#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjg s SER 2 N 0.00 4.50 0.00 7.83 0.01 -1.26 -5.00 113.70 119.78 2kjg s SER 2 Ca 0.00 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 56.94 2kjg s SER 2 Cb 0.00 -0.88 -0.10 0.00 0.21 0.00 0.00 66.02 65.25 2kjg s SER 2 CO 0.00 0.14 0.40 0.00 0.41 0.00 0.00 173.24 174.19 2kjg n ILE 3 N 0.37 0.00 0.86 1.44 3.06 -1.26 -4.40 119.36 119.44 2kjg n ILE 3 Ca -0.12 -0.29 0.07 0.00 -2.50 0.00 0.00 62.75 59.92 2kjg n ILE 3 Cb 0.53 1.00 0.42 0.00 0.54 0.00 0.00 39.64 42.13 2kjg n ILE 3 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kjg n LEU 4 N -1.20 0.00 0.04 9.51 4.77 -1.26 -1.63 117.00 127.24 2kjg n LEU 4 Ca 0.02 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 2kjg n LEU 4 Cb 0.14 -0.04 0.49 0.00 -2.33 0.00 0.00 43.42 41.68 2kjg n LEU 4 CO 0.19 -0.02 0.88 -0.62 -1.33 0.00 0.00 177.39 176.48 2kjg n GLU 5 N -1.04 0.09 -3.22 3.23 1.02 -1.26 -4.73 120.64 114.73 2kjg n GLU 5 Ca 0.10 0.16 -0.39 0.00 -0.02 0.00 0.00 57.16 57.01 2kjg n GLU 5 Cb 0.06 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 2kjg n GLU 5 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kjg s ASP 6 N -3.54 6.69 0.34 1.62 -1.08 -0.64 -4.97 116.67 115.08 2kjg s ASP 6 Ca 0.11 0.82 0.11 0.00 -0.52 0.00 0.00 52.55 53.07 2kjg s ASP 6 Cb 0.14 -2.32 0.62 0.00 -1.46 0.00 0.00 42.92 39.91 2kjg s ASP 6 CO 0.48 -0.13 1.78 -0.65 0.52 0.00 0.00 175.17 177.16 2kjg h PRO 7 N 7.12 0.07 0.01 4.34 0.11 -1.89 -2.62 132.00 139.13 2kjg h PRO 7 Ca -0.37 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.46 2kjg h PRO 7 Cb 1.17 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2kjg h PRO 7 CO 0.75 0.46 -1.02 0.93 -0.21 0.00 0.00 178.00 178.91 2kjg h GLU 8 N 0.06 0.57 -0.66 1.05 4.39 -1.93 -3.05 114.58 115.01 2kjg h GLU 8 Ca 0.00 -0.63 0.02 0.00 0.34 0.00 0.00 59.36 59.09 2kjg h GLU 8 Cb 0.73 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2kjg h GLU 8 CO 0.05 1.24 0.42 0.35 -1.16 0.00 0.00 179.01 179.92 2kjg h PHE 9 N 0.32 0.80 -0.33 4.33 3.57 -1.86 -0.74 116.94 123.02 2kjg h PHE 9 Ca -0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 2kjg h PHE 9 Cb 1.67 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 2kjg h PHE 9 CO 0.09 0.48 -0.09 -0.24 -2.23 0.00 0.00 178.31 176.31 2kjg h VAL 10 N 0.85 1.23 -0.37 1.41 3.04 -1.47 -0.98 116.25 119.96 2kjg h VAL 10 Ca 0.25 -1.00 -0.10 0.00 -1.01 0.00 0.00 66.70 64.85 2kjg h VAL 10 Cb -0.04 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 2kjg h VAL 10 CO -0.08 0.33 -0.16 0.11 -1.01 0.00 0.00 177.57 176.76 2kjg h LYS 11 N 0.52 0.69 -0.79 4.17 1.57 -1.27 -2.28 116.57 119.18 2kjg h LYS 11 Ca 0.10 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2kjg h LYS 11 Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2kjg h LYS 11 CO 0.03 0.81 0.34 -0.07 -0.57 0.00 0.00 179.45 179.99 2kjg h LEU 12 N 0.62 1.07 -1.23 2.94 3.38 -0.47 -1.04 115.31 120.58 2kjg h LEU 12 Ca 0.10 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2kjg h LEU 12 Cb 0.62 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2kjg h LEU 12 CO 0.04 0.93 0.54 0.03 0.09 0.00 0.00 178.44 180.07 2kjg h ARG 13 N 1.14 0.93 0.00 1.13 2.47 -0.74 0.13 114.38 119.44 2kjg h ARG 13 Ca 0.27 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.84 2kjg h ARG 13 Cb 0.17 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2kjg h ARG 13 CO -0.03 0.61 -0.45 1.96 0.56 0.00 0.00 179.97 182.62 2kjg h GLN 14 N 0.96 0.00 0.14 0.04 4.20 -0.85 -3.25 115.11 116.36 2kjg h GLN 14 Ca 0.35 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.77 2kjg h GLN 14 Cb 0.15 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.94 2kjg h GLN 14 CO -0.12 0.44 -1.31 0.74 -0.67 0.00 0.00 178.83 177.91 2kjg h PHE 15 N 0.00 0.56 0.00 2.96 -1.00 -0.33 -3.48 116.94 115.65 2kjg h PHE 15 Ca -0.01 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2kjg h PHE 15 Cb 1.34 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.88 2kjg h PHE 15 CO 0.00 1.33 0.00 1.63 -1.61 0.00 0.00 178.31 179.66 2kjg n LYS 16 N -3.55 0.00 0.00 1.51 5.02 0.38 -4.37 118.16 117.15 2kjg n LYS 16 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2kjg n LYS 16 Cb 1.04 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kjg n GLY 17 N -2.00 1.57 2.51 0.72 0.00 -1.26 -4.71 105.19 102.02 2kjg n GLY 17 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2kjg n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kjg n LYS 18 N 0.00 -1.03 -4.37 1.61 4.01 -1.26 -4.98 118.16 112.14 2kjg n LYS 18 Ca 0.00 0.33 -0.19 0.00 -0.51 0.00 0.00 58.31 57.95 2kjg n LYS 18 Cb 0.00 -4.15 -0.10 0.00 -0.51 0.00 0.00 35.03 30.27 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2kjg s VAL 19 N -1.57 0.93 -0.12 -0.18 -7.23 -1.26 -5.04 120.40 105.93 2kjg s VAL 19 Ca 0.00 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 2kjg s VAL 19 Cb 0.00 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2kjg s VAL 19 CO 0.00 -0.09 0.48 0.21 -0.31 0.00 0.00 175.10 175.40 2kjg s ASN 20 N -3.38 6.69 0.28 4.85 3.84 -1.26 -4.96 114.94 121.00 2kjg s ASN 20 Ca 0.35 0.82 0.02 0.00 0.21 0.00 0.00 52.86 54.26 2kjg s ASN 20 Cb 0.08 -2.29 0.61 0.00 -0.55 0.00 0.00 41.25 39.10 2kjg s ASN 20 CO 0.13 -0.01 1.77 0.15 -2.79 0.00 0.00 177.10 176.36 2kjg h PHE 21 N 6.73 0.91 -0.39 0.43 3.04 -1.99 -1.32 116.94 124.35 2kjg h PHE 21 Ca -0.41 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.46 2kjg h PHE 21 Cb 1.18 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 2kjg h PHE 21 CO 0.62 0.22 -0.22 -0.91 -2.02 0.00 0.00 178.31 176.01 2kjg h ASN 22 N 0.71 0.78 0.40 0.41 2.35 -1.98 0.13 115.58 118.37 2kjg h ASN 22 Ca 0.51 -0.28 -0.25 0.00 -0.55 0.00 0.00 56.30 55.74 2kjg h ASN 22 Cb 0.73 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.89 2kjg h ASN 22 CO -0.36 0.98 -1.05 0.25 -1.65 0.00 0.00 177.43 175.59 2kjg h LEU 23 N 0.67 0.54 -0.33 1.61 5.85 -1.82 -0.94 115.31 120.89 2kjg h LEU 23 Ca 0.09 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 2kjg h LEU 23 Cb 0.73 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2kjg h LEU 23 CO 0.06 1.30 -0.22 0.58 -0.34 0.00 0.00 178.44 179.82 2kjg h VAL 24 N 0.19 1.29 -0.34 1.05 2.07 -1.05 0.43 116.25 119.88 2kjg h VAL 24 Ca -0.11 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 2kjg h VAL 24 Cb 1.72 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2kjg h VAL 24 CO 0.18 0.44 0.18 -0.03 0.02 0.00 0.00 177.57 178.36 2kjg h MET 25 N 0.50 0.47 -0.24 1.57 1.85 -0.72 0.27 114.93 118.64 2kjg h MET 25 Ca 0.07 -0.04 -0.12 0.00 -0.61 0.00 0.00 59.70 58.99 2kjg h MET 25 Cb 0.77 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.70 2kjg h MET 25 CO 0.06 0.36 -0.34 0.37 -0.40 0.00 0.00 176.91 176.96 2kjg h GLN 26 N 0.47 0.65 -0.24 0.39 4.15 -0.67 0.12 115.11 119.99 2kjg h GLN 26 Ca 0.12 -0.38 0.04 0.00 0.77 0.00 0.00 58.65 59.20 2kjg h GLN 26 Cb 0.03 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 2kjg h GLN 26 CO -0.02 0.99 0.02 0.82 -1.93 0.00 0.00 178.83 178.72 2kjg h ILE 27 N 0.35 0.86 -0.76 2.39 1.08 0.02 0.32 117.51 121.77 2kjg h ILE 27 Ca 0.02 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2kjg h ILE 27 Cb 0.92 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 2kjg h ILE 27 CO 0.08 0.02 0.26 -0.07 -0.69 0.00 0.00 178.15 177.75 2kjg h LEU 28 N 0.11 1.09 -0.14 1.44 3.38 -0.96 -2.34 115.31 117.90 2kjg h LEU 28 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2kjg h LEU 28 Cb 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2kjg h LEU 28 CO -0.17 1.00 -0.03 -0.78 0.09 0.00 0.00 178.44 178.55 2kjg h ASP 29 N 1.13 0.27 -0.78 -0.43 3.58 -0.17 -0.72 116.42 119.30 2kjg h ASP 29 Ca 0.25 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2kjg h ASP 29 Cb 0.28 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 2kjg h ASP 29 CO -0.01 0.58 0.40 -0.08 -2.88 0.00 0.00 179.24 177.24 2kjg h GLU 30 N -0.03 1.12 -0.15 0.28 4.81 -0.29 0.14 114.58 120.46 2kjg h GLU 30 Ca 0.04 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 2kjg h GLU 30 Cb 0.46 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2kjg h GLU 30 CO 0.01 0.85 -0.73 -0.84 -0.73 0.00 0.00 179.01 177.58 2kjg h ILE 31 N 1.12 1.31 0.18 2.32 3.07 -1.37 -3.02 117.51 121.11 2kjg h ILE 31 Ca 0.27 -1.98 0.00 0.00 1.55 0.00 0.00 64.86 64.71 2kjg h ILE 31 Cb 0.09 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 2kjg h ILE 31 CO -0.04 0.62 -0.16 -0.08 -1.05 0.00 0.00 178.15 177.44 2kjg h GLU 32 N 0.47 -0.34 -0.01 0.16 4.81 -0.31 0.16 114.58 119.53 2kjg h GLU 32 Ca -0.04 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2kjg h GLU 32 Cb 1.33 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2kjg h GLU 32 CO 0.14 -0.23 -0.17 1.37 -0.73 0.00 0.00 179.01 179.39 2kjg h LEU 33 N -0.36 0.01 -0.00 1.64 8.10 -0.83 0.25 115.31 124.12 2kjg h LEU 33 Ca -0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2kjg h LEU 33 Cb 0.33 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2kjg h LEU 33 CO -0.03 0.18 -0.05 -0.78 -4.11 0.00 0.00 178.44 173.65 2kjg h ASP 34 N 0.01 0.05 0.53 0.17 3.58 -1.31 -3.38 116.42 116.07 2kjg h ASP 34 Ca 0.00 -0.78 -0.03 0.00 0.42 0.00 0.00 57.03 56.64 2kjg h ASP 34 Cb 0.31 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.35 2kjg h ASP 34 CO 0.02 0.82 -0.26 0.25 -2.88 0.00 0.00 179.24 177.20 2kjg h LEU 35 N -0.73 -0.61 0.00 2.28 5.85 -0.38 -3.46 115.31 118.27 2kjg h LEU 35 Ca -0.01 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kjg h LEU 35 Cb 0.83 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2kjg h LEU 35 CO 0.01 -0.22 0.00 0.54 -0.34 0.00 0.00 178.44 178.43 2kjg n ARG 36 N -5.27 0.00 -0.98 1.25 5.12 0.86 -1.00 116.66 116.64 2kjg n ARG 36 Ca -0.10 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.76 2kjg n ARG 36 Cb 0.32 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.56 2kjg n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kjg n GLY 37 N 0.00 0.58 2.31 -0.13 0.00 -1.26 -4.91 105.19 101.79 2kjg n GLY 37 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2kjg n GLY 37 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kjg n SER 38 N 0.03 0.28 -0.05 1.61 2.88 -0.17 -5.04 113.62 113.17 2kjg n SER 38 Ca -0.23 -1.40 0.02 0.00 -1.33 0.00 0.00 58.87 55.92 2kjg n SER 38 Cb 0.71 -0.54 -0.16 0.00 -0.75 0.00 0.00 64.21 63.46 2kjg n SER 38 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kjg n ASP 39 N -3.35 0.03 -4.30 -3.46 5.75 -1.26 -4.72 116.55 105.24 2kjg n ASP 39 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.44 2kjg n ASP 39 Cb 0.35 1.56 -0.01 0.00 -1.03 0.00 0.00 41.12 41.98 2kjg n ASP 39 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kjg s ASN 40 N -4.93 7.06 0.24 -1.12 0.01 -1.26 -4.75 114.94 110.19 2kjg s ASN 40 Ca -0.09 -3.59 0.12 0.00 -0.71 0.00 0.00 52.86 48.59 2kjg s ASN 40 Cb 0.10 -2.15 0.15 0.00 0.41 0.00 0.00 41.25 39.76 2kjg s ASN 40 CO 0.87 -0.28 1.48 -0.29 -1.51 0.00 0.00 177.10 177.37 2kjg h ILE 41 N 3.78 1.30 -0.56 0.60 2.10 -1.98 -3.01 117.51 119.73 2kjg h ILE 41 Ca 0.17 -2.49 -0.01 0.00 1.08 0.00 0.00 64.86 63.61 2kjg h ILE 41 Cb 0.87 2.42 -0.03 0.00 -1.09 0.00 0.00 36.82 38.99 2kjg h ILE 41 CO 0.98 0.67 0.30 0.07 -1.08 0.00 0.00 178.15 179.08 2kjg h LYS 42 N 0.00 0.77 -0.06 2.19 2.10 -1.96 0.52 116.57 120.12 2kjg h LYS 42 Ca -0.01 -0.08 -0.19 0.00 -2.00 0.00 0.00 60.65 58.37 2kjg h LYS 42 Cb 1.37 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2kjg h LYS 42 CO 0.09 0.58 -0.78 1.15 -2.00 0.00 0.00 179.45 178.49 2kjg h THR 43 N 0.78 1.38 -0.78 0.07 2.02 -1.93 -2.12 112.91 112.33 2kjg h THR 43 Ca 0.20 -2.21 -0.04 0.00 0.77 0.00 0.00 66.41 65.13 2kjg h THR 43 Cb 0.03 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 2kjg h THR 43 CO -0.03 0.66 0.31 0.28 0.37 0.00 0.00 175.52 177.11 2kjg h SER 44 N 0.27 1.07 -0.46 4.18 0.02 -1.17 -2.33 113.55 115.13 2kjg h SER 44 Ca -0.04 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2kjg h SER 44 Cb 1.37 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 2kjg h SER 44 CO 0.13 0.95 0.21 0.40 -1.14 0.00 0.00 176.83 177.39 2kjg h ILE 45 N 1.13 0.93 -0.54 3.27 1.08 -0.67 -2.85 117.51 119.86 2kjg h ILE 45 Ca 0.26 -0.15 0.09 0.00 -0.39 0.00 0.00 64.86 64.68 2kjg h ILE 45 Cb 0.21 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 2kjg h ILE 45 CO -0.02 0.08 0.13 0.40 -0.69 0.00 0.00 178.15 178.04 2kjg h ILE 46 N 0.43 0.71 0.19 -0.67 2.04 -0.83 0.90 117.51 120.28 2kjg h ILE 46 Ca 0.20 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2kjg h ILE 46 Cb 0.14 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2kjg h ILE 46 CO -0.16 0.05 -0.09 1.88 0.00 0.00 0.00 178.15 179.82 2kjg h TYR 47 N 0.27 -0.24 -0.45 1.37 0.05 -1.31 -1.48 116.97 115.18 2kjg h TYR 47 Ca 0.27 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.98 2kjg h TYR 47 Cb 0.37 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 2kjg h TYR 47 CO -0.22 -0.06 0.00 0.28 -1.05 0.00 0.00 178.16 177.11 2kjg h VAL 48 N -0.38 1.26 -0.23 -2.88 2.07 -1.28 -0.08 116.25 114.73 2kjg h VAL 48 Ca -0.03 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 2kjg h VAL 48 Cb 0.29 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kjg h VAL 48 CO 0.04 0.36 -0.30 1.88 0.02 0.00 0.00 177.57 179.57 2kjg h TYR 49 N 0.65 0.53 0.00 1.57 -1.99 -0.82 -0.81 116.97 116.11 2kjg h TYR 49 Ca 0.13 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2kjg h TYR 49 Cb 0.50 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2kjg h TYR 49 CO 0.04 0.72 -0.35 0.77 -0.00 0.00 0.00 178.16 179.34 2kjg h SER 50 N 0.41 0.00 1.05 3.88 0.02 -0.90 -1.60 113.55 116.41 2kjg h SER 50 Ca 0.05 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.81 2kjg h SER 50 Cb 0.73 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2kjg h SER 50 CO 0.06 0.35 -0.92 -1.28 -1.14 0.00 0.00 176.83 173.90 2kjg h SER 51 N 0.00 0.00 -0.56 3.07 0.87 -0.54 -3.33 113.55 113.06 2kjg h SER 51 Ca -0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.14 2kjg h SER 51 Cb 1.08 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.71 2kjg h SER 51 CO 0.05 0.92 -0.76 1.41 -0.53 0.00 0.00 176.83 177.91 2kjg n HIS 52 N -3.35 2.06 -0.20 2.24 8.25 -0.35 -4.88 115.22 118.99 2kjg n HIS 52 Ca 0.00 -2.04 -0.03 0.00 -0.26 0.00 0.00 57.72 55.40 2kjg n HIS 52 Cb 0.90 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.73 2kjg n HIS 52 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2kjg h LEU 53 N 1.91 -0.81 -1.70 2.41 3.38 -1.41 -0.25 115.31 118.84 2kjg h LEU 53 Ca 0.27 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.45 2kjg h LEU 53 Cb 1.41 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 2kjg h LEU 53 CO 0.56 -0.25 0.22 -2.24 0.09 0.00 0.00 178.44 176.82 2kjg h ASP 54 N -0.08 0.35 -0.05 -0.43 3.04 -1.90 0.19 116.42 117.54 2kjg h ASP 54 Ca 0.27 -0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 53.96 2kjg h ASP 54 Cb 0.50 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2kjg h ASP 54 CO -0.64 0.25 -0.31 -0.08 -2.04 0.00 0.00 179.24 176.42 2kjg h GLU 55 N 0.41 0.29 -0.93 4.15 4.57 -1.47 -2.89 114.58 118.71 2kjg h GLU 55 Ca 0.12 -0.25 0.08 0.00 -1.18 0.00 0.00 59.36 58.14 2kjg h GLU 55 Cb 0.01 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 2kjg h GLU 55 CO -0.03 0.91 0.58 0.82 -1.18 0.00 0.00 179.01 180.11 2kjg h ILE 56 N -0.24 1.00 -0.69 2.32 1.08 -0.38 -1.52 117.51 119.08 2kjg h ILE 56 Ca -0.03 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 2kjg h ILE 56 Cb 0.98 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2kjg h ILE 56 CO 0.06 0.18 0.24 0.03 -0.69 0.00 0.00 178.15 177.98 2kjg h ARG 57 N 1.01 1.05 -0.13 2.37 3.08 -0.68 -0.60 114.38 120.47 2kjg h ARG 57 Ca 0.42 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2kjg h ARG 57 Cb 0.27 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2kjg h ARG 57 CO -0.21 0.87 0.05 0.87 -1.07 0.00 0.00 179.97 180.49 2kjg h LYS 58 N 1.02 0.20 -1.57 0.04 1.57 -1.06 -3.26 116.57 113.51 2kjg h LYS 58 Ca 0.23 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.42 2kjg h LYS 58 Cb 0.24 -0.03 -0.42 0.00 0.08 0.00 0.00 32.23 32.10 2kjg h LYS 58 CO -0.01 0.29 -0.80 0.09 -0.57 0.00 0.00 179.45 178.45 2kjg n ASN 59 N -4.89 4.10 0.33 0.86 3.02 -1.08 -4.80 115.26 112.79 2kjg n ASN 59 Ca -0.05 -3.55 0.22 0.00 -0.03 0.00 0.00 54.58 51.17 2kjg n ASN 59 Cb 0.11 -0.49 1.17 0.00 -0.61 0.00 0.00 39.78 39.96 2kjg n ASN 59 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kjg h LYS 60 N 2.71 0.00 0.76 3.52 2.10 -1.15 0.48 116.57 124.99 2kjg h LYS 60 Ca 0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 2kjg h LYS 60 Cb 0.90 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.24 2kjg h LYS 60 CO 0.79 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.80 2kjg h GLU 61 N 0.00 -0.98 0.09 0.07 5.08 -1.87 -1.12 114.58 115.85 2kjg h GLU 61 Ca 0.00 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kjg h GLU 61 Cb 0.03 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kjg h GLU 61 CO 0.00 -0.64 -0.04 0.35 -1.00 0.00 0.00 179.01 177.68 2kjg h PHE 62 N -1.07 -0.11 0.00 4.33 3.57 -1.45 -1.97 116.94 120.24 2kjg h PHE 62 Ca -0.10 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 2kjg h PHE 62 Cb 0.79 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2kjg h PHE 62 CO -0.01 0.19 -0.21 1.88 -2.23 0.00 0.00 178.31 177.93 2kjg h TYR 63 N -0.41 0.00 0.20 0.41 0.05 -1.06 0.37 116.97 116.52 2kjg h TYR 63 Ca -0.01 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.42 2kjg h TYR 63 Cb 0.35 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.11 2kjg h TYR 63 CO 0.02 0.21 -1.65 0.22 -1.05 0.00 0.00 178.16 175.91 2kjg h ASP 64 N 0.00 0.66 -0.43 3.88 3.58 -1.10 -2.93 116.42 120.08 2kjg h ASP 64 Ca -0.00 -0.88 -0.04 0.00 0.42 0.00 0.00 57.03 56.53 2kjg h ASP 64 Cb 0.51 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2kjg h ASP 64 CO 0.03 1.73 0.13 0.24 -2.88 0.00 0.00 179.24 178.48 2kjg h MET 65 N 0.12 0.67 -0.72 0.28 2.86 -1.05 -2.60 114.93 114.49 2kjg h MET 65 Ca -0.31 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 2kjg h MET 65 Cb 2.11 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 2kjg h MET 65 CO 0.21 0.66 0.30 -0.84 1.06 0.00 0.00 176.91 178.30 2kjg h ILE 66 N 0.55 1.24 -0.65 -1.22 3.07 -1.05 -1.98 117.51 117.47 2kjg h ILE 66 Ca 0.14 -0.73 0.11 0.00 1.55 0.00 0.00 64.86 65.93 2kjg h ILE 66 Cb 0.27 0.36 -0.08 0.00 -0.27 0.00 0.00 36.82 37.10 2kjg h ILE 66 CO -0.00 0.30 0.23 0.00 -1.05 0.00 0.00 178.15 177.63 2kjg h ALA 67 N 1.30 0.86 -0.06 0.16 0.00 -1.27 0.42 119.26 120.66 2kjg h ALA 67 Ca 0.24 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 2kjg h ALA 67 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kjg h ALA 67 CO -0.02 -0.22 -0.83 1.05 0.00 0.00 0.00 179.25 179.22 2kjg h GLU 68 N 0.39 0.48 -0.29 0.00 4.11 -1.22 -3.01 114.58 115.05 2kjg h GLU 68 Ca 0.34 -0.45 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2kjg h GLU 68 Cb 0.47 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kjg h GLU 68 CO -0.36 1.09 0.09 0.82 0.07 0.00 0.00 179.01 180.72 2kjg h ILE 69 N 0.31 1.20 -0.63 -1.06 2.04 -0.54 -1.30 117.51 117.53 2kjg h ILE 69 Ca -0.06 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.26 2kjg h ILE 69 Cb 1.44 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 2kjg h ILE 69 CO 0.15 0.21 0.26 -0.07 0.00 0.00 0.00 178.15 178.70 2kjg h LEU 70 N 0.30 0.28 -0.04 1.44 3.38 -0.25 0.41 115.31 120.83 2kjg h LEU 70 Ca 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kjg h LEU 70 Cb 0.24 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kjg h LEU 70 CO -0.00 0.16 -0.00 1.56 0.09 0.00 0.00 178.44 180.25 2kjg h GLN 71 N 0.45 0.07 -0.44 1.13 4.20 -1.38 -0.26 115.11 118.87 2kjg h GLN 71 Ca 0.32 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2kjg h GLN 71 Cb 0.37 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2kjg h GLN 71 CO -0.30 0.38 0.25 -0.09 -0.67 0.00 0.00 178.83 178.40 2kjg h ARG 72 N -0.25 0.61 0.00 1.46 2.43 -0.62 -2.99 114.38 115.02 2kjg h ARG 72 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2kjg h ARG 72 Cb 0.35 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2kjg h ARG 72 CO 0.00 0.47 -0.81 1.88 -1.51 0.00 0.00 179.97 180.01 2kjg h TYR 73 N 0.58 0.00 0.00 2.20 -1.99 -0.24 -3.09 116.97 114.43 2kjg h TYR 73 Ca 0.16 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.81 2kjg h TYR 73 Cb 0.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 2kjg h TYR 73 CO -0.03 0.00 -0.35 0.10 -0.00 0.00 0.00 178.16 177.88 2kjg h TYR 74 N 0.00 0.00 -0.04 4.88 -0.00 -0.96 0.24 116.97 121.10 2kjg h TYR 74 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.59 2kjg h TYR 74 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.62 2kjg h TYR 74 CO 0.00 0.35 -0.60 0.87 -0.00 0.00 0.00 178.16 178.78 2kjg h LYS 75 N 0.00 0.14 0.00 0.10 1.79 -1.50 -2.66 116.57 114.44 2kjg h LYS 75 Ca -0.00 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 58.25 2kjg h LYS 75 Cb 0.65 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2kjg h LYS 75 CO 0.05 0.69 -0.72 0.87 -1.08 0.00 0.00 179.45 179.26 2kjg h LYS 76 N 0.10 0.00 0.00 3.15 1.57 -1.28 -3.44 116.57 116.67 2kjg h LYS 76 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kjg h LYS 76 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2kjg h LYS 76 CO 0.09 0.79 -0.94 0.44 -0.57 0.00 0.00 179.45 179.26 2kjg n ILE 77 N -4.53 0.00 0.00 1.86 -5.35 0.79 -5.10 119.36 107.03 2kjg n ILE 77 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2kjg n ILE 77 Cb 0.52 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 2kjg n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kjg n GLY 78 N 2.70 3.57 0.35 3.28 0.00 -0.80 -4.78 105.19 109.52 2kjg n GLY 78 Ca 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 2kjg n GLY 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kjg h ILE 79 N 0.31 1.26 -0.49 -0.61 6.09 -1.83 -1.84 117.51 120.40 2kjg h ILE 79 Ca 0.00 -0.66 0.06 0.00 -1.37 0.00 0.00 64.86 62.88 2kjg h ILE 79 Cb 0.00 0.08 -0.05 0.00 0.47 0.00 0.00 36.82 37.32 2kjg h ILE 79 CO 0.00 0.30 0.20 -0.33 -3.07 0.00 0.00 178.15 175.25 2kjg h GLU 80 N 1.24 0.39 -0.40 2.19 3.07 -1.91 0.07 114.58 119.23 2kjg h GLU 80 Ca 0.31 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.10 2kjg h GLU 80 Cb 0.05 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2kjg h GLU 80 CO -0.05 0.26 0.07 -0.91 -1.40 0.00 0.00 179.01 176.99 2kjg h ASN 81 N 0.40 0.63 -0.48 1.42 2.35 -1.77 -2.63 115.58 115.50 2kjg h ASN 81 Ca 0.23 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2kjg h ASN 81 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2kjg h ASN 81 CO -0.20 0.72 0.06 0.58 -1.65 0.00 0.00 177.43 176.94 2kjg h VAL 82 N 0.52 1.25 -0.57 2.81 2.07 -0.67 -0.11 116.25 121.55 2kjg h VAL 82 Ca 0.12 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.73 2kjg h VAL 82 Cb 0.35 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2kjg h VAL 82 CO 0.01 0.34 0.31 0.78 0.02 0.00 0.00 177.57 179.02 2kjg h ASN 83 N 0.67 0.47 -0.49 0.57 2.35 -0.94 0.31 115.58 118.51 2kjg h ASN 83 Ca 0.14 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2kjg h ASN 83 Cb 0.42 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2kjg h ASN 83 CO 0.01 0.31 0.11 -0.61 -1.65 0.00 0.00 177.43 175.61 2kjg h GLN 84 N 0.60 0.79 -0.46 0.81 -0.00 -1.16 -1.52 115.11 114.17 2kjg h GLN 84 Ca 0.25 -0.20 -0.09 0.00 -0.00 0.00 0.00 58.65 58.62 2kjg h GLN 84 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.49 2kjg h GLN 84 CO -0.15 0.78 -0.06 -0.07 0.00 0.00 0.00 178.83 179.32 2kjg h LEU 85 N 0.68 0.79 -0.68 -2.39 3.38 -0.03 0.16 115.31 117.21 2kjg h LEU 85 Ca 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2kjg h LEU 85 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2kjg h LEU 85 CO 0.00 0.89 0.23 0.40 0.09 0.00 0.00 178.44 180.05 2kjg h ILE 86 N 0.74 1.25 -0.78 1.22 1.08 -0.19 0.14 117.51 120.97 2kjg h ILE 86 Ca 0.13 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2kjg h ILE 86 Cb 0.53 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2kjg h ILE 86 CO 0.03 0.33 0.32 -0.07 -0.69 0.00 0.00 178.15 178.07 2kjg h LEU 87 N 0.99 1.05 -1.34 1.44 3.38 -0.72 -1.64 115.31 118.48 2kjg h LEU 87 Ca 0.22 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2kjg h LEU 87 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kjg h LEU 87 CO -0.01 0.93 -0.04 0.74 0.09 0.00 0.00 178.44 180.14 2kjg h THR 88 N 1.12 1.18 -0.26 0.22 2.02 -0.09 0.23 112.91 117.33 2kjg h THR 88 Ca 0.26 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 2kjg h THR 88 Cb 0.19 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2kjg h THR 88 CO -0.02 0.24 -0.48 0.74 0.37 0.00 0.00 175.52 176.37 2kjg h THR 89 N 0.38 1.30 0.00 3.16 2.02 -0.08 -3.24 112.91 116.44 2kjg h THR 89 Ca 0.08 -1.68 -0.26 0.00 0.77 0.00 0.00 66.41 65.33 2kjg h THR 89 Cb 0.32 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 2kjg h THR 89 CO 0.01 0.54 -1.54 0.16 0.37 0.00 0.00 175.52 175.06 2kjg h ILE 90 N 0.56 0.90 -2.76 3.11 3.07 -1.10 -3.42 117.51 117.88 2kjg h ILE 90 Ca 0.03 -2.67 -0.74 0.00 1.55 0.00 0.00 64.86 63.03 2kjg h ILE 90 Cb 1.04 2.41 -0.21 0.00 -0.27 0.00 0.00 36.82 39.79 2kjg h ILE 90 CO 0.10 0.51 0.81 -0.75 -1.05 0.00 0.00 178.15 177.78 2kjg s LYS 91 N -2.67 3.85 0.33 0.16 2.47 0.78 -4.83 119.74 119.83 2kjg s LYS 91 Ca -0.03 -2.38 0.07 0.00 -1.56 0.00 0.00 55.97 52.07 2kjg s LYS 91 Cb 0.08 -4.82 -0.01 0.00 -1.46 0.00 0.00 37.83 31.62 2kjg s LYS 91 CO 0.82 -1.60 0.42 -0.51 0.16 0.00 0.00 175.35 174.63 2kjg s LEU 92 N 1.27 3.87 -0.53 5.43 1.43 -1.26 -4.74 118.68 124.15 2kjg s LEU 92 Ca 0.33 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2kjg s LEU 92 Cb -0.06 -2.60 0.06 0.00 0.03 0.00 0.00 46.19 43.62 2kjg s LEU 92 CO -0.06 -0.41 0.72 -0.70 0.23 0.00 0.00 176.35 176.13 2kjg s GLU 93 N -4.12 3.17 0.47 1.70 -6.30 -1.26 -4.90 118.70 107.45 2kjg s GLU 93 Ca 0.44 -0.77 0.27 0.00 -2.50 0.00 0.00 54.97 52.40 2kjg s GLU 93 Cb -0.08 -4.11 1.06 0.00 0.00 0.00 0.00 34.13 31.00 2kjg s GLU 93 CO 0.30 -1.33 1.88 1.25 0.02 0.00 0.00 175.26 177.37 2kjg h HIS 94 N 9.11 0.00 0.00 5.30 -0.00 -1.97 -1.93 115.15 125.66 2kjg h HIS 94 Ca -0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.03 2kjg h HIS 94 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 2kjg h HIS 94 CO 0.81 0.16 -0.56 1.25 -0.00 0.00 0.00 177.93 179.59 2kjg h HIS 95 N 0.00 0.00 -5.34 5.26 -0.00 -1.94 -3.48 115.15 109.65 2kjg h HIS 95 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 60.07 2kjg h HIS 95 Cb 0.67 0.00 0.16 0.00 -0.00 0.00 0.00 27.41 28.23 2kjg h HIS 95 CO 0.00 0.29 -0.71 0.72 -0.00 0.00 0.00 177.93 178.23 2kjg n HIS 96 N -3.06 -2.03 0.32 5.26 8.25 -0.73 -4.90 115.22 118.33 2kjg n HIS 96 Ca 0.01 0.86 0.13 0.00 -0.26 0.00 0.00 57.72 58.46 2kjg n HIS 96 Cb 0.66 -4.77 0.34 0.00 1.12 0.00 0.00 29.99 27.34 2kjg n HIS 96 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjg h HIS 97 N -1.68 0.00 -3.18 4.41 6.17 -1.93 -3.43 115.15 115.51 2kjg h HIS 97 Ca -0.54 0.00 -0.13 0.00 0.71 0.00 0.00 60.37 60.40 2kjg h HIS 97 Cb 1.31 0.00 -0.21 0.00 2.52 0.00 0.00 27.41 31.03 2kjg h HIS 97 CO 0.39 0.00 -0.37 -3.38 0.71 0.00 0.00 177.93 175.29 2kjg s HIS 98 N -3.29 -0.15 -2.07 5.26 -3.43 -1.26 -5.23 115.29 105.12 2kjg s HIS 98 Ca 0.06 0.26 0.17 0.00 -0.80 0.00 0.00 55.06 54.75 2kjg s HIS 98 Cb 0.07 0.06 0.13 0.00 -1.43 0.00 0.00 32.58 31.41 2kjg s HIS 98 CO 0.61 -0.30 1.02 1.58 -2.00 0.00 0.00 174.74 175.66