#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 6.35 0.00 7.83 0.01 -1.26 -4.64 113.70 121.99 2kjg s SER 2 Ca 0.00 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2kjg s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kjg s SER 2 CO 0.00 -1.49 0.00 0.00 0.41 0.00 0.00 173.24 172.16 2kjg n ILE 3 N 6.92 0.00 0.27 1.44 3.06 -1.26 -4.81 119.36 124.98 2kjg n ILE 3 Ca 0.13 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.42 2kjg n ILE 3 Cb 0.49 0.64 0.17 0.00 0.54 0.00 0.00 39.64 41.47 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 0.00 0.00 0.24 9.51 4.77 -1.26 -1.26 117.00 128.99 2kjg n LEU 4 Ca 0.00 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 2kjg n LEU 4 Cb 0.00 -0.48 0.58 0.00 -2.33 0.00 0.00 43.42 41.20 2kjg n LEU 4 CO 0.00 -0.35 0.88 -0.33 -1.33 0.00 0.00 177.39 176.26 2kjg h GLU 5 N 0.00 0.00 -6.40 3.23 4.39 -1.97 -3.43 114.58 110.39 2kjg h GLU 5 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2kjg h GLU 5 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2kjg h GLU 5 CO 0.00 0.20 0.58 0.34 -1.16 0.00 0.00 179.01 178.97 2kjg s ASP 6 N -6.35 7.12 0.36 1.42 -1.08 -0.39 -4.94 116.67 112.82 2kjg s ASP 6 Ca -0.02 1.87 0.05 0.00 -0.52 0.00 0.00 52.55 53.93 2kjg s ASP 6 Cb 0.13 -2.57 0.67 0.00 -1.46 0.00 0.00 42.92 39.69 2kjg s ASP 6 CO 0.63 -0.47 1.94 -0.65 0.52 0.00 0.00 175.17 177.13 2kjg h PRO 7 N 7.04 0.58 0.01 4.34 0.11 -1.89 -2.00 132.00 140.19 2kjg h PRO 7 Ca -0.39 -0.09 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2kjg h PRO 7 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kjg h PRO 7 CO 0.83 0.51 -0.93 0.93 -0.21 0.00 0.00 178.00 179.12 2kjg h GLU 8 N 0.57 0.31 -0.63 1.05 4.39 -1.95 -2.77 114.58 115.56 2kjg h GLU 8 Ca 0.14 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 2kjg h GLU 8 Cb 0.17 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2kjg h GLU 8 CO -0.01 1.05 0.16 0.35 -1.16 0.00 0.00 179.01 179.40 2kjg h PHE 9 N 0.17 1.05 -0.23 4.33 3.57 -1.81 -0.85 116.94 123.16 2kjg h PHE 9 Ca -0.07 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 2kjg h PHE 9 Cb 1.57 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2kjg h PHE 9 CO 0.05 0.87 -0.20 -0.24 -2.23 0.00 0.00 178.31 176.56 2kjg h VAL 10 N 0.92 1.24 -0.63 1.41 3.04 -1.35 -1.89 116.25 118.98 2kjg h VAL 10 Ca 0.20 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.77 2kjg h VAL 10 Cb 0.34 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.88 2kjg h VAL 10 CO 0.00 0.35 0.37 0.11 -1.01 0.00 0.00 177.57 177.40 2kjg h LYS 11 N 0.37 0.87 -0.79 4.17 1.57 -1.07 -2.33 116.57 119.36 2kjg h LYS 11 Ca 0.06 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2kjg h LYS 11 Cb 0.56 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 2kjg h LYS 11 CO 0.04 0.63 0.47 -0.07 -0.57 0.00 0.00 179.45 179.95 2kjg h LEU 12 N 0.86 0.72 -1.07 2.94 3.38 -0.51 0.32 115.31 121.94 2kjg h LEU 12 Ca 0.23 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.24 2kjg h LEU 12 Cb -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2kjg h LEU 12 CO -0.04 0.45 0.63 0.03 0.09 0.00 0.00 178.44 179.60 2kjg h ARG 13 N 0.85 1.21 0.03 1.13 2.47 -0.98 0.18 114.38 119.27 2kjg h ARG 13 Ca 0.36 -0.07 -0.22 0.00 -1.26 0.00 0.00 59.98 58.78 2kjg h ARG 13 Cb 0.21 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 2kjg h ARG 13 CO -0.19 0.80 -1.06 1.96 0.56 0.00 0.00 179.97 182.04 2kjg h GLN 14 N 1.25 0.05 0.09 0.04 4.20 -0.76 -3.36 115.11 116.63 2kjg h GLN 14 Ca 0.36 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.86 2kjg h GLN 14 Cb -0.08 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.75 2kjg h GLN 14 CO -0.09 1.04 -0.52 0.35 -0.67 0.00 0.00 178.83 178.93 2kjg h PHE 15 N 0.01 0.35 -2.34 2.96 3.57 0.04 -3.51 116.94 118.03 2kjg h PHE 15 Ca -0.04 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2kjg h PHE 15 Cb 1.81 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.54 2kjg h PHE 15 CO 0.01 1.20 -0.56 1.17 -2.23 0.00 0.00 178.31 177.90 2kjg n LYS 16 N -4.30 -2.94 -3.26 1.11 4.81 0.59 -4.90 118.16 109.27 2kjg n LYS 16 Ca -0.12 2.15 -0.41 0.00 -0.87 0.00 0.00 58.31 59.05 2kjg n LYS 16 Cb 0.70 -2.39 -0.08 0.00 0.02 0.00 0.00 35.03 33.28 2kjg n LYS 16 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2kjg s GLY 17 N -2.17 1.83 -0.25 3.14 0.00 -1.26 -4.90 107.32 103.70 2kjg s GLY 17 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.69 2kjg s GLY 17 CO 0.00 1.23 1.53 0.28 0.00 0.00 0.00 173.10 176.14 2kjg n LYS 18 N 5.69 1.70 -3.84 2.90 4.01 -1.26 -4.89 118.16 122.47 2kjg n LYS 18 Ca -0.05 -1.67 -0.23 0.00 -0.51 0.00 0.00 58.31 55.85 2kjg n LYS 18 Cb 0.49 -1.65 -0.02 0.00 -0.51 0.00 0.00 35.03 33.33 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 -1.86 5.24 0.05 -0.18 -7.23 -1.26 -5.04 120.40 110.12 2kjg s VAL 19 Ca 0.32 -0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 2kjg s VAL 19 Cb 0.27 -3.82 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 2kjg s VAL 19 CO 0.06 -0.30 1.57 0.21 -0.31 0.00 0.00 175.10 176.32 2kjg s ASN 20 N -3.75 6.68 0.35 4.85 3.84 -1.26 -4.88 114.94 120.77 2kjg s ASN 20 Ca 0.36 2.37 0.08 0.00 0.21 0.00 0.00 52.86 55.87 2kjg s ASN 20 Cb -0.10 -2.56 0.80 0.00 -0.55 0.00 0.00 41.25 38.84 2kjg s ASN 20 CO 0.30 -0.83 1.87 0.15 -2.79 0.00 0.00 177.10 175.80 2kjg h PHE 21 N 8.11 0.85 -0.33 0.43 3.57 -1.96 -0.64 116.94 126.97 2kjg h PHE 21 Ca -0.41 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.00 2kjg h PHE 21 Cb 1.19 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2kjg h PHE 21 CO 0.77 0.31 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.98 2kjg h ASN 22 N 0.72 0.69 0.10 0.41 2.35 -1.99 -0.99 115.58 116.87 2kjg h ASN 22 Ca 0.45 -0.26 -0.27 0.00 -0.55 0.00 0.00 56.30 55.67 2kjg h ASN 22 Cb 0.70 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.90 2kjg h ASN 22 CO -0.21 0.93 -1.08 0.25 -1.65 0.00 0.00 177.43 175.67 2kjg h LEU 23 N 0.58 0.83 -0.27 1.61 5.85 -1.63 -0.93 115.31 121.36 2kjg h LEU 23 Ca 0.07 -0.70 0.02 0.00 0.84 0.00 0.00 57.88 58.12 2kjg h LEU 23 Cb 0.77 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2kjg h LEU 23 CO 0.06 1.50 0.11 0.58 -0.34 0.00 0.00 178.44 180.35 2kjg h VAL 24 N 0.33 0.95 -0.97 1.05 2.07 -0.94 0.51 116.25 119.26 2kjg h VAL 24 Ca -0.14 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2kjg h VAL 24 Cb 1.74 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 2kjg h VAL 24 CO 0.21 0.04 0.63 -0.03 0.02 0.00 0.00 177.57 178.44 2kjg h MET 25 N 0.24 1.16 -0.21 1.57 1.85 -1.15 -0.79 114.93 117.60 2kjg h MET 25 Ca 0.12 -0.07 -0.15 0.00 -0.61 0.00 0.00 59.70 58.98 2kjg h MET 25 Cb 0.07 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 31.83 2kjg h MET 25 CO -0.10 0.77 -0.50 0.37 -0.40 0.00 0.00 176.91 177.04 2kjg h GLN 26 N 1.19 0.57 0.11 0.39 4.15 -0.15 -1.01 115.11 120.37 2kjg h GLN 26 Ca 0.39 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2kjg h GLN 26 Cb 0.05 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2kjg h GLN 26 CO -0.14 0.94 -0.10 0.82 -1.93 0.00 0.00 178.83 178.42 2kjg h ILE 27 N 0.45 0.78 -0.79 2.39 1.08 0.85 0.38 117.51 122.65 2kjg h ILE 27 Ca 0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2kjg h ILE 27 Cb 1.03 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 2kjg h ILE 27 CO 0.10 0.00 0.48 -0.07 -0.69 0.00 0.00 178.15 177.97 2kjg h LEU 28 N -0.23 0.94 -0.09 1.44 3.38 -1.10 -0.90 115.31 118.75 2kjg h LEU 28 Ca -0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2kjg h LEU 28 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kjg h LEU 28 CO -0.02 0.71 -0.15 -0.78 0.09 0.00 0.00 178.44 178.29 2kjg h ASP 29 N 1.08 0.28 -0.56 -0.43 3.58 -0.84 -1.83 116.42 117.70 2kjg h ASP 29 Ca 0.28 -0.55 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2kjg h ASP 29 Cb -0.06 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2kjg h ASP 29 CO -0.05 0.78 0.21 -0.08 -2.88 0.00 0.00 179.24 177.21 2kjg h GLU 30 N -0.20 0.85 -0.35 0.28 4.81 0.10 0.09 114.58 120.16 2kjg h GLU 30 Ca 0.01 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 2kjg h GLU 30 Cb 0.73 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2kjg h GLU 30 CO 0.03 0.74 -0.31 -0.84 -0.73 0.00 0.00 179.01 177.91 2kjg h ILE 31 N 0.77 1.28 0.21 2.32 3.07 -1.23 -2.55 117.51 121.39 2kjg h ILE 31 Ca 0.19 -1.45 -0.01 0.00 1.55 0.00 0.00 64.86 65.14 2kjg h ILE 31 Cb 0.22 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2kjg h ILE 31 CO -0.01 0.48 -0.13 -0.08 -1.05 0.00 0.00 178.15 177.36 2kjg h GLU 32 N 0.64 -0.32 0.00 0.16 4.81 -0.75 0.17 114.58 119.29 2kjg h GLU 32 Ca 0.07 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2kjg h GLU 32 Cb 0.83 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2kjg h GLU 32 CO 0.07 -0.21 -0.28 1.37 -0.73 0.00 0.00 179.01 179.23 2kjg h LEU 33 N -0.33 0.00 0.01 1.64 8.10 -0.99 0.76 115.31 124.50 2kjg h LEU 33 Ca -0.02 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.88 2kjg h LEU 33 Cb 0.27 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2kjg h LEU 33 CO 0.02 0.28 -0.33 -0.78 -4.11 0.00 0.00 178.44 173.52 2kjg h ASP 34 N 0.00 0.28 0.92 0.17 3.58 -1.17 -3.37 116.42 116.83 2kjg h ASP 34 Ca -0.00 -0.79 -0.05 0.00 0.42 0.00 0.00 57.03 56.61 2kjg h ASP 34 Cb 0.51 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2kjg h ASP 34 CO 0.04 1.04 -0.44 0.25 -2.88 0.00 0.00 179.24 177.24 2kjg h LEU 35 N -0.44 -1.05 0.00 2.28 5.85 -0.40 -3.44 115.31 118.11 2kjg h LEU 35 Ca -0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kjg h LEU 35 Cb 1.10 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2kjg h LEU 35 CO 0.07 -0.73 0.00 0.54 -0.34 0.00 0.00 178.44 177.98 2kjg n ARG 36 N -5.45 0.00 0.00 1.25 5.12 0.24 -1.94 116.66 115.87 2kjg n ARG 36 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2kjg n ARG 36 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 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 0.95 0.16 -0.13 0.00 -1.26 -4.98 105.19 99.93 2kjg n GLY 37 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kjg n GLY 37 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kjg h SER 38 N 0.83 0.62 -1.69 1.61 4.64 -1.90 -3.47 113.55 114.19 2kjg h SER 38 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 2kjg h SER 38 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2kjg h SER 38 CO 0.00 1.26 0.00 -0.67 -0.87 0.00 0.00 176.83 176.55 2kjg n ASP 39 N -4.16 0.00 -4.50 4.97 2.03 -0.82 -5.06 116.55 109.01 2kjg n ASP 39 Ca -0.10 -0.27 -0.34 0.00 0.52 0.00 0.00 54.79 54.60 2kjg n ASP 39 Cb 0.69 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.97 2kjg n ASP 39 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kjg s ASN 40 N -1.00 4.95 0.32 1.67 3.84 -1.26 -4.93 114.94 118.54 2kjg s ASN 40 Ca 0.00 -0.13 0.02 0.00 0.21 0.00 0.00 52.86 52.97 2kjg s ASN 40 Cb 0.00 -1.83 0.56 0.00 -0.55 0.00 0.00 41.25 39.42 2kjg s ASN 40 CO 0.00 0.12 1.89 -0.29 -2.79 0.00 0.00 177.10 176.03 2kjg h ILE 41 N 5.21 1.19 0.00 -5.21 2.10 -1.93 -1.28 117.51 117.58 2kjg h ILE 41 Ca -0.34 -0.68 -0.08 0.00 1.08 0.00 0.00 64.86 64.84 2kjg h ILE 41 Cb 1.18 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 2kjg h ILE 41 CO 0.63 0.25 -0.39 0.07 -1.08 0.00 0.00 178.15 177.63 2kjg h LYS 42 N 0.66 0.00 -0.18 2.19 2.10 -1.94 0.13 116.57 119.54 2kjg h LYS 42 Ca 0.15 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.69 2kjg h LYS 42 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2kjg h LYS 42 CO -0.01 0.39 -0.34 1.15 -2.00 0.00 0.00 179.45 178.64 2kjg h THR 43 N 0.00 1.34 -0.95 0.07 2.02 -1.74 -2.59 112.91 111.06 2kjg h THR 43 Ca -0.00 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.61 2kjg h THR 43 Cb 0.76 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 2kjg h THR 43 CO 0.05 0.48 0.63 0.28 0.37 0.00 0.00 175.52 177.33 2kjg h SER 44 N 0.21 1.07 -0.67 4.18 0.02 -0.56 -1.76 113.55 116.03 2kjg h SER 44 Ca 0.01 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 2kjg h SER 44 Cb 0.94 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 2kjg h SER 44 CO 0.08 0.76 0.21 0.40 -1.14 0.00 0.00 176.83 177.14 2kjg h ILE 45 N 1.26 0.65 -0.00 3.27 1.08 -0.61 -2.68 117.51 120.47 2kjg h ILE 45 Ca 0.36 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.73 2kjg h ILE 45 Cb -0.09 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 2kjg h ILE 45 CO -0.09 0.06 -0.12 0.40 -0.69 0.00 0.00 178.15 177.71 2kjg h ILE 46 N 0.35 0.69 -0.60 -0.67 2.04 -0.92 -0.82 117.51 117.58 2kjg h ILE 46 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 2kjg h ILE 46 Cb 0.54 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2kjg h ILE 46 CO -0.40 0.00 0.37 1.88 0.00 0.00 0.00 178.15 180.00 2kjg h TYR 47 N -0.21 0.78 -0.17 1.37 0.05 -1.37 0.44 116.97 117.85 2kjg h TYR 47 Ca 0.05 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2kjg h TYR 47 Cb 0.27 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2kjg h TYR 47 CO -0.18 0.52 -0.13 0.28 -1.05 0.00 0.00 178.16 177.59 2kjg h VAL 48 N 0.81 1.33 -0.40 -2.88 2.07 -1.34 -1.82 116.25 114.03 2kjg h VAL 48 Ca 0.22 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 2kjg h VAL 48 Cb -0.05 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2kjg h VAL 48 CO -0.04 0.37 -0.24 1.88 0.02 0.00 0.00 177.57 179.56 2kjg h TYR 49 N 0.06 0.92 0.00 1.57 -1.99 -0.98 0.42 116.97 116.97 2kjg h TYR 49 Ca 0.03 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.53 2kjg h TYR 49 Cb 0.64 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 2kjg h TYR 49 CO 0.07 0.96 -0.08 0.66 -0.00 0.00 0.00 178.16 179.78 2kjg h SER 50 N 0.70 0.00 0.02 3.88 4.64 -0.79 -2.80 113.55 119.19 2kjg h SER 50 Ca 0.09 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.10 2kjg h SER 50 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 2kjg h SER 50 CO 0.06 0.08 -1.74 -0.24 -0.87 0.00 0.00 176.83 174.12 2kjg n SER 51 N -3.21 1.93 -2.23 4.97 2.88 -0.69 -4.46 113.62 112.80 2kjg n SER 51 Ca 0.00 0.34 -0.29 0.00 -1.33 0.00 0.00 58.87 57.60 2kjg n SER 51 Cb 0.34 -0.89 0.06 0.00 -0.75 0.00 0.00 64.21 62.97 2kjg n SER 51 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kjg n HIS 52 N -4.20 2.59 -0.33 0.66 8.25 0.12 -4.71 115.22 117.61 2kjg n HIS 52 Ca -0.38 -2.60 0.16 0.00 -0.26 0.00 0.00 57.72 54.65 2kjg n HIS 52 Cb 0.80 -1.27 0.36 0.00 1.12 0.00 0.00 29.99 30.99 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 2.32 0.48 -0.12 2.41 3.38 -1.71 -2.97 115.31 119.10 2kjg h LEU 53 Ca 0.49 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.66 2kjg h LEU 53 Cb 0.79 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2kjg h LEU 53 CO 1.28 0.02 -0.21 -0.78 0.09 0.00 0.00 178.44 178.84 2kjg h ASP 54 N 0.46 -0.65 0.34 -0.43 3.58 -1.88 0.38 116.42 118.22 2kjg h ASP 54 Ca 0.62 0.11 -0.18 0.00 0.42 0.00 0.00 57.03 58.00 2kjg h ASP 54 Cb 1.21 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 2kjg h ASP 54 CO -0.52 -0.26 -0.73 -0.08 -2.88 0.00 0.00 179.24 174.77 2kjg h GLU 55 N -0.27 0.33 -0.67 0.28 4.57 -1.94 -2.94 114.58 113.93 2kjg h GLU 55 Ca 0.10 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2kjg h GLU 55 Cb 0.41 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2kjg h GLU 55 CO -0.28 0.92 0.43 0.82 -1.18 0.00 0.00 179.01 179.72 2kjg h ILE 56 N 0.22 1.14 0.00 2.32 1.08 -1.30 -2.56 117.51 118.40 2kjg h ILE 56 Ca -0.03 -0.30 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 2kjg h ILE 56 Cb 1.29 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2kjg h ILE 56 CO 0.12 0.16 -0.44 0.03 -0.69 0.00 0.00 178.15 177.33 2kjg h ARG 57 N 0.87 0.00 0.57 2.37 3.08 -0.78 -1.90 114.38 118.59 2kjg h ARG 57 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 2kjg h ARG 57 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2kjg h ARG 57 CO -0.08 0.44 -0.28 0.87 -1.07 0.00 0.00 179.97 179.86 2kjg h LYS 58 N 0.00 -0.74 -2.29 0.04 6.56 -1.36 -3.33 116.57 115.45 2kjg h LYS 58 Ca -0.00 0.05 -0.63 0.00 -1.06 0.00 0.00 60.65 59.00 2kjg h LYS 58 Cb 0.88 0.17 -0.39 0.00 -0.57 0.00 0.00 32.23 32.32 2kjg h LYS 58 CO 0.06 -0.48 -0.32 0.09 -2.06 0.00 0.00 179.45 176.74 2kjg n ASN 59 N -5.41 4.99 -0.21 0.86 3.02 -1.17 -4.85 115.26 112.48 2kjg n ASN 59 Ca -0.13 -3.67 0.07 0.00 -0.03 0.00 0.00 54.58 50.83 2kjg n ASN 59 Cb 0.32 -0.69 0.35 0.00 -0.61 0.00 0.00 39.78 39.15 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 3.32 0.75 -0.64 3.52 2.10 -1.46 -1.28 116.57 122.87 2kjg h LYS 60 Ca 0.21 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.73 2kjg h LYS 60 Cb 0.48 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 2kjg h LYS 60 CO 0.89 0.50 0.09 0.93 -2.00 0.00 0.00 179.45 179.86 2kjg h GLU 61 N 0.77 1.07 0.12 0.07 4.39 -1.89 0.10 114.58 119.21 2kjg h GLU 61 Ca 0.34 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2kjg h GLU 61 Cb 0.33 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2kjg h GLU 61 CO -0.12 0.99 -0.06 0.35 -1.16 0.00 0.00 179.01 179.01 2kjg h PHE 62 N 1.00 -0.15 -0.19 4.33 3.57 -1.64 -1.25 116.94 122.61 2kjg h PHE 62 Ca 0.19 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 2kjg h PHE 62 Cb 0.45 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2kjg h PHE 62 CO 0.03 0.11 -0.37 1.88 -2.23 0.00 0.00 178.31 177.73 2kjg h TYR 63 N -0.39 0.48 -0.16 0.41 0.05 -1.23 0.10 116.97 116.23 2kjg h TYR 63 Ca -0.02 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.56 2kjg h TYR 63 Cb 0.32 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2kjg h TYR 63 CO 0.00 0.73 -0.20 0.22 -1.05 0.00 0.00 178.16 177.86 2kjg h ASP 64 N 0.35 0.45 -0.44 3.88 3.58 -0.75 -1.87 116.42 121.62 2kjg h ASP 64 Ca 0.04 -0.50 -0.10 0.00 0.42 0.00 0.00 57.03 56.89 2kjg h ASP 64 Cb 0.81 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2kjg h ASP 64 CO 0.07 0.86 -0.12 0.24 -2.88 0.00 0.00 179.24 177.41 2kjg h MET 65 N 0.06 0.86 -0.41 0.28 2.86 -1.09 -2.88 114.93 114.60 2kjg h MET 65 Ca 0.02 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.26 2kjg h MET 65 Cb 0.75 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2kjg h MET 65 CO 0.05 0.97 -0.03 -0.84 1.06 0.00 0.00 176.91 178.12 2kjg h ILE 66 N 0.69 1.23 -0.65 -1.22 3.07 -0.99 -2.45 117.51 117.18 2kjg h ILE 66 Ca 0.11 -0.96 0.07 0.00 1.55 0.00 0.00 64.86 65.63 2kjg h ILE 66 Cb 0.66 0.95 -0.06 0.00 -0.27 0.00 0.00 36.82 38.10 2kjg h ILE 66 CO 0.05 0.33 0.32 0.00 -1.05 0.00 0.00 178.15 177.80 2kjg h ALA 67 N 1.34 0.87 -0.09 0.16 0.00 -1.12 0.38 119.26 120.79 2kjg h ALA 67 Ca 0.13 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 2kjg h ALA 67 Cb 0.43 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kjg h ALA 67 CO 0.02 -0.04 -0.82 1.05 0.00 0.00 0.00 179.25 179.46 2kjg h GLU 68 N 0.58 0.62 -0.51 0.00 4.11 -1.39 -3.07 114.58 114.93 2kjg h GLU 68 Ca 0.31 -0.55 -0.06 0.00 0.07 0.00 0.00 59.36 59.13 2kjg h GLU 68 Cb 0.27 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2kjg h GLU 68 CO -0.23 1.16 0.07 0.82 0.07 0.00 0.00 179.01 180.90 2kjg h ILE 69 N 0.41 1.25 -0.56 -1.06 2.04 -0.87 -1.83 117.51 116.90 2kjg h ILE 69 Ca -0.06 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 64.91 2kjg h ILE 69 Cb 1.44 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2kjg h ILE 69 CO 0.16 0.34 0.20 -0.07 0.00 0.00 0.00 178.15 178.78 2kjg h LEU 70 N 0.72 0.21 0.20 1.44 3.38 -0.31 0.23 115.31 121.19 2kjg h LEU 70 Ca 0.15 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2kjg h LEU 70 Cb 0.42 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kjg h LEU 70 CO 0.01 0.14 -0.10 1.56 0.09 0.00 0.00 178.44 180.14 2kjg h GLN 71 N 0.39 -0.26 0.21 1.13 4.20 -1.41 -1.12 115.11 118.25 2kjg h GLN 71 Ca 0.27 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2kjg h GLN 71 Cb 0.31 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2kjg h GLN 71 CO -0.27 -0.08 -0.15 -0.09 -0.67 0.00 0.00 178.83 177.57 2kjg h ARG 72 N -0.39 -0.34 0.00 1.46 2.43 -0.80 -2.92 114.38 113.82 2kjg h ARG 72 Ca -0.03 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2kjg h ARG 72 Cb 0.30 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2kjg h ARG 72 CO 0.05 -0.23 -0.62 1.88 -1.51 0.00 0.00 179.97 179.53 2kjg h TYR 73 N -0.36 0.00 -0.04 2.20 -1.99 -0.61 -3.19 116.97 112.98 2kjg h TYR 73 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 2kjg h TYR 73 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 2kjg h TYR 73 CO -0.10 0.25 -0.33 -0.92 -0.00 0.00 0.00 178.16 177.07 2kjg h TYR 74 N 0.00 0.09 0.00 4.88 3.20 -1.14 0.40 116.97 124.41 2kjg h TYR 74 Ca -0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2kjg h TYR 74 Cb 1.22 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2kjg h TYR 74 CO 0.00 0.41 0.00 0.87 -1.64 0.00 0.00 178.16 177.80 2kjg h LYS 75 N 0.07 0.00 0.00 1.82 1.79 -1.50 -2.44 116.57 116.31 2kjg h LYS 75 Ca 0.01 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.08 2kjg h LYS 75 Cb 0.62 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.21 2kjg h LYS 75 CO 0.05 0.00 -2.32 1.17 -1.08 0.00 0.00 179.45 177.26 2kjg n LYS 76 N -3.07 0.58 -0.03 3.15 4.81 -0.58 -4.83 118.16 118.20 2kjg n LYS 76 Ca 0.02 0.26 -0.03 0.00 -0.87 0.00 0.00 58.31 57.70 2kjg n LYS 76 Cb 0.39 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 2kjg n LYS 76 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2kjg n ILE 77 N -4.28 0.41 0.00 3.15 -5.35 0.13 -5.11 119.36 108.31 2kjg n ILE 77 Ca -0.49 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 2kjg n ILE 77 Cb 0.84 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 2.61 3.62 0.30 3.28 0.00 -0.92 -4.74 105.19 109.33 2kjg n GLY 78 Ca -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 0.47 1.20 -0.48 -0.61 6.09 -1.84 -2.48 117.51 119.87 2kjg h ILE 79 Ca 0.00 -0.70 0.07 0.00 -1.37 0.00 0.00 64.86 62.86 2kjg h ILE 79 Cb 0.00 0.69 -0.06 0.00 0.47 0.00 0.00 36.82 37.92 2kjg h ILE 79 CO 0.00 0.26 0.17 -0.33 -3.07 0.00 0.00 178.15 175.18 2kjg h GLU 80 N 0.70 0.33 -0.04 2.19 3.07 -1.95 0.91 114.58 119.78 2kjg h GLU 80 Ca 0.16 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2kjg h GLU 80 Cb 0.23 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2kjg h GLU 80 CO -0.01 0.22 0.01 -0.97 -1.40 0.00 0.00 179.01 176.86 2kjg h ASN 81 N 0.34 0.06 -0.35 1.42 -0.73 -1.75 -3.03 115.58 111.54 2kjg h ASN 81 Ca 0.23 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 2kjg h ASN 81 Cb 0.24 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 2kjg h ASN 81 CO -0.24 0.23 0.16 0.58 -0.37 0.00 0.00 177.43 177.79 2kjg h VAL 82 N -0.12 1.17 -0.75 2.57 2.07 -1.03 -2.08 116.25 118.08 2kjg h VAL 82 Ca 0.01 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2kjg h VAL 82 Cb 0.19 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 2kjg h VAL 82 CO -0.00 0.18 0.37 0.78 0.02 0.00 0.00 177.57 178.92 2kjg h ASN 83 N 0.42 0.47 -0.30 0.57 2.35 -0.83 0.17 115.58 118.43 2kjg h ASN 83 Ca 0.12 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2kjg h ASN 83 Cb 0.14 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2kjg h ASN 83 CO -0.01 0.25 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.33 2kjg h GLN 84 N 0.60 0.58 -0.69 0.81 -0.00 -1.37 -2.44 115.11 112.60 2kjg h GLN 84 Ca 0.38 -0.22 -0.03 0.00 -0.00 0.00 0.00 58.65 58.78 2kjg h GLN 84 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.87 2kjg h GLN 84 CO -0.30 0.77 0.30 -0.07 0.00 0.00 0.00 178.83 179.53 2kjg h LEU 85 N 0.34 0.91 -0.72 -2.39 3.38 -0.53 -0.60 115.31 115.69 2kjg h LEU 85 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2kjg h LEU 85 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2kjg h LEU 85 CO 0.03 0.79 0.38 0.40 0.09 0.00 0.00 178.44 180.13 2kjg h ILE 86 N 0.98 1.22 -0.70 1.22 1.08 -0.56 -0.58 117.51 120.18 2kjg h ILE 86 Ca 0.24 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 2kjg h ILE 86 Cb 0.15 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 2kjg h ILE 86 CO -0.03 0.25 0.29 -0.07 -0.69 0.00 0.00 178.15 177.90 2kjg h LEU 87 N 1.00 0.95 -1.48 1.44 3.38 -0.83 -1.53 115.31 118.24 2kjg h LEU 87 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kjg h LEU 87 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kjg h LEU 87 CO -0.04 0.86 0.20 0.74 0.09 0.00 0.00 178.44 180.29 2kjg h THR 88 N 0.99 1.14 -0.75 0.22 2.02 -0.60 -2.18 112.91 113.74 2kjg h THR 88 Ca 0.23 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2kjg h THR 88 Cb 0.19 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2kjg h THR 88 CO -0.02 0.15 0.28 0.74 0.37 0.00 0.00 175.52 177.04 2kjg h THR 89 N 0.56 1.26 -0.00 3.16 2.02 -0.05 -2.04 112.91 117.80 2kjg h THR 89 Ca 0.14 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2kjg h THR 89 Cb 0.04 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2kjg h THR 89 CO -0.02 0.34 -0.49 2.30 0.37 0.00 0.00 175.52 178.02 2kjg n ILE 90 N -4.27 0.00 -0.99 3.11 -5.35 -1.12 -3.81 119.36 106.93 2kjg n ILE 90 Ca 0.07 -0.04 -0.16 0.00 -0.27 0.00 0.00 62.75 62.35 2kjg n ILE 90 Cb 0.20 0.39 0.21 0.00 -1.74 0.00 0.00 39.64 38.70 2kjg n ILE 90 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kjg n LYS 91 N -1.24 2.71 -1.30 6.28 5.02 -0.78 -4.74 118.16 124.11 2kjg n LYS 91 Ca 0.07 -2.81 -0.39 0.00 -2.02 0.00 0.00 58.31 53.16 2kjg n LYS 91 Cb 0.34 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 2kjg n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kjg n LEU 92 N -0.66 5.65 -4.67 -0.35 -0.00 -1.17 -4.90 117.00 110.90 2kjg n LEU 92 Ca 0.49 -3.47 -0.41 0.00 -0.00 0.00 0.00 56.01 52.61 2kjg n LEU 92 Cb 1.49 -1.34 -0.04 0.00 -0.00 0.00 0.00 43.42 43.52 2kjg n LEU 92 CO 0.50 0.54 0.59 -1.61 -0.00 0.00 0.00 177.39 177.41 2kjg s GLU 93 N 3.86 4.27 0.00 1.47 2.02 -1.26 -4.99 118.70 124.08 2kjg s GLU 93 Ca 0.52 0.96 -0.31 0.00 0.02 0.00 0.00 54.97 56.16 2kjg s GLU 93 Cb 0.14 -3.58 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 2kjg s GLU 93 CO 0.01 -0.34 1.94 -2.39 0.02 0.00 0.00 175.26 174.50 2kjg n HIS 94 N 5.29 2.47 -3.37 1.61 1.44 -1.26 -4.91 115.22 116.49 2kjg n HIS 94 Ca 0.04 -0.26 -0.44 0.00 -2.01 0.00 0.00 57.72 55.04 2kjg n HIS 94 Cb 0.49 -2.76 -0.01 0.00 0.12 0.00 0.00 29.99 27.82 2kjg n HIS 94 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kjg s HIS 95 N 4.27 4.17 -0.13 -1.40 2.46 -1.26 -4.90 115.29 118.50 2kjg s HIS 95 Ca 0.90 -2.64 -0.22 0.00 0.47 0.00 0.00 55.06 53.57 2kjg s HIS 95 Cb -0.51 -3.77 0.05 0.00 -0.13 0.00 0.00 32.58 28.22 2kjg s HIS 95 CO 0.45 -0.93 0.55 -1.01 -2.47 0.00 0.00 174.74 171.32 2kjg s HIS 96 N -1.08 -0.54 -0.41 3.88 3.76 -1.26 -5.11 115.29 114.53 2kjg s HIS 96 Ca 0.29 1.16 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 2kjg s HIS 96 Cb -0.10 0.24 0.19 0.00 1.11 0.00 0.00 32.58 34.02 2kjg s HIS 96 CO -0.09 -0.40 0.38 1.58 -0.85 0.00 0.00 174.74 175.36 2kjg n HIS 97 N 1.96 -0.89 -3.60 1.40 -0.00 -1.26 -5.06 115.22 107.76 2kjg n HIS 97 Ca -0.17 -3.32 -0.01 0.00 0.46 0.00 0.00 57.72 54.68 2kjg n HIS 97 Cb 0.56 0.17 -0.06 0.00 -0.12 0.00 0.00 29.99 30.54 2kjg n HIS 97 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kjg s HIS 98 N -0.17 -0.57 -2.62 1.57 5.65 -1.26 -5.35 115.29 112.54 2kjg s HIS 98 Ca 0.33 1.11 0.21 0.00 0.25 0.00 0.00 55.06 56.96 2kjg s HIS 98 Cb 0.07 0.34 0.17 0.00 -1.18 0.00 0.00 32.58 31.97 2kjg s HIS 98 CO -0.18 -0.28 1.16 -2.39 -0.65 0.00 0.00 174.74 172.40