175.10 174.62 2kcc s LYS 54 N 2.22 2.51 0.20 2.72 1.02 -1.05 0.11 119.74 127.48 2kcc s LYS 54 Ca 0.43 -1.21 -0.32 0.00 0.02 0.00 0.00 55.97 54.89 2kcc s LYS 54 Cb -0.17 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.89 2kcc s LYS 54 CO 0.14 -0.57 1.62 0.66 -0.92 0.00 0.00 175.35 176.28 2kcc n TYR 55 N 4.62 2.52 -0.08 3.18 4.02 -1.26 -0.57 117.16 129.58 2kcc n TYR 55 Ca -0.14 0.20 -0.15 0.00 -0.01 0.00 0.00 57.90 57.80 2kcc n TYR 55 Cb 0.44 -2.59 -0.05 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 3.30 1.34 -1.33 -0.72 -0.00 -1.12 -4.89 119.36 115.94 2kcc n ILE 56 Ca 0.15 -0.03 -0.29 0.00 -0.00 0.00 0.00 62.75 62.58 2kcc n ILE 56 Cb 0.32 -2.02 0.14 0.00 -0.00 0.00 0.00 39.64 38.09 2kcc n ILE 56 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2kcc s LYS 57 N -2.58 1.10 0.48 0.38 2.47 -1.21 -5.01 119.74 115.38 2kcc s LYS 57 Ca -0.27 0.56 -0.00 0.00 -1.56 0.00 0.00 55.97 54.70 2kcc s LYS 57 Cb 0.07 -1.81 0.00 0.00 -1.46 0.00 0.00 37.83 34.63 2kcc s LYS 57 CO 0.36 -2.28 0.71 1.03 0.16 0.00 0.00 175.35 175.33 2kcc s ARG 58 N -5.07 2.96 0.13 4.03 0.52 -1.26 -5.03 118.95 115.23 2kcc s ARG 58 Ca 0.64 -0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.04 2kcc s ARG 58 Cb -0.17 -2.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 2kcc s ARG 58 CO 0.56 -0.39 1.47 -1.25 0.02 0.00 0.00 175.30 175.72 2kcc s PRO 59 N -4.63 4.27 0.00 3.54 0.04 -1.26 -2.34 135.00 134.62 2kcc s PRO 59 Ca 0.50 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kcc s PRO 59 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2kcc s PRO 59 CO 0.39 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2kcc n GLY 60 N 3.63 2.47 3.68 0.56 0.00 -1.24 -5.02 105.19 109.28 2kcc n GLY 60 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 1.03 -2.61 4.61 0.00 -0.99 -4.46 120.51 117.14 2kcc n ALA 61 Ca 0.00 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 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 -1.26 4.59 0.34 0.00 -7.23 -1.26 -1.86 120.40 113.72 2kcc s VAL 62 Ca 0.65 1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 62.51 2kcc s VAL 62 Cb -0.49 -4.21 -0.10 0.00 0.56 0.00 0.00 36.38 32.15 2kcc s VAL 62 CO 0.55 0.03 0.82 -0.76 -0.31 0.00 0.00 175.10 175.44 2kcc s LEU 63 N 1.87 4.09 0.06 1.32 1.02 -0.44 -4.90 118.68 121.69 2kcc s LEU 63 Ca 0.52 1.49 0.06 0.00 0.02 0.00 0.00 54.13 56.21 2kcc s LEU 63 Cb -0.21 -4.15 -0.03 0.00 0.02 0.00 0.00 46.19 41.82 2kcc s LEU 63 CO 0.21 -0.21 -0.16 -1.61 0.02 0.00 0.00 176.35 174.60 2kcc s GLU 64 N -2.81 0.99 -0.49 1.70 2.02 -1.26 -0.08 118.70 118.77 2kcc s GLU 64 Ca 0.55 -0.90 -0.26 0.00 0.02 0.00 0.00 54.97 54.38 2kcc s GLU 64 Cb -0.12 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.00 2kcc s GLU 64 CO 0.17 0.25 2.32 0.00 0.02 0.00 0.00 175.26 178.02 2kcc s ALA 65 N -1.01 1.77 0.00 5.21 0.00 -1.24 -1.16 121.76 125.34 2kcc s ALA 65 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2kcc s ALA 65 Cb -0.09 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2kcc s ALA 65 CO 0.02 -4.28 0.00 0.41 0.00 0.00 0.00 175.76 171.91 2kcc n GLY 66 N 5.94 1.64 3.76 0.00 0.00 -1.16 -4.89 105.19 110.47 2kcc n GLY 66 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.46 4.14 -0.29 0.00 1.01 -1.26 -3.01 120.40 119.54 2kcc s VAL 68 Ca 0.71 0.81 0.19 0.00 0.00 0.00 0.00 61.98 63.69 2kcc s VAL 68 Cb -0.34 -4.66 0.16 0.00 0.00 0.00 0.00 36.38 31.54 2kcc s VAL 68 CO 0.40 -1.22 1.42 0.58 0.00 0.00 0.00 175.10 176.27 2kcc h VAL 69 N 6.14 0.36 -1.09 2.92 2.07 -1.88 -3.39 116.25 121.38 2kcc h VAL 69 Ca -0.25 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2kcc h VAL 69 Cb 1.06 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2kcc h VAL 69 CO 1.15 0.21 0.00 0.00 0.02 0.00 0.00 177.57 178.95 2kcc n ALA 70 N -2.18 0.00 -3.73 1.67 0.00 -1.22 -2.79 120.51 112.26 2kcc n ALA 70 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2kcc n ALA 70 Cb 0.63 0.00 -0.05 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 0.24 -4.05 0.00 5.12 0.27 -2.37 116.66 115.87 2kcc n ARG 71 Ca 0.00 -1.94 -0.09 0.00 -1.93 0.00 0.00 57.85 53.89 2kcc n ARG 71 Cb 0.00 1.60 -0.09 0.00 -1.16 0.00 0.00 32.46 32.81 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 1.69 -0.33 0.55 2.01 -1.21 -2.52 118.68 118.86 2kcc s LEU 72 Ca 0.23 -1.01 -0.00 0.00 0.01 0.00 0.00 54.13 53.36 2kcc s LEU 72 Cb 0.01 0.59 0.13 0.00 0.01 0.00 0.00 46.19 46.93 2kcc s LEU 72 CO 0.16 -0.74 0.24 -0.70 1.01 0.00 0.00 176.35 176.32 2kcc s GLU 73 N -3.98 0.44 0.70 1.70 2.56 -0.69 -4.78 118.70 114.66 2kcc s GLU 73 Ca 0.16 -0.85 -0.16 0.00 0.00 0.00 0.00 54.97 54.12 2kcc s GLU 73 Cb 0.06 -1.04 0.02 0.00 2.00 0.00 0.00 34.13 35.17 2kcc s GLU 73 CO -0.03 -1.13 1.22 -0.51 -0.56 0.00 0.00 175.26 174.25 2kcc s LEU 74 N 1.60 3.41 0.35 2.70 2.01 -1.26 -1.88 118.68 125.60 2kcc s LEU 74 Ca 0.14 2.40 0.17 0.00 0.01 0.00 0.00 54.13 56.85 2kcc s LEU 74 Cb -0.18 -4.59 0.60 0.00 0.01 0.00 0.00 46.19 42.02 2kcc s LEU 74 CO -0.14 -2.12 1.70 -2.24 1.01 0.00 0.00 176.35 174.55 2kcc h ASP 75 N 0.01 0.00 -3.45 2.29 2.03 -1.99 -3.44 116.42 111.87 2kcc h ASP 75 Ca -0.49 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.29 2kcc h ASP 75 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2kcc h ASP 75 CO 0.51 0.42 0.45 -0.62 -1.03 0.00 0.00 179.24 178.98 2kcc s ASP 76 N -6.50 7.29 -0.68 4.15 2.15 -1.26 -4.94 116.67 116.88 2kcc s ASP 76 Ca 0.00 1.93 -0.05 0.00 0.43 0.00 0.00 52.55 54.86 2kcc s ASP 76 Cb 0.11 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 2kcc s ASP 76 CO 0.70 -0.26 2.92 -0.11 -0.17 0.00 0.00 175.17 178.26 2kcc n LEU 77 N 3.11 6.80 -3.91 -1.34 7.94 -1.26 -4.84 117.00 123.49 2kcc n LEU 77 Ca 0.05 -4.07 -0.41 0.00 -1.11 0.00 0.00 56.01 50.47 2kcc n LEU 77 Cb 0.48 -1.35 -0.04 0.00 0.53 0.00 0.00 43.42 43.04 2kcc n LEU 77 CO 0.53 1.84 2.16 1.21 -1.11 0.00 0.00 177.39 182.02 2kcc n GLU 78 N 1.79 2.07 -2.92 1.96 2.13 -1.26 -4.90 120.64 119.51 2kcc n GLU 78 Ca 0.54 -2.31 -0.20 0.00 0.66 0.00 0.00 57.16 55.85 2kcc n GLU 78 Cb 0.54 -3.21 0.07 0.00 0.27 0.00 0.00 31.44 29.10 2kcc n GLU 78 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kcc s HIS 79 N 5.38 1.66 0.47 4.31 -3.43 -1.26 -5.13 115.29 117.28 2kcc s HIS 79 Ca 0.56 -0.56 0.08 0.00 -0.80 0.00 0.00 55.06 54.33 2kcc s HIS 79 Cb 0.11 -2.42 0.08 0.00 -1.43 0.00 0.00 32.58 28.91 2kcc s HIS 79 CO 0.06 -1.18 0.63 -2.39 -2.00 0.00 0.00 174.74 169.85 2kcc n HIS 80 N -2.33 -2.26 -3.19 0.38 1.44 -1.26 -5.08 115.22 102.92 2kcc n HIS 80 Ca 0.14 -1.75 -0.25 0.00 -2.01 0.00 0.00 57.72 53.86 2kcc n HIS 80 Cb 0.61 -0.44 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 2kcc n HIS 80 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kcc n HIS 81 N -1.99 2.34 -3.05 -1.40 1.44 -1.26 -5.00 115.22 106.29 2kcc n HIS 81 Ca 0.12 -3.93 -0.44 0.00 -2.01 0.00 0.00 57.72 51.46 2kcc n HIS 81 Cb 0.49 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2kcc n HIS 81 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kcc n HIS 82 N 0.53 4.47 -3.62 -1.40 8.25 -1.26 -4.93 115.22 117.27 2kcc n HIS 82 Ca 0.28 -3.41 -0.09 0.00 -0.26 0.00 0.00 57.72 54.23 2kcc n HIS 82 Cb 0.47 -1.82 -0.06 0.00 1.12 0.00 0.00 29.99 29.70 2kcc n HIS 82 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcc s HIS 83 N -0.44 -0.39 0.00 4.41 5.04 -1.26 -5.34 115.29 117.30 2kcc s HIS 83 Ca 0.36 0.88 0.00 0.00 -1.54 0.00 0.00 55.06 54.76 2kcc s HIS 83 Cb -0.03 0.40 0.00 0.00 0.04 0.00 0.00 32.58 32.99 2kcc s HIS 83 CO -0.02 -0.23 0.00 1.58 -2.34 0.00 0.00 174.74 173.73