#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 2.67 -0.59 0.03 8.01 -1.26 -5.02 118.70 122.55 2kcc s GLU 2 Ca 0.00 -1.74 -0.05 0.00 0.01 0.00 0.00 54.97 53.19 2kcc s GLU 2 Cb 0.00 -4.07 0.15 0.00 -4.31 0.00 0.00 34.13 25.90 2kcc s GLU 2 CO 0.00 -1.24 0.42 -0.80 0.01 0.00 0.00 175.26 173.65 2kcc s ASN 3 N 3.02 5.50 0.56 -0.19 -0.87 -1.26 -5.08 114.94 116.62 2kcc s ASN 3 Ca 0.05 -2.53 -0.12 0.00 -1.57 0.00 0.00 52.86 48.69 2kcc s ASN 3 Cb -0.28 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.25 38.98 2kcc s ASN 3 CO 0.01 -0.48 0.97 -1.81 -2.57 0.00 0.00 177.10 173.22 2kcc s ASP 4 N 1.39 6.36 0.48 -1.22 1.11 -1.26 -4.97 116.67 118.56 2kcc s ASP 4 Ca 0.14 1.38 0.27 0.00 0.18 0.00 0.00 52.55 54.52 2kcc s ASP 4 Cb -0.20 -2.44 1.14 0.00 1.07 0.00 0.00 42.92 42.48 2kcc s ASP 4 CO -0.04 -0.72 1.91 1.55 1.18 0.00 0.00 175.17 179.05 2kcc h PRO 5 N 0.19 0.00 -1.64 8.23 0.13 -1.99 -3.16 132.00 133.76 2kcc h PRO 5 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.30 2kcc h PRO 5 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2kcc h PRO 5 CO 0.62 0.15 0.41 0.25 -0.23 0.00 0.00 178.00 179.20 2kcc n THR 6 N -3.35 2.94 -3.67 1.56 -2.24 -1.26 -4.79 114.28 103.47 2kcc n THR 6 Ca -0.00 -2.02 -0.11 0.00 -2.27 0.00 0.00 64.05 59.65 2kcc n THR 6 Cb 0.36 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.29 -0.43 0.09 2.28 1.01 -1.20 -3.08 120.40 116.79 2kcc s VAL 7 Ca 0.39 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 2kcc s VAL 7 Cb 0.29 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 2kcc s VAL 7 CO -0.06 0.09 0.56 -0.22 0.00 0.00 0.00 175.10 175.47 2kcc s LEU 8 N 2.30 4.48 -0.14 3.92 1.98 -0.74 -4.83 118.68 125.65 2kcc s LEU 8 Ca -0.02 1.22 -0.11 0.00 -2.89 0.00 0.00 54.13 52.33 2kcc s LEU 8 Cb -0.12 -2.97 0.04 0.00 0.66 0.00 0.00 46.19 43.80 2kcc s LEU 8 CO -0.10 0.24 0.37 -0.13 -1.89 0.00 0.00 176.35 174.83 2kcc s ARG 9 N -1.30 0.40 0.48 1.98 0.52 -1.26 -2.47 118.95 117.29 2kcc s ARG 9 Ca 0.31 0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 55.88 2kcc s ARG 9 Cb -0.18 0.12 -0.07 0.00 0.52 0.00 0.00 34.95 35.33 2kcc s ARG 9 CO 0.19 -0.09 1.19 0.45 0.02 0.00 0.00 175.30 177.06 2kcc s SER 10 N 0.61 6.01 0.35 0.23 0.15 -1.07 -4.88 113.70 115.10 2kcc s SER 10 Ca -0.03 2.37 0.18 0.00 0.70 0.00 0.00 55.95 59.16 2kcc s SER 10 Cb -0.05 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.22 2kcc s SER 10 CO -0.04 -1.03 1.68 1.55 1.20 0.00 0.00 173.24 176.60 2kcc h PRO 11 N 1.92 0.00 -3.58 5.44 0.13 -1.93 -3.12 132.00 130.86 2kcc h PRO 11 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 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 0.60 0.42 -0.04 -1.12 -0.23 0.00 0.00 178.00 177.63 2kcc s SER 12 N -6.46 0.12 -0.14 1.44 0.01 -1.26 -4.69 113.70 102.70 2kcc s SER 12 Ca 0.01 -1.04 -0.29 0.00 1.31 0.00 0.00 55.95 55.93 2kcc s SER 12 Cb 0.11 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 2kcc s SER 12 CO 0.70 -1.28 1.21 0.00 0.41 0.00 0.00 173.24 174.28 2kcc s ALA 13 N -3.55 3.62 0.00 1.44 0.00 -1.26 -3.72 121.76 118.28 2kcc s ALA 13 Ca 0.22 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2kcc s ALA 13 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2kcc s ALA 13 CO 0.12 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2kcc n GLY 14 N 3.49 4.94 3.63 0.00 0.00 0.17 -4.83 105.19 112.60 2kcc n GLY 14 Ca 0.13 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 4.12 0.72 -0.61 1.61 2.36 -1.24 -0.90 119.74 125.80 2kcc s LYS 15 Ca 0.00 0.93 -0.26 0.00 -2.55 0.00 0.00 55.97 54.08 2kcc s LYS 15 Cb 0.00 0.32 -0.03 0.00 -1.05 0.00 0.00 37.83 37.06 2kcc s LYS 15 CO 0.00 -0.10 1.97 -1.17 1.55 0.00 0.00 175.35 177.60 2kcc s LEU 16 N 0.58 3.29 0.01 5.43 2.96 -0.61 -1.74 118.68 128.60 2kcc s LEU 16 Ca -0.01 0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 54.09 2kcc s LEU 16 Cb -0.05 -2.53 -0.24 0.00 0.50 0.00 0.00 46.19 43.88 2kcc s LEU 16 CO -0.04 -2.51 1.10 0.00 -1.32 0.00 0.00 176.35 173.57 2kcc h THR 17 N 7.05 1.42 -0.64 3.68 1.03 -1.87 -3.29 112.91 120.31 2kcc h THR 17 Ca -0.23 -2.11 0.00 0.00 -0.01 0.00 0.00 66.41 64.06 2kcc h THR 17 Cb 1.17 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 2kcc h THR 17 CO 1.21 0.61 0.00 1.67 -0.01 0.00 0.00 175.52 179.00 2kcc n GLN 18 N -4.19 0.00 -3.75 0.00 -0.06 -1.25 -4.95 117.38 103.18 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 0.69 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.76 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 -2.61 -0.39 -0.66 3.69 -0.85 -1.26 -3.23 117.35 112.03 2kcc s TYR 19 Ca 0.00 0.95 0.23 0.00 -0.52 0.00 0.00 57.07 57.73 2kcc s TYR 19 Cb 0.00 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 2kcc s TYR 19 CO 0.00 -0.19 0.96 0.25 -1.52 0.00 0.00 175.55 175.05 2kcc n THR 20 N 2.93 0.10 -3.76 -3.49 -2.24 -1.19 -4.94 114.28 101.69 2kcc n THR 20 Ca -0.13 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2kcc n THR 20 Cb 0.57 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.18 0.02 0.59 2.28 -7.23 -1.22 -4.97 120.40 106.70 2kcc s VAL 21 Ca 0.04 -0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 59.91 2kcc s VAL 21 Cb 0.15 -0.53 0.15 0.00 0.56 0.00 0.00 36.38 36.71 2kcc s VAL 21 CO 0.82 -0.11 0.49 -1.84 -0.31 0.00 0.00 175.10 174.15 2kcc n GLU 22 N 2.23 -2.24 -1.73 4.82 0.28 -1.26 -4.78 120.64 117.96 2kcc n GLU 22 Ca -0.17 -0.79 -0.42 0.00 -0.16 0.00 0.00 57.16 55.62 2kcc n GLU 22 Cb 0.57 -0.78 -0.03 0.00 1.43 0.00 0.00 31.44 32.63 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 -3.95 3.93 -1.40 -1.84 2.03 -1.26 -1.67 116.55 112.38 2kcc n ASP 23 Ca 0.07 1.09 -0.14 0.00 0.52 0.00 0.00 54.79 56.34 2kcc n ASP 23 Cb 0.27 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.08 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 3.29 0.27 3.62 0.27 0.00 0.31 -4.92 105.19 108.02 2kcc n GLY 24 Ca 0.13 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.52 0.96 -0.01 -0.02 0.00 -0.65 -4.36 107.32 100.72 2kcc s GLY 25 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.13 2kcc s GLY 25 CO 0.00 3.40 1.89 -2.38 0.00 0.00 0.00 173.10 176.02 2kcc s HIS 26 N 6.37 1.47 -0.08 1.90 -3.43 -1.26 -1.90 115.29 118.36 2kcc s HIS 26 Ca 0.86 -0.21 -0.07 0.00 -0.80 0.00 0.00 55.06 54.84 2kcc s HIS 26 Cb -0.31 -4.14 0.03 0.00 -1.43 0.00 0.00 32.58 26.73 2kcc s HIS 26 CO 0.34 -4.98 0.21 0.14 -2.00 0.00 0.00 174.74 168.46 2kcc s VAL 27 N 4.60 -0.01 0.58 -5.38 -7.23 -0.59 -4.97 120.40 107.40 2kcc s VAL 27 Ca 0.85 0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2kcc s VAL 27 Cb -0.39 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2kcc s VAL 27 CO 0.38 0.02 0.92 -1.83 -0.31 0.00 0.00 175.10 174.28 2kcc s GLU 28 N 0.42 3.27 -0.05 4.82 -1.05 -1.26 -2.37 118.70 122.48 2kcc s GLU 28 Ca -0.03 0.31 -0.38 0.00 -0.15 0.00 0.00 54.97 54.72 2kcc s GLU 28 Cb -0.04 -2.22 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.02 -0.56 1.46 0.00 0.95 0.00 0.00 175.26 177.09 2kcc n ALA 29 N -2.58 -0.90 0.00 -0.84 0.00 -1.23 -0.37 120.51 114.58 2kcc n ALA 29 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kcc n ALA 29 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 3.04 3.28 3.72 0.00 0.00 0.64 -4.94 105.19 110.93 2kcc n GLY 30 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.36 6.96 0.20 1.61 0.01 0.50 -4.61 113.70 118.02 2kcc s SER 31 Ca 0.00 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.16 2kcc s SER 31 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 2kcc s SER 31 CO 0.00 -0.53 1.39 -0.94 0.41 0.00 0.00 173.24 173.57 2kcc s SER 32 N 0.88 6.77 -0.00 2.44 1.04 -1.26 -2.34 113.70 121.22 2kcc s SER 32 Ca 0.60 2.51 0.06 0.00 0.48 0.00 0.00 55.95 59.60 2kcc s SER 32 Cb -0.33 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.10 2kcc s SER 32 CO 0.31 -0.63 0.24 0.00 0.98 0.00 0.00 173.24 174.14 2kcc n TYR 33 N 2.78 0.00 -3.65 5.02 0.18 0.82 -4.75 117.16 117.57 2kcc n TYR 33 Ca 0.08 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.86 2kcc n TYR 33 Cb 0.41 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 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 -0.26 -2.53 -3.48 0.00 -1.09 -3.20 120.51 108.65 2kcc n ALA 34 Ca 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2kcc n ALA 34 Cb 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.88 -0.20 0.00 2.02 -1.20 -0.68 118.70 117.52 2kcc s GLU 35 Ca 0.02 -1.03 -0.08 0.00 0.02 0.00 0.00 54.97 53.90 2kcc s GLU 35 Cb -0.00 0.33 0.08 0.00 0.10 0.00 0.00 34.13 34.65 2kcc s GLU 35 CO 0.00 -0.28 0.43 0.00 0.02 0.00 0.00 175.26 175.44 2kcc s MET 36 N -3.89 0.36 -0.41 1.61 0.23 -0.65 -2.86 119.30 113.69 2kcc s MET 36 Ca 0.08 0.99 -0.22 0.00 -1.03 0.00 0.00 55.69 55.51 2kcc s MET 36 Cb 0.05 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 2kcc s MET 36 CO -0.09 -0.22 0.70 -2.00 -2.03 0.00 0.00 175.02 171.38 2kcc s GLU 37 N 2.28 3.49 0.59 3.16 2.12 -0.71 -2.40 118.70 127.23 2kcc s GLU 37 Ca -0.04 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2kcc s GLU 37 Cb -0.11 -3.89 0.05 0.00 0.26 0.00 0.00 34.13 30.44 2kcc s GLU 37 CO -0.13 -0.94 0.83 0.08 -0.54 0.00 0.00 175.26 174.56 2kcc s VAL 38 N 2.95 2.54 0.55 3.70 1.01 -0.80 -3.64 120.40 126.70 2kcc s VAL 38 Ca 0.26 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 61.84 2kcc s VAL 38 Cb -0.14 -2.91 0.32 0.00 0.00 0.00 0.00 36.38 33.66 2kcc s VAL 38 CO 0.19 0.00 2.13 0.24 0.00 0.00 0.00 175.10 177.65 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 -0.41 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 -4.27 0.00 -2.64 1.72 4.76 -1.26 -5.07 118.16 111.40 2kcc n LYS 40 Ca 0.00 0.33 -0.06 0.00 -2.87 0.00 0.00 58.31 55.71 2kcc n LYS 40 Cb 0.23 -0.89 -0.01 0.00 -1.84 0.00 0.00 35.03 32.53 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 -1.48 0.39 -2.93 1.97 2.81 -1.22 -5.16 117.12 111.50 2kcc n MET 41 Ca 0.00 -1.29 -0.34 0.00 -1.81 0.00 0.00 57.70 54.27 2kcc n MET 41 Cb 0.00 1.31 -0.07 0.00 -0.71 0.00 0.00 33.22 33.75 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 4.46 0.13 2.02 1.10 -1.26 -1.90 121.20 123.14 2kcc s ILE 42 Ca 0.13 1.36 -0.07 0.00 -0.51 0.00 0.00 60.65 61.56 2kcc s ILE 42 Cb -0.01 -3.68 -0.01 0.00 0.15 0.00 0.00 42.46 38.90 2kcc s ILE 42 CO 0.09 -0.17 0.19 -0.04 -2.11 0.00 0.00 174.94 172.90 2kcc s MET 43 N -2.86 0.99 -0.06 3.50 -1.94 -1.01 -4.95 119.30 112.98 2kcc s MET 43 Ca 0.56 -1.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.44 2kcc s MET 43 Cb -0.11 0.33 -0.01 0.00 2.01 0.00 0.00 34.83 37.05 2kcc s MET 43 CO 0.16 -0.33 -0.25 0.99 -0.01 0.00 0.00 175.02 175.59 2kcc s THR 44 N -3.95 2.07 -0.34 2.05 2.01 -1.26 -1.64 115.64 114.57 2kcc s THR 44 Ca 0.15 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 2kcc s THR 44 Cb 0.05 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 2kcc s THR 44 CO -0.03 0.57 0.56 -0.76 -0.69 0.00 0.00 174.62 174.27 2kcc s LEU 45 N -0.18 4.29 0.39 4.42 1.02 0.15 -4.95 118.68 123.81 2kcc s LEU 45 Ca -0.03 0.09 0.08 0.00 0.02 0.00 0.00 54.13 54.28 2kcc s LEU 45 Cb -0.14 -2.67 -0.02 0.00 0.02 0.00 0.00 46.19 43.39 2kcc s LEU 45 CO 0.04 -0.50 0.37 0.20 0.02 0.00 0.00 176.35 176.47 2kcc s ASN 46 N 1.75 5.20 0.15 2.29 0.02 -1.26 -0.12 114.94 122.96 2kcc s ASN 46 Ca 0.21 -0.62 -0.09 0.00 -1.02 0.00 0.00 52.86 51.34 2kcc s ASN 46 Cb -0.15 -0.73 -0.06 0.00 0.02 0.00 0.00 41.25 40.33 2kcc s ASN 46 CO 0.13 -0.55 0.46 0.68 0.02 0.00 0.00 177.10 177.84 2kcc s VAL 47 N -2.40 5.03 -0.54 1.60 -7.23 -0.99 -4.86 120.40 111.02 2kcc s VAL 47 Ca 0.46 0.39 0.24 0.00 -1.81 0.00 0.00 61.98 61.27 2kcc s VAL 47 Cb -0.05 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.40 2kcc s VAL 47 CO 0.28 0.11 1.42 0.06 -0.31 0.00 0.00 175.10 176.66 2kcc h GLN 48 N 3.10 0.00 -3.47 4.82 -0.00 -1.93 0.18 115.11 117.82 2kcc h GLN 48 Ca -0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 2kcc h GLN 48 Cb 1.18 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.57 2kcc h GLN 48 CO 0.69 0.00 -0.04 -1.21 -0.00 0.00 0.00 178.83 178.27 2kcc s GLU 49 N -3.20 1.49 0.42 0.06 0.41 -1.26 -4.78 118.70 111.83 2kcc s GLU 49 Ca 0.06 -1.08 -0.25 0.00 -0.41 0.00 0.00 54.97 53.29 2kcc s GLU 49 Cb 0.11 0.50 -0.08 0.00 -1.78 0.00 0.00 34.13 32.87 2kcc s GLU 49 CO 0.70 -0.63 1.22 1.03 -0.49 0.00 0.00 175.26 177.09 2kcc s ARG 50 N -3.95 3.94 0.00 1.61 3.00 -1.26 -3.54 118.95 118.75 2kcc s ARG 50 Ca 0.16 1.94 0.00 0.00 0.00 0.00 0.00 55.73 57.83 2kcc s ARG 50 Cb -0.01 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.30 2kcc s ARG 50 CO 0.04 -0.44 0.00 0.41 0.00 0.00 0.00 175.30 175.30 2kcc n GLY 51 N 0.63 0.14 3.66 -3.53 0.00 -1.00 -4.57 105.19 100.51 2kcc n GLY 51 Ca 0.05 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.56 4.14 -0.09 1.61 3.00 -1.13 -1.54 118.95 123.38 2kcc s ARG 52 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 55.73 55.62 2kcc s ARG 52 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 34.95 31.37 2kcc s ARG 52 CO 0.00 -0.10 0.93 0.08 0.00 0.00 0.00 175.30 176.22 2kcc s VAL 53 N 1.50 4.85 -0.28 3.52 1.01 -0.80 0.42 120.40 130.62 2kcc s VAL 53 Ca 0.18 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 2kcc s VAL 53 Cb -0.15 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.02 2kcc s VAL 53 CO 0.08 0.08 -0.02 -0.54 0.00 0.00 0.00 175.10 174.69 2kcc s LYS 54 N 1.64 2.53 0.21 2.72 1.02 0.28 0.11 119.74 128.25 2kcc s LYS 54 Ca 0.46 -1.19 -0.32 0.00 0.02 0.00 0.00 55.97 54.94 2kcc s LYS 54 Cb -0.19 -3.11 -0.13 0.00 -0.52 0.00 0.00 37.83 33.89 2kcc s LYS 54 CO 0.19 -0.56 1.64 0.66 -0.92 0.00 0.00 175.35 176.36 2kcc n TYR 55 N 4.62 2.57 -0.09 3.18 4.02 -1.26 0.15 117.16 130.35 2kcc n TYR 55 Ca -0.14 0.17 -0.18 0.00 -0.01 0.00 0.00 57.90 57.74 2kcc n TYR 55 Cb 0.44 -2.61 -0.06 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 3.37 1.20 -1.31 -0.72 -0.00 -1.13 -4.88 119.36 115.88 2kcc n ILE 56 Ca 0.15 -0.15 -0.29 0.00 -0.00 0.00 0.00 62.75 62.45 2kcc n ILE 56 Cb 0.33 -1.87 0.18 0.00 -0.00 0.00 0.00 39.64 38.28 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 -2.45 0.23 0.39 0.38 -0.14 -1.25 -5.03 119.74 111.87 2kcc s LYS 57 Ca -0.27 0.23 -0.01 0.00 -1.36 0.00 0.00 55.97 54.57 2kcc s LYS 57 Cb 0.09 -1.74 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 2kcc s LYS 57 CO 0.35 -2.80 0.61 1.03 -0.76 0.00 0.00 175.35 173.77 2kcc s ARG 58 N -5.23 3.44 0.09 1.68 3.00 -1.26 -5.04 118.95 115.63 2kcc s ARG 58 Ca 0.67 -0.25 -0.31 0.00 0.00 0.00 0.00 55.73 55.84 2kcc s ARG 58 Cb -0.14 -2.59 -0.08 0.00 0.00 0.00 0.00 34.95 32.14 2kcc s ARG 58 CO 0.56 0.02 1.46 -1.25 0.00 0.00 0.00 175.30 176.09 2kcc s PRO 59 N -4.43 4.28 0.00 3.54 0.04 -1.26 -2.40 135.00 134.76 2kcc s PRO 59 Ca 0.42 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2kcc s PRO 59 Cb -0.10 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.07 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 2.63 3.65 0.56 0.00 -1.24 -5.02 105.19 109.41 2kcc n GLY 60 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.89 0.47 -2.59 4.61 0.00 -1.01 -4.36 120.51 116.75 2kcc n ALA 61 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2kcc n ALA 61 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 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 -1.46 4.63 0.41 0.00 1.01 -1.26 -1.57 120.40 122.15 2kcc s VAL 62 Ca 0.76 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 64.51 2kcc s VAL 62 Cb -0.41 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 2kcc s VAL 62 CO 0.46 0.17 0.85 -0.76 0.00 0.00 0.00 175.10 175.82 2kcc s LEU 63 N 0.88 3.87 0.04 3.92 2.01 -0.08 -4.89 118.68 124.44 2kcc s LEU 63 Ca 0.53 1.39 0.04 0.00 0.01 0.00 0.00 54.13 56.10 2kcc s LEU 63 Cb -0.23 -4.26 -0.02 0.00 0.01 0.00 0.00 46.19 41.69 2kcc s LEU 63 CO 0.29 -0.38 -0.12 -1.61 1.01 0.00 0.00 176.35 175.54 2kcc s GLU 64 N -3.50 0.77 -0.62 1.70 0.41 -1.26 -0.65 118.70 115.54 2kcc s GLU 64 Ca 0.56 -0.70 -0.26 0.00 -0.41 0.00 0.00 54.97 54.16 2kcc s GLU 64 Cb -0.10 -0.73 -0.09 0.00 -1.78 0.00 0.00 34.13 31.44 2kcc s GLU 64 CO 0.23 0.17 2.35 0.00 -0.49 0.00 0.00 175.26 177.53 2kcc s ALA 65 N -0.90 1.34 0.00 5.21 0.00 -1.24 -0.99 121.76 125.18 2kcc s ALA 65 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2kcc s ALA 65 Cb -0.08 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.61 2kcc s ALA 65 CO 0.01 -4.95 0.00 0.41 0.00 0.00 0.00 175.76 171.23 2kcc n GLY 66 N 6.30 1.62 3.76 0.00 0.00 -1.18 -4.89 105.19 110.80 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 -1.45 4.40 -0.09 0.00 1.01 -1.26 -2.60 120.40 120.41 2kcc s VAL 68 Ca 0.70 1.29 0.14 0.00 0.00 0.00 0.00 61.98 64.10 2kcc s VAL 68 Cb -0.34 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 2kcc s VAL 68 CO 0.40 -0.75 1.27 0.58 0.00 0.00 0.00 175.10 176.60 2kcc h VAL 69 N 6.00 0.97 -1.35 2.92 2.07 -1.82 -3.36 116.25 121.68 2kcc h VAL 69 Ca -0.22 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2kcc h VAL 69 Cb 1.07 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2kcc h VAL 69 CO 1.06 0.55 0.00 0.00 0.02 0.00 0.00 177.57 179.20 2kcc n ALA 70 N -2.29 0.00 -3.00 1.67 0.00 -1.22 -2.85 120.51 112.82 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 0.81 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.98 0.07 -0.22 0.00 1.81 0.12 -1.79 118.95 117.96 2kcc s ARG 71 Ca 0.00 0.10 -0.15 0.00 -1.72 0.00 0.00 55.73 53.96 2kcc s ARG 71 Cb 0.00 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2kcc s ARG 71 CO 0.00 -0.02 0.36 -0.51 -0.68 0.00 0.00 175.30 174.45 2kcc s LEU 72 N 0.11 4.12 -1.15 2.53 2.01 -1.18 0.99 118.68 126.11 2kcc s LEU 72 Ca -0.01 0.41 -0.15 0.00 0.01 0.00 0.00 54.13 54.39 2kcc s LEU 72 Cb -0.01 -2.44 0.17 0.00 0.01 0.00 0.00 46.19 43.91 2kcc s LEU 72 CO -0.00 -0.09 1.36 -0.70 1.01 0.00 0.00 176.35 177.93 2kcc s GLU 73 N 1.47 4.00 0.00 1.70 -6.30 0.17 -4.55 118.70 115.18 2kcc s GLU 73 Ca 0.17 -2.44 0.00 0.00 -2.50 0.00 0.00 54.97 50.19 2kcc s GLU 73 Cb -0.15 -5.02 0.00 0.00 0.00 0.00 0.00 34.13 28.97 2kcc s GLU 73 CO 0.08 -1.75 0.64 1.28 0.02 0.00 0.00 175.26 175.53 2kcc n LEU 74 N 5.73 0.22 -3.75 2.70 7.99 -1.26 -2.82 117.00 125.80 2kcc n LEU 74 Ca 0.34 0.67 -0.25 0.00 -0.01 0.00 0.00 56.01 56.76 2kcc n LEU 74 Cb 0.44 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 2kcc n LEU 74 CO 0.59 -0.24 -0.23 -0.67 -1.51 0.00 0.00 177.39 175.33 2kcc n ASP 75 N -1.23 -4.98 -4.83 -1.43 2.03 -1.26 -4.88 116.55 99.96 2kcc n ASP 75 Ca 0.00 -0.88 -0.32 0.00 0.52 0.00 0.00 54.79 54.11 2kcc n ASP 75 Cb 0.00 -1.78 -0.00 0.00 -0.72 0.00 0.00 41.12 38.62 2kcc n ASP 75 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kcc s ASP 76 N -2.88 6.13 -0.00 1.67 -4.77 -1.26 -4.99 116.67 110.56 2kcc s ASP 76 Ca 0.03 1.62 0.03 0.00 -3.30 0.00 0.00 52.55 50.93 2kcc s ASP 76 Cb -0.00 -2.51 -0.25 0.00 -1.09 0.00 0.00 42.92 39.07 2kcc s ASP 76 CO 0.89 -0.93 0.82 -0.07 0.70 0.00 0.00 175.17 176.58 2kcc h LEU 77 N 0.32 0.20 -8.40 2.11 3.38 -2.04 -3.43 115.31 107.44 2kcc h LEU 77 Ca -0.46 -0.32 -0.50 0.00 0.09 0.00 0.00 57.88 56.69 2kcc h LEU 77 Cb 1.20 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2kcc h LEU 77 CO 0.60 1.27 1.21 -1.61 0.09 0.00 0.00 178.44 180.00 2kcc s GLU 78 N -2.62 2.86 0.10 1.13 2.02 -1.26 -4.93 118.70 116.00 2kcc s GLU 78 Ca -0.07 0.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.96 2kcc s GLU 78 Cb 0.08 -4.42 0.01 0.00 0.10 0.00 0.00 34.13 29.90 2kcc s GLU 78 CO 0.83 -2.55 0.27 -1.58 0.02 0.00 0.00 175.26 172.25 2kcc s HIS 79 N 7.79 0.00 -0.44 1.61 2.46 -1.26 -5.11 115.29 120.35 2kcc s HIS 79 Ca 0.55 -0.38 -0.28 0.00 0.47 0.00 0.00 55.06 55.42 2kcc s HIS 79 Cb -0.10 0.07 -0.01 0.00 -0.13 0.00 0.00 32.58 32.41 2kcc s HIS 79 CO 0.15 -0.60 1.73 -1.01 -2.47 0.00 0.00 174.74 172.54 2kcc s HIS 80 N -3.78 1.90 -1.19 3.88 3.76 -1.26 -4.92 115.29 113.68 2kcc s HIS 80 Ca 0.04 0.67 -0.13 0.00 -0.15 0.00 0.00 55.06 55.49 2kcc s HIS 80 Cb 0.03 -4.16 0.20 0.00 1.11 0.00 0.00 32.58 29.76 2kcc s HIS 80 CO -0.11 -2.54 1.37 1.58 -0.85 0.00 0.00 174.74 174.19 2kcc n HIS 81 N 10.70 5.04 -0.09 1.40 -0.00 -1.26 -4.66 115.22 126.35 2kcc n HIS 81 Ca 0.20 -3.48 -0.09 0.00 -0.00 0.00 0.00 57.72 54.35 2kcc n HIS 81 Cb 0.49 -2.08 -0.14 0.00 -0.00 0.00 0.00 29.99 28.25 2kcc n HIS 81 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kcc n HIS 82 N 4.97 0.00 -4.03 1.57 1.44 -1.26 -4.97 115.22 112.94 2kcc n HIS 82 Ca 0.34 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.73 2kcc n HIS 82 Cb 0.42 -0.90 -0.06 0.00 0.12 0.00 0.00 29.99 29.57 2kcc n HIS 82 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcc s HIS 83 N -2.44 3.35 -2.67 -1.40 5.65 -1.26 -5.36 115.29 111.15 2kcc s HIS 83 Ca -0.10 0.22 0.27 0.00 0.25 0.00 0.00 55.06 55.69 2kcc s HIS 83 Cb 0.06 -1.74 0.75 0.00 -1.18 0.00 0.00 32.58 30.47 2kcc s HIS 83 CO 0.73 0.57 1.58 0.72 -0.65 0.00 0.00 174.74 177.69