#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 4.09 0.00 6.12 0.01 -1.26 -4.98 113.70 117.68 2kjg s SER 2 Ca 0.00 -0.19 0.26 0.00 1.31 0.00 0.00 55.95 57.34 2kjg s SER 2 Cb 0.00 -0.92 0.67 0.00 0.21 0.00 0.00 66.02 65.99 2kjg s SER 2 CO 0.00 0.34 1.52 0.00 0.41 0.00 0.00 173.24 175.51 2kjg n ILE 3 N 2.36 0.00 1.26 1.44 3.06 -1.26 -4.12 119.36 122.10 2kjg n ILE 3 Ca -0.17 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 2kjg n ILE 3 Cb 0.52 0.69 0.00 0.00 0.54 0.00 0.00 39.64 41.40 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 -0.04 0.00 0.22 9.51 4.77 -1.26 -2.85 117.00 127.35 2kjg n LEU 4 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2kjg n LEU 4 Cb 0.40 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.76 2kjg n LEU 4 CO 0.22 0.00 0.79 -0.33 -1.33 0.00 0.00 177.39 176.74 2kjg h GLU 5 N 0.00 0.00 -6.18 3.23 5.08 -2.02 -3.46 114.58 111.23 2kjg h GLU 5 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2kjg h GLU 5 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2kjg h GLU 5 CO 0.00 0.10 0.05 0.34 -1.00 0.00 0.00 179.01 178.50 2kjg s ASP 6 N -6.15 7.08 0.28 1.42 -1.08 -1.13 -4.97 116.67 112.10 2kjg s ASP 6 Ca 0.05 1.28 0.08 0.00 -0.52 0.00 0.00 52.55 53.44 2kjg s ASP 6 Cb 0.07 -2.40 0.39 0.00 -1.46 0.00 0.00 42.92 39.51 2kjg s ASP 6 CO 0.66 0.09 1.64 -0.65 0.52 0.00 0.00 175.17 177.43 2kjg h PRO 7 N 5.50 0.14 0.03 4.34 0.11 -1.93 -2.92 132.00 137.27 2kjg h PRO 7 Ca -0.45 -0.08 -0.24 0.00 0.11 0.00 0.00 66.00 65.34 2kjg h PRO 7 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2kjg h PRO 7 CO 0.69 0.64 -1.01 0.93 -0.21 0.00 0.00 178.00 179.04 2kjg h GLU 8 N 0.11 0.40 -0.67 1.05 4.39 -1.95 -3.01 114.58 114.89 2kjg h GLU 8 Ca -0.00 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2kjg h GLU 8 Cb 0.98 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 2kjg h GLU 8 CO 0.08 1.14 0.38 0.35 -1.16 0.00 0.00 179.01 179.81 2kjg h PHE 9 N 0.21 0.91 -0.30 4.33 3.57 -1.90 -0.85 116.94 122.91 2kjg h PHE 9 Ca -0.10 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 2kjg h PHE 9 Cb 1.66 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 2kjg h PHE 9 CO 0.06 0.64 -0.07 -0.24 -2.23 0.00 0.00 178.31 176.47 2kjg h VAL 10 N 0.92 1.21 -0.57 1.41 3.04 -1.55 -1.42 116.25 119.29 2kjg h VAL 10 Ca 0.24 -0.89 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 2kjg h VAL 10 Cb 0.01 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.32 2kjg h VAL 10 CO -0.04 0.30 0.19 0.11 -1.01 0.00 0.00 177.57 177.12 2kjg h LYS 11 N 0.46 0.85 -0.59 4.17 1.57 -1.17 -2.39 116.57 119.47 2kjg h LYS 11 Ca 0.09 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2kjg h LYS 11 Cb 0.41 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2kjg h LYS 11 CO 0.02 0.73 0.19 -0.07 -0.57 0.00 0.00 179.45 179.74 2kjg h LEU 12 N 0.83 0.81 -0.87 2.94 3.38 -0.15 0.51 115.31 122.76 2kjg h LEU 12 Ca 0.19 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2kjg h LEU 12 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kjg h LEU 12 CO -0.01 0.77 -0.25 -0.09 0.09 0.00 0.00 178.44 178.94 2kjg h ARG 13 N 0.86 0.54 -0.01 1.13 9.65 -0.91 0.28 114.38 125.92 2kjg h ARG 13 Ca 0.19 -0.21 -0.15 0.00 -1.10 0.00 0.00 59.98 58.71 2kjg h ARG 13 Cb 0.24 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2kjg h ARG 13 CO -0.01 0.75 -0.69 1.96 2.80 0.00 0.00 179.97 184.78 2kjg h GLN 14 N 0.48 0.08 -0.02 0.20 4.20 -0.95 -2.88 115.11 116.21 2kjg h GLN 14 Ca 0.07 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2kjg h GLN 14 Cb 0.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2kjg h GLN 14 CO 0.05 0.74 -0.80 0.35 -0.67 0.00 0.00 178.83 178.50 2kjg h PHE 15 N 0.05 0.35 0.00 2.96 3.57 -0.40 -3.47 116.94 120.01 2kjg h PHE 15 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2kjg h PHE 15 Cb 1.23 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2kjg h PHE 15 CO 0.01 0.95 0.00 1.17 -2.23 0.00 0.00 178.31 178.21 2kjg n LYS 16 N -3.74 0.00 0.00 1.11 4.81 0.93 -4.43 118.16 116.84 2kjg n LYS 16 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2kjg n LYS 16 Cb 0.75 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.80 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjg n GLY 17 N 0.00 1.12 0.88 3.14 0.00 -1.26 -3.63 105.19 105.43 2kjg n GLY 17 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 2.59 -4.06 1.61 5.02 -1.26 -4.98 118.16 117.08 2kjg n LYS 18 Ca 0.00 -2.88 -0.23 0.00 -2.02 0.00 0.00 58.31 53.18 2kjg n LYS 18 Cb 0.00 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.14 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2kjg s VAL 19 N -2.91 3.24 -0.24 -0.18 -7.23 -1.26 -4.94 120.40 106.88 2kjg s VAL 19 Ca 0.42 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.68 2kjg s VAL 19 Cb 0.35 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2kjg s VAL 19 CO 0.07 -0.21 0.99 0.20 -0.31 0.00 0.00 175.10 175.85 2kjg s ASN 20 N -3.86 7.02 0.18 4.85 0.01 -1.26 -4.94 114.94 116.94 2kjg s ASN 20 Ca 0.38 1.27 -0.13 0.00 -0.71 0.00 0.00 52.86 53.66 2kjg s ASN 20 Cb -0.04 -2.52 0.18 0.00 0.41 0.00 0.00 41.25 39.28 2kjg s ASN 20 CO 0.23 -0.66 1.71 0.15 -1.51 0.00 0.00 177.10 177.02 2kjg h PHE 21 N 7.57 0.10 -0.64 2.20 3.57 -1.98 0.01 116.94 127.77 2kjg h PHE 21 Ca -0.20 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2kjg h PHE 21 Cb 1.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2kjg h PHE 21 CO 0.76 -0.04 0.42 -0.91 -2.23 0.00 0.00 178.31 176.31 2kjg h ASN 22 N 0.19 0.68 0.03 0.41 2.35 -1.99 0.23 115.58 117.48 2kjg h ASN 22 Ca 0.24 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.77 2kjg h ASN 22 Cb 0.33 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.56 2kjg h ASN 22 CO -0.34 0.47 -0.82 0.25 -1.65 0.00 0.00 177.43 175.34 2kjg h LEU 23 N 0.79 0.67 -0.55 1.61 5.85 -1.64 -1.67 115.31 120.38 2kjg h LEU 23 Ca 0.25 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 58.21 2kjg h LEU 23 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2kjg h LEU 23 CO -0.07 1.37 0.35 0.58 -0.34 0.00 0.00 178.44 180.33 2kjg h VAL 24 N 0.05 1.09 -0.84 1.05 2.07 -0.56 0.58 116.25 119.69 2kjg h VAL 24 Ca -0.11 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2kjg h VAL 24 Cb 1.52 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2kjg h VAL 24 CO 0.16 0.13 0.55 -0.03 0.02 0.00 0.00 177.57 178.40 2kjg h MET 25 N 0.70 1.00 -0.18 1.57 1.85 -0.97 0.14 114.93 119.04 2kjg h MET 25 Ca 0.21 -0.06 -0.20 0.00 -0.61 0.00 0.00 59.70 59.04 2kjg h MET 25 Cb -0.02 -0.23 0.00 0.00 0.43 0.00 0.00 31.60 31.79 2kjg h MET 25 CO -0.08 0.66 -0.69 0.37 -0.40 0.00 0.00 176.91 176.78 2kjg h GLN 26 N 1.03 0.72 -0.17 0.39 4.15 -0.24 -2.03 115.11 118.96 2kjg h GLN 26 Ca 0.33 -0.54 0.03 0.00 0.77 0.00 0.00 58.65 59.24 2kjg h GLN 26 Cb 0.04 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2kjg h GLN 26 CO -0.10 1.16 -0.01 0.82 -1.93 0.00 0.00 178.83 178.77 2kjg h ILE 27 N 0.51 0.87 -0.40 2.39 1.08 0.12 0.50 117.51 122.59 2kjg h ILE 27 Ca -0.03 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2kjg h ILE 27 Cb 1.30 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 2kjg h ILE 27 CO 0.14 0.01 0.03 -0.07 -0.69 0.00 0.00 178.15 177.57 2kjg h LEU 28 N 0.05 0.58 -0.14 1.44 3.38 -1.02 0.13 115.31 119.72 2kjg h LEU 28 Ca 0.08 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2kjg h LEU 28 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kjg h LEU 28 CO -0.14 0.62 -0.32 -0.78 0.09 0.00 0.00 178.44 177.91 2kjg h ASP 29 N 0.59 0.53 -0.35 -0.43 3.58 -0.77 -1.90 116.42 117.67 2kjg h ASP 29 Ca 0.13 -0.57 -0.16 0.00 0.42 0.00 0.00 57.03 56.85 2kjg h ASP 29 Cb 0.33 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2kjg h ASP 29 CO 0.01 1.00 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.90 2kjg h GLU 30 N 0.08 0.90 -0.34 0.28 4.81 0.38 -0.55 114.58 120.14 2kjg h GLU 30 Ca 0.00 -0.47 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 2kjg h GLU 30 Cb 0.92 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2kjg h GLU 30 CO 0.07 1.12 -0.29 -0.84 -0.73 0.00 0.00 179.01 178.35 2kjg h ILE 31 N 0.74 1.28 -0.42 2.32 3.07 -0.80 -2.86 117.51 120.85 2kjg h ILE 31 Ca 0.06 -1.41 0.02 0.00 1.55 0.00 0.00 64.86 65.08 2kjg h ILE 31 Cb 0.97 1.32 -0.03 0.00 -0.27 0.00 0.00 36.82 38.81 2kjg h ILE 31 CO 0.09 0.46 0.24 -0.08 -1.05 0.00 0.00 178.15 177.81 2kjg h GLU 32 N 0.61 0.46 -0.22 0.16 4.81 -1.04 0.11 114.58 119.48 2kjg h GLU 32 Ca 0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2kjg h GLU 32 Cb 0.79 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2kjg h GLU 32 CO 0.07 0.31 -0.07 1.37 -0.73 0.00 0.00 179.01 179.96 2kjg h LEU 33 N 0.48 0.31 0.00 1.64 8.10 -0.95 0.22 115.31 125.11 2kjg h LEU 33 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 57.88 58.07 2kjg h LEU 33 Cb 0.03 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 2kjg h LEU 33 CO -0.09 0.43 -0.14 -0.78 -4.11 0.00 0.00 178.44 173.75 2kjg h ASP 34 N 0.32 0.11 -0.91 0.17 1.82 -1.25 -3.31 116.42 113.37 2kjg h ASP 34 Ca 0.07 -0.82 0.08 0.00 -0.39 0.00 0.00 57.03 55.97 2kjg h ASP 34 Cb 0.33 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.24 2kjg h ASP 34 CO 0.02 0.92 0.59 0.25 -1.61 0.00 0.00 179.24 179.41 2kjg h LEU 35 N -0.68 0.89 -8.51 2.28 5.85 -0.47 -3.37 115.31 111.30 2kjg h LEU 35 Ca -0.02 0.01 -0.39 0.00 0.84 0.00 0.00 57.88 58.32 2kjg h LEU 35 Cb 0.95 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2kjg h LEU 35 CO 0.03 0.55 1.26 -0.60 -0.34 0.00 0.00 178.44 179.34 2kjg s ARG 36 N -5.89 2.20 0.00 1.25 3.52 0.73 -0.79 118.95 119.97 2kjg s ARG 36 Ca -0.11 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 2kjg s ARG 36 Cb 0.20 -4.60 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 2kjg s ARG 36 CO 0.80 -3.32 0.00 0.41 -0.81 0.00 0.00 175.30 172.38 2kjg n GLY 37 N 6.10 1.23 0.00 8.12 0.00 -1.26 -4.92 105.19 114.47 2kjg n GLY 37 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kjg n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kjg n SER 38 N 0.00 0.00 -0.09 1.61 3.41 0.03 -5.06 113.62 113.52 2kjg n SER 38 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2kjg n SER 38 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2kjg n SER 38 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kjg n ASP 39 N 0.00 0.73 -3.61 4.04 5.75 -1.26 -4.90 116.55 117.31 2kjg n ASP 39 Ca 0.00 -1.63 -0.41 0.00 -0.01 0.00 0.00 54.79 52.74 2kjg n ASP 39 Cb 0.00 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2kjg n ASP 39 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2kjg n ASN 40 N -0.26 7.19 0.17 -1.12 4.13 -1.26 -4.68 115.26 119.43 2kjg n ASN 40 Ca 0.02 -3.17 0.05 0.00 1.68 0.00 0.00 54.58 53.16 2kjg n ASN 40 Cb 0.48 -1.38 0.52 0.00 -1.54 0.00 0.00 39.78 37.86 2kjg n ASN 40 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2kjg h ILE 41 N 2.91 1.09 -0.35 2.41 2.10 -1.92 -1.62 117.51 122.12 2kjg h ILE 41 Ca 0.60 -0.34 -0.04 0.00 1.08 0.00 0.00 64.86 66.16 2kjg h ILE 41 Cb 0.40 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.14 2kjg h ILE 41 CO 1.50 0.11 0.05 0.07 -1.08 0.00 0.00 178.15 178.80 2kjg h LYS 42 N 0.15 0.53 0.08 2.19 2.10 -1.94 0.88 116.57 120.56 2kjg h LYS 42 Ca 0.04 -0.10 -0.25 0.00 -2.00 0.00 0.00 60.65 58.34 2kjg h LYS 42 Cb 0.14 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2kjg h LYS 42 CO 0.00 0.51 -1.13 1.15 -2.00 0.00 0.00 179.45 177.98 2kjg h THR 43 N 0.51 1.53 -0.89 0.07 2.02 -1.72 -3.02 112.91 111.42 2kjg h THR 43 Ca 0.12 -3.04 0.02 0.00 0.77 0.00 0.00 66.41 64.28 2kjg h THR 43 Cb 0.25 2.84 -0.05 0.00 -1.74 0.00 0.00 68.15 69.45 2kjg h THR 43 CO 0.00 0.88 0.58 0.28 0.37 0.00 0.00 175.52 177.64 2kjg h SER 44 N 0.08 1.00 -0.39 4.18 0.02 -0.57 -1.95 113.55 115.91 2kjg h SER 44 Ca -0.10 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2kjg h SER 44 Cb 1.85 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 64.09 2kjg h SER 44 CO 0.18 0.71 0.00 0.40 -1.14 0.00 0.00 176.83 176.98 2kjg h ILE 45 N 1.17 0.71 -0.38 3.27 1.08 -0.79 -2.69 117.51 119.88 2kjg h ILE 45 Ca 0.33 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.84 2kjg h ILE 45 Cb -0.09 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 34.18 2kjg h ILE 45 CO -0.08 0.02 -0.02 0.40 -0.69 0.00 0.00 178.15 177.78 2kjg h ILE 46 N 0.11 0.69 0.25 -0.67 2.04 -1.24 -0.13 117.51 118.57 2kjg h ILE 46 Ca 0.19 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2kjg h ILE 46 Cb 0.27 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2kjg h ILE 46 CO -0.32 0.01 -0.12 1.88 0.00 0.00 0.00 178.15 179.61 2kjg h TYR 47 N 0.08 -0.31 -0.39 1.37 0.05 -1.30 -1.48 116.97 114.98 2kjg h TYR 47 Ca 0.19 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2kjg h TYR 47 Cb 0.27 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 2kjg h TYR 47 CO -0.28 -0.07 0.25 0.28 -1.05 0.00 0.00 178.16 177.30 2kjg h VAL 48 N -0.52 1.11 -0.49 -2.88 2.07 -1.24 -0.08 116.25 114.22 2kjg h VAL 48 Ca -0.03 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2kjg h VAL 48 Cb 0.39 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2kjg h VAL 48 CO 0.06 0.11 -0.03 1.88 0.02 0.00 0.00 177.57 179.61 2kjg h TYR 49 N 0.53 0.90 0.00 1.57 -1.99 -1.02 -1.65 116.97 115.31 2kjg h TYR 49 Ca 0.14 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2kjg h TYR 49 Cb -0.04 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.44 2kjg h TYR 49 CO -0.04 0.84 -0.14 0.77 -0.00 0.00 0.00 178.16 179.59 2kjg h SER 50 N 0.77 0.00 0.50 3.88 0.02 -0.58 -1.29 113.55 116.84 2kjg h SER 50 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kjg h SER 50 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2kjg h SER 50 CO 0.03 0.14 -0.50 -0.24 -1.14 0.00 0.00 176.83 175.11 2kjg n SER 51 N -3.24 0.51 -2.28 3.07 2.88 -0.10 -4.09 113.62 110.35 2kjg n SER 51 Ca 0.01 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2kjg n SER 51 Cb 0.42 0.26 0.04 0.00 -0.75 0.00 0.00 64.21 64.18 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 -1.50 0.87 -0.34 0.66 8.25 -0.69 -4.96 115.22 117.50 2kjg n HIS 52 Ca 0.06 -1.57 0.21 0.00 -0.26 0.00 0.00 57.72 56.16 2kjg n HIS 52 Cb 0.33 -0.21 0.46 0.00 1.12 0.00 0.00 29.99 31.69 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 2.00 0.55 -0.29 2.41 3.38 -1.39 -2.67 115.31 119.29 2kjg h LEU 53 Ca -0.14 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2kjg h LEU 53 Cb 1.49 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 2kjg h LEU 53 CO 0.18 0.04 -0.09 -0.78 0.09 0.00 0.00 178.44 177.88 2kjg h ASP 54 N 0.45 -0.32 0.24 -0.43 3.58 -1.93 0.11 116.42 118.12 2kjg h ASP 54 Ca 0.66 0.09 -0.19 0.00 0.42 0.00 0.00 57.03 58.01 2kjg h ASP 54 Cb 1.47 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.72 2kjg h ASP 54 CO -0.44 -0.12 -0.75 -0.08 -2.88 0.00 0.00 179.24 174.97 2kjg h GLU 55 N -0.02 0.43 -0.00 0.28 4.57 -1.88 -2.72 114.58 115.23 2kjg h GLU 55 Ca 0.14 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2kjg h GLU 55 Cb 0.24 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2kjg h GLU 55 CO -0.32 1.00 0.00 0.82 -1.18 0.00 0.00 179.01 179.34 2kjg h ILE 56 N 0.29 1.00 0.00 2.32 1.08 -1.16 -1.75 117.51 119.30 2kjg h ILE 56 Ca -0.04 -0.01 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 2kjg h ILE 56 Cb 1.34 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2kjg h ILE 56 CO 0.13 0.00 -0.42 0.08 -0.69 0.00 0.00 178.15 177.26 2kjg h ARG 57 N -0.01 0.00 -0.67 2.37 0.11 -0.90 -1.35 114.38 113.93 2kjg h ARG 57 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 2kjg h ARG 57 Cb 0.01 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2kjg h ARG 57 CO -0.00 0.42 0.44 -0.22 0.10 0.00 0.00 179.97 180.71 2kjg h LYS 58 N 0.00 0.89 -1.97 0.08 3.64 -1.13 -3.14 116.57 114.95 2kjg h LYS 58 Ca -0.00 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.77 2kjg h LYS 58 Cb 1.20 -0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.41 2kjg h LYS 58 CO 0.05 0.59 -0.83 0.09 -2.27 0.00 0.00 179.45 177.08 2kjg n ASN 59 N -4.61 3.43 0.26 4.20 3.02 -0.69 -4.89 115.26 115.99 2kjg n ASN 59 Ca 0.06 -3.45 0.10 0.00 -0.03 0.00 0.00 54.58 51.25 2kjg n ASN 59 Cb 0.02 -0.55 0.70 0.00 -0.61 0.00 0.00 39.78 39.33 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 2.91 0.00 0.31 3.52 2.10 -1.19 -1.03 116.57 123.19 2kjg h LYS 60 Ca 0.14 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.77 2kjg h LYS 60 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2kjg h LYS 60 CO 0.72 0.03 -0.15 0.93 -2.00 0.00 0.00 179.45 178.99 2kjg h GLU 61 N 0.00 -0.40 0.03 0.07 4.39 -1.89 0.18 114.58 116.96 2kjg h GLU 61 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kjg h GLU 61 Cb 0.06 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2kjg h GLU 61 CO 0.00 -0.21 -0.04 0.35 -1.16 0.00 0.00 179.01 177.95 2kjg h PHE 62 N -0.49 -0.09 -0.02 4.33 3.57 -1.65 -1.52 116.94 121.07 2kjg h PHE 62 Ca -0.04 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 2kjg h PHE 62 Cb 0.37 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2kjg h PHE 62 CO -0.04 -0.06 -0.44 1.88 -2.23 0.00 0.00 178.31 177.42 2kjg h TYR 63 N -0.08 0.05 -0.04 0.41 0.05 -1.16 0.14 116.97 116.34 2kjg h TYR 63 Ca 0.01 -0.01 -0.23 0.00 0.05 0.00 0.00 58.73 58.54 2kjg h TYR 63 Cb 0.08 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.82 2kjg h TYR 63 CO -0.10 0.47 -0.91 0.22 -1.05 0.00 0.00 178.16 176.80 2kjg h ASP 64 N 0.03 0.74 -0.08 3.88 1.82 -0.42 -2.02 116.42 120.38 2kjg h ASP 64 Ca -0.00 -0.56 -0.03 0.00 -0.39 0.00 0.00 57.03 56.05 2kjg h ASP 64 Cb 0.80 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 2kjg h ASP 64 CO 0.06 1.35 -0.07 0.24 -1.61 0.00 0.00 179.24 179.21 2kjg h MET 65 N 0.36 0.18 -0.66 0.28 2.86 -1.01 -2.96 114.93 113.99 2kjg h MET 65 Ca -0.08 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 2kjg h MET 65 Cb 1.54 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.18 2kjg h MET 65 CO 0.17 0.60 0.18 -0.84 1.06 0.00 0.00 176.91 178.08 2kjg h ILE 66 N -0.23 1.25 -1.00 -1.22 3.07 -0.78 -1.41 117.51 117.19 2kjg h ILE 66 Ca 0.01 -0.90 0.13 0.00 1.55 0.00 0.00 64.86 65.65 2kjg h ILE 66 Cb 0.57 0.55 -0.09 0.00 -0.27 0.00 0.00 36.82 37.58 2kjg h ILE 66 CO 0.02 0.35 0.63 0.00 -1.05 0.00 0.00 178.15 178.09 2kjg h ALA 67 N 1.20 1.56 0.35 0.16 0.00 -1.38 0.52 119.26 121.67 2kjg h ALA 67 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kjg h ALA 67 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kjg h ALA 67 CO -0.00 0.18 -0.17 1.49 0.00 0.00 0.00 179.25 180.75 2kjg h GLU 68 N 0.95 -0.45 -0.89 0.00 4.57 -1.26 -3.09 114.58 114.42 2kjg h GLU 68 Ca 0.50 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.76 2kjg h GLU 68 Cb 0.54 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 2kjg h GLU 68 CO -0.27 -0.12 0.57 0.82 -1.18 0.00 0.00 179.01 178.83 2kjg h ILE 69 N -0.87 1.11 -0.35 2.32 2.04 -0.54 -1.48 117.51 119.75 2kjg h ILE 69 Ca -0.05 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.49 2kjg h ILE 69 Cb 0.53 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2kjg h ILE 69 CO 0.08 0.20 0.10 -0.07 0.00 0.00 0.00 178.15 178.45 2kjg h LEU 70 N 1.08 0.08 0.00 1.44 3.38 -0.04 0.49 115.31 121.74 2kjg h LEU 70 Ca 0.37 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2kjg h LEU 70 Cb 0.07 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kjg h LEU 70 CO -0.14 0.08 -0.00 1.56 0.09 0.00 0.00 178.44 180.03 2kjg h GLN 71 N 0.23 -0.00 0.16 1.13 4.20 -1.34 -0.45 115.11 119.04 2kjg h GLN 71 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2kjg h GLN 71 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2kjg h GLN 71 CO -0.19 0.25 -0.17 -0.09 -0.67 0.00 0.00 178.83 177.97 2kjg h ARG 72 N -0.26 -0.35 0.00 1.46 2.43 -0.99 -2.94 114.38 113.73 2kjg h ARG 72 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kjg h ARG 72 Cb 0.25 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2kjg h ARG 72 CO 0.00 -0.23 -0.34 1.88 -1.51 0.00 0.00 179.97 179.77 2kjg h TYR 73 N -0.36 0.00 -0.24 2.20 -1.99 -0.05 -2.71 116.97 113.82 2kjg h TYR 73 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 2kjg h TYR 73 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 2kjg h TYR 73 CO -0.14 0.00 -0.26 -0.92 -0.00 0.00 0.00 178.16 176.84 2kjg h TYR 74 N 0.00 0.52 0.00 4.88 3.20 -0.99 0.39 116.97 124.97 2kjg h TYR 74 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2kjg h TYR 74 Cb 0.99 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2kjg h TYR 74 CO 0.00 0.68 -0.14 0.87 -1.64 0.00 0.00 178.16 177.94 2kjg h LYS 75 N 0.41 0.00 0.00 1.82 1.57 -1.49 -2.37 116.57 116.50 2kjg h LYS 75 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2kjg h LYS 75 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2kjg h LYS 75 CO 0.05 0.00 -0.80 -0.22 -0.57 0.00 0.00 179.45 177.91 2kjg h LYS 76 N 0.00 0.00 0.00 3.15 3.64 -1.04 -3.45 116.57 118.87 2kjg h LYS 76 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kjg h LYS 76 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2kjg h LYS 76 CO 0.00 0.87 -0.94 0.44 -2.27 0.00 0.00 179.45 177.55 2kjg n ILE 77 N -4.51 0.00 0.00 2.00 -5.35 0.13 -5.08 119.36 106.55 2kjg n ILE 77 Ca -0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2kjg n ILE 77 Cb 0.56 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 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 2.87 4.17 0.37 3.28 0.00 -0.82 -4.85 105.19 110.21 2kjg n GLY 78 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 1.14 -0.65 -0.61 6.09 -1.82 -1.65 117.51 120.01 2kjg h ILE 79 Ca 0.00 -0.40 0.04 0.00 -1.37 0.00 0.00 64.86 63.13 2kjg h ILE 79 Cb 0.00 -0.14 -0.05 0.00 0.47 0.00 0.00 36.82 37.11 2kjg h ILE 79 CO 0.00 0.21 0.38 -0.33 -3.07 0.00 0.00 178.15 175.35 2kjg h GLU 80 N 1.18 0.72 -0.17 2.19 3.07 -1.95 0.45 114.58 120.07 2kjg h GLU 80 Ca 0.39 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2kjg h GLU 80 Cb 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2kjg h GLU 80 CO -0.13 0.47 -0.04 -0.91 -1.40 0.00 0.00 179.01 177.01 2kjg h ASN 81 N 0.74 0.33 -0.20 1.42 2.35 -1.71 -2.97 115.58 115.53 2kjg h ASN 81 Ca 0.27 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2kjg h ASN 81 Cb 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2kjg h ASN 81 CO -0.13 0.62 0.11 0.58 -1.65 0.00 0.00 177.43 176.95 2kjg h VAL 82 N 0.05 1.12 -0.83 2.81 2.07 -0.73 -1.33 116.25 119.40 2kjg h VAL 82 Ca 0.04 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2kjg h VAL 82 Cb 0.47 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2kjg h VAL 82 CO 0.02 0.12 0.51 0.78 0.02 0.00 0.00 177.57 179.01 2kjg h ASN 83 N 0.21 0.79 -0.17 0.57 2.35 -1.00 0.56 115.58 118.89 2kjg h ASN 83 Ca 0.07 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2kjg h ASN 83 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2kjg h ASN 83 CO -0.01 0.50 0.06 -0.61 -1.65 0.00 0.00 177.43 175.71 2kjg h GLN 84 N 0.92 0.27 0.00 0.81 -0.00 -1.32 -2.64 115.11 113.14 2kjg h GLN 84 Ca 0.37 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.93 2kjg h GLN 84 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 2kjg h GLN 84 CO -0.18 0.38 -0.13 -0.07 0.00 0.00 0.00 178.83 178.83 2kjg h LEU 85 N 0.11 0.00 -0.54 -2.39 3.38 -0.07 0.02 115.31 115.81 2kjg h LEU 85 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2kjg h LEU 85 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2kjg h LEU 85 CO -0.00 0.13 0.12 0.40 0.09 0.00 0.00 178.44 179.17 2kjg h ILE 86 N 0.00 1.25 -0.65 1.22 1.08 -0.66 -1.25 117.51 118.49 2kjg h ILE 86 Ca -0.00 -0.91 -0.06 0.00 -0.39 0.00 0.00 64.86 63.50 2kjg h ILE 86 Cb 0.24 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2kjg h ILE 86 CO 0.02 0.33 0.18 -0.07 -0.69 0.00 0.00 178.15 177.92 2kjg h LEU 87 N 0.78 0.95 -1.48 1.44 3.38 -0.72 -1.30 115.31 118.36 2kjg h LEU 87 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kjg h LEU 87 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2kjg h LEU 87 CO 0.01 0.91 0.15 0.74 0.09 0.00 0.00 178.44 180.33 2kjg h THR 88 N 0.98 1.14 -0.14 0.22 2.02 -0.80 0.10 112.91 116.42 2kjg h THR 88 Ca 0.21 -0.41 -0.22 0.00 0.77 0.00 0.00 66.41 66.76 2kjg h THR 88 Cb 0.31 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2kjg h THR 88 CO -0.00 0.16 -0.79 0.74 0.37 0.00 0.00 175.52 176.00 2kjg h THR 89 N 0.50 1.28 0.14 3.16 2.02 -0.11 -2.40 112.91 117.49 2kjg h THR 89 Ca 0.13 -1.98 -0.30 0.00 0.77 0.00 0.00 66.41 65.03 2kjg h THR 89 Cb 0.09 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2kjg h THR 89 CO -0.01 0.63 -1.51 0.16 0.37 0.00 0.00 175.52 175.15 2kjg h ILE 90 N 0.52 1.01 0.01 3.11 3.07 -1.21 -3.42 117.51 120.60 2kjg h ILE 90 Ca -0.06 -2.44 -0.39 0.00 1.55 0.00 0.00 64.86 63.53 2kjg h ILE 90 Cb 1.42 2.74 -0.07 0.00 -0.27 0.00 0.00 36.82 40.65 2kjg h ILE 90 CO 0.16 0.76 -2.45 1.17 -1.05 0.00 0.00 178.15 176.74 2kjg n LYS 91 N -3.82 0.66 -2.85 0.16 4.81 0.34 -4.69 118.16 112.77 2kjg n LYS 91 Ca -0.25 0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 2kjg n LYS 91 Cb 0.96 -1.53 -0.04 0.00 0.02 0.00 0.00 35.03 34.44 2kjg n LYS 91 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kjg s LEU 92 N -6.51 4.11 0.00 3.14 0.20 -0.90 -4.86 118.68 113.86 2kjg s LEU 92 Ca -0.33 1.13 0.00 0.00 0.69 0.00 0.00 54.13 55.61 2kjg s LEU 92 Cb 0.09 -3.26 0.00 0.00 -0.43 0.00 0.00 46.19 42.59 2kjg s LEU 92 CO 0.62 -0.51 0.00 -1.84 -0.29 0.00 0.00 176.35 174.33 2kjg n GLU 93 N 5.87 0.00 -0.96 1.98 0.28 -1.26 -4.65 120.64 121.89 2kjg n GLU 93 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2kjg n GLU 93 Cb 0.48 0.00 0.35 0.00 1.43 0.00 0.00 31.44 33.70 2kjg n GLU 93 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kjg n HIS 94 N 0.00 2.27 0.17 -1.84 8.25 -1.26 -4.59 115.22 118.22 2kjg n HIS 94 Ca 0.00 -0.95 -0.13 0.00 -0.26 0.00 0.00 57.72 56.37 2kjg n HIS 94 Cb 0.00 -0.60 -0.08 0.00 1.12 0.00 0.00 29.99 30.43 2kjg n HIS 94 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjg h HIS 95 N 3.31 -0.41 -2.87 4.41 2.76 -1.95 -3.33 115.15 117.07 2kjg h HIS 95 Ca 0.14 -0.01 -0.70 0.00 -2.20 0.00 0.00 60.37 57.60 2kjg h HIS 95 Cb 2.16 0.13 -0.19 0.00 1.55 0.00 0.00 27.41 31.06 2kjg h HIS 95 CO 1.19 -0.08 0.30 -3.38 -1.30 0.00 0.00 177.93 174.66 2kjg s HIS 96 N -4.64 3.05 -0.55 5.26 -3.43 -1.26 -4.86 115.29 108.86 2kjg s HIS 96 Ca -0.14 -1.08 0.24 0.00 -0.80 0.00 0.00 55.06 53.28 2kjg s HIS 96 Cb 0.02 -4.08 0.94 0.00 -1.43 0.00 0.00 32.58 28.03 2kjg s HIS 96 CO 0.53 -1.35 1.73 1.58 -2.00 0.00 0.00 174.74 175.23 2kjg n HIS 97 N 6.33 0.83 -4.14 0.38 -0.00 -1.25 -4.79 115.22 112.57 2kjg n HIS 97 Ca -0.01 0.30 -0.17 0.00 0.46 0.00 0.00 57.72 58.31 2kjg n HIS 97 Cb 0.44 -0.99 -0.05 0.00 -0.12 0.00 0.00 29.99 29.28 2kjg n HIS 97 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kjg s HIS 98 N -3.26 1.31 -2.27 1.57 -3.43 -1.26 -5.17 115.29 102.77 2kjg s HIS 98 Ca 0.06 -1.44 0.30 0.00 -0.80 0.00 0.00 55.06 53.18 2kjg s HIS 98 Cb 0.10 -0.25 1.44 0.00 -1.43 0.00 0.00 32.58 32.44 2kjg s HIS 98 CO 0.44 -1.11 1.96 0.72 -2.00 0.00 0.00 174.74 174.76