#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 3.21 0.00 7.83 0.01 -1.26 -4.97 113.70 118.52 2kjg s SER 2 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2kjg s SER 2 Cb 0.00 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2kjg s SER 2 CO 0.00 0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.92 2kjg n ILE 3 N 2.77 0.00 1.50 1.44 3.06 -1.26 -4.74 119.36 122.13 2kjg n ILE 3 Ca -0.17 -0.15 0.05 0.00 -2.50 0.00 0.00 62.75 59.98 2kjg n ILE 3 Cb 0.52 0.66 0.28 0.00 0.54 0.00 0.00 39.64 41.64 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 -0.67 0.00 0.24 9.51 4.77 -1.26 -2.19 117.00 127.39 2kjg n LEU 4 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2kjg n LEU 4 Cb 0.00 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.52 2kjg n LEU 4 CO 0.00 0.00 0.86 -0.33 -1.33 0.00 0.00 177.39 176.59 2kjg h GLU 5 N 0.00 0.00 -5.66 3.23 5.08 -2.02 -3.44 114.58 111.77 2kjg h GLU 5 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2kjg h GLU 5 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 2kjg h GLU 5 CO 0.00 0.09 0.10 0.34 -1.00 0.00 0.00 179.01 178.54 2kjg s ASP 6 N -6.02 6.68 0.34 1.42 -1.08 -0.93 -4.96 116.67 112.13 2kjg s ASP 6 Ca 0.03 0.83 0.14 0.00 -0.52 0.00 0.00 52.55 53.02 2kjg s ASP 6 Cb 0.08 -2.34 0.62 0.00 -1.46 0.00 0.00 42.92 39.81 2kjg s ASP 6 CO 0.62 -0.26 1.75 -0.65 0.52 0.00 0.00 175.17 177.15 2kjg h PRO 7 N 7.45 0.00 -0.00 4.34 0.11 -1.90 -2.93 132.00 139.06 2kjg h PRO 7 Ca -0.32 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 2kjg h PRO 7 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2kjg h PRO 7 CO 0.77 0.45 -0.80 0.93 -0.21 0.00 0.00 178.00 179.14 2kjg h GLU 8 N 0.00 0.10 -0.77 1.05 4.39 -1.96 -2.28 114.58 115.10 2kjg h GLU 8 Ca -0.00 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2kjg h GLU 8 Cb 0.84 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2kjg h GLU 8 CO 0.06 0.84 0.35 0.35 -1.16 0.00 0.00 179.01 179.45 2kjg h PHE 9 N 0.06 1.14 -0.13 4.33 3.57 -1.87 0.26 116.94 124.30 2kjg h PHE 9 Ca -0.02 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 2kjg h PHE 9 Cb 1.40 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2kjg h PHE 9 CO 0.01 0.85 -0.56 -0.24 -2.23 0.00 0.00 178.31 176.14 2kjg h VAL 10 N 1.10 1.35 -0.55 1.41 3.04 -1.40 -2.53 116.25 118.68 2kjg h VAL 10 Ca 0.26 -1.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 2kjg h VAL 10 Cb 0.16 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 2kjg h VAL 10 CO -0.03 0.56 0.26 0.11 -1.01 0.00 0.00 177.57 177.46 2kjg h LYS 11 N 0.30 0.77 -0.56 4.17 1.57 -0.86 -1.92 116.57 120.03 2kjg h LYS 11 Ca 0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kjg h LYS 11 Cb 1.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2kjg h LYS 11 CO 0.09 0.60 0.33 -0.07 -0.57 0.00 0.00 179.45 179.84 2kjg h LEU 12 N 0.77 0.67 -1.54 2.94 3.38 -0.54 -0.26 115.31 120.73 2kjg h LEU 12 Ca 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2kjg h LEU 12 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2kjg h LEU 12 CO -0.02 0.52 -0.24 0.03 0.09 0.00 0.00 178.44 178.82 2kjg h ARG 13 N 0.78 0.00 0.01 1.13 2.47 -1.11 0.34 114.38 118.01 2kjg h ARG 13 Ca 0.20 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.68 2kjg h ARG 13 Cb -0.02 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2kjg h ARG 13 CO -0.04 0.24 -0.99 1.96 0.56 0.00 0.00 179.97 181.70 2kjg h GLN 14 N 0.00 0.46 0.11 0.04 4.20 -0.80 -3.26 115.11 115.86 2kjg h GLN 14 Ca -0.00 -0.52 -0.27 0.00 0.06 0.00 0.00 58.65 57.92 2kjg h GLN 14 Cb 0.43 0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.37 2kjg h GLN 14 CO 0.03 1.16 -1.20 0.74 -0.67 0.00 0.00 178.83 178.90 2kjg h PHE 15 N 0.25 0.58 0.00 2.96 0.04 -0.88 -3.48 116.94 116.41 2kjg h PHE 15 Ca -0.10 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.28 2kjg h PHE 15 Cb 1.64 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.75 2kjg h PHE 15 CO 0.07 1.28 0.00 1.63 -0.60 0.00 0.00 178.31 180.69 2kjg n LYS 16 N -3.61 0.00 0.00 1.51 4.76 0.12 -4.42 118.16 116.52 2kjg n LYS 16 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2kjg n LYS 16 Cb 0.99 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.18 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kjg n GLY 17 N 0.00 -0.79 2.98 0.72 0.00 -1.26 -3.79 105.19 103.06 2kjg n GLY 17 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.85 -0.73 -4.48 1.61 5.02 -1.26 -4.95 118.16 111.52 2kjg n LYS 18 Ca 0.00 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.24 2kjg n LYS 18 Cb 0.00 -3.99 -0.11 0.00 -0.02 0.00 0.00 35.03 30.91 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 -1.72 1.58 -0.12 -0.18 -7.23 -1.26 -5.03 120.40 106.44 2kjg s VAL 19 Ca 0.00 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 2kjg s VAL 19 Cb 0.00 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2kjg s VAL 19 CO 0.00 -0.13 1.27 0.20 -0.31 0.00 0.00 175.10 176.13 2kjg s ASN 20 N -3.52 6.96 0.25 4.85 0.01 -1.26 -4.88 114.94 117.35 2kjg s ASN 20 Ca 0.33 1.77 -0.03 0.00 -0.71 0.00 0.00 52.86 54.23 2kjg s ASN 20 Cb 0.07 -2.54 0.43 0.00 0.41 0.00 0.00 41.25 39.61 2kjg s ASN 20 CO 0.15 -0.71 1.83 0.15 -1.51 0.00 0.00 177.10 177.00 2kjg h PHE 21 N 8.02 0.97 -0.83 2.20 3.57 -1.98 -0.39 116.94 128.50 2kjg h PHE 21 Ca -0.30 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.30 2kjg h PHE 21 Cb 1.13 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 2kjg h PHE 21 CO 0.78 0.42 0.50 -0.97 -2.23 0.00 0.00 178.31 176.81 2kjg h ASN 22 N 0.90 0.77 -0.01 0.41 -0.73 -1.98 0.12 115.58 115.05 2kjg h ASN 22 Ca 0.42 0.02 -0.18 0.00 1.87 0.00 0.00 56.30 58.43 2kjg h ASN 22 Cb 0.35 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.82 2kjg h ASN 22 CO -0.24 0.48 -0.70 0.25 -0.37 0.00 0.00 177.43 176.85 2kjg h LEU 23 N 0.90 0.64 -0.85 0.34 5.85 -1.66 -1.94 115.31 118.58 2kjg h LEU 23 Ca 0.37 -0.74 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2kjg h LEU 23 Cb 0.21 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2kjg h LEU 23 CO -0.19 1.30 0.21 0.58 -0.34 0.00 0.00 178.44 180.00 2kjg h VAL 24 N 0.04 1.25 -0.52 1.05 2.07 -0.76 0.42 116.25 119.81 2kjg h VAL 24 Ca -0.08 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2kjg h VAL 24 Cb 1.39 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2kjg h VAL 24 CO 0.14 0.34 0.34 -0.03 0.02 0.00 0.00 177.57 178.38 2kjg h MET 25 N 1.02 0.66 -0.00 1.57 1.85 -0.74 0.13 114.93 119.43 2kjg h MET 25 Ca 0.22 -0.04 -0.22 0.00 -0.61 0.00 0.00 59.70 59.05 2kjg h MET 25 Cb 0.29 -0.15 0.02 0.00 0.43 0.00 0.00 31.60 32.19 2kjg h MET 25 CO -0.01 0.44 -0.86 0.37 -0.40 0.00 0.00 176.91 176.45 2kjg h GLN 26 N 0.68 0.59 -0.10 0.39 4.15 -0.43 -2.77 115.11 117.62 2kjg h GLN 26 Ca 0.19 -0.63 0.03 0.00 0.77 0.00 0.00 58.65 59.02 2kjg h GLN 26 Cb -0.05 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 2kjg h GLN 26 CO -0.04 1.24 -0.11 0.82 -1.93 0.00 0.00 178.83 178.81 2kjg h ILE 27 N 0.20 0.70 -0.29 2.39 1.08 0.92 0.42 117.51 122.94 2kjg h ILE 27 Ca -0.11 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 2kjg h ILE 27 Cb 1.54 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 2kjg h ILE 27 CO 0.17 0.00 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.49 2kjg h LEU 28 N -0.13 0.45 -0.11 1.44 3.38 -0.90 -0.96 115.31 118.47 2kjg h LEU 28 Ca 0.08 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2kjg h LEU 28 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kjg h LEU 28 CO -0.18 0.57 -0.35 -0.78 0.09 0.00 0.00 178.44 177.79 2kjg h ASP 29 N 0.45 0.50 -0.45 -0.43 3.58 -1.04 -2.48 116.42 116.55 2kjg h ASP 29 Ca 0.09 -0.60 -0.08 0.00 0.42 0.00 0.00 57.03 56.86 2kjg h ASP 29 Cb 0.40 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2kjg h ASP 29 CO 0.02 1.02 -0.01 -0.08 -2.88 0.00 0.00 179.24 177.30 2kjg h GLU 30 N 0.01 0.87 -0.19 0.28 4.81 0.13 0.78 114.58 121.27 2kjg h GLU 30 Ca -0.01 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 58.78 2kjg h GLU 30 Cb 0.97 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2kjg h GLU 30 CO 0.07 0.88 -0.63 -0.84 -0.73 0.00 0.00 179.01 177.76 2kjg h ILE 31 N 0.81 1.31 0.24 2.32 3.07 -1.24 -2.98 117.51 121.03 2kjg h ILE 31 Ca 0.15 -1.87 -0.01 0.00 1.55 0.00 0.00 64.86 64.68 2kjg h ILE 31 Cb 0.50 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 2kjg h ILE 31 CO 0.02 0.59 -0.11 -0.08 -1.05 0.00 0.00 178.15 177.52 2kjg h GLU 32 N 0.50 -0.31 -0.07 0.16 4.81 -0.91 0.47 114.58 119.23 2kjg h GLU 32 Ca -0.01 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2kjg h GLU 32 Cb 1.21 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2kjg h GLU 32 CO 0.12 -0.15 -0.12 1.37 -0.73 0.00 0.00 179.01 179.51 2kjg h LEU 33 N -0.40 0.10 -0.01 1.64 8.10 -0.95 -1.23 115.31 122.57 2kjg h LEU 33 Ca -0.03 -0.02 -0.09 0.00 0.11 0.00 0.00 57.88 57.85 2kjg h LEU 33 Cb 0.30 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2kjg h LEU 33 CO 0.05 0.23 -0.35 -0.78 -4.11 0.00 0.00 178.44 173.49 2kjg h ASP 34 N 0.11 0.32 0.26 0.17 3.58 -1.34 -3.24 116.42 116.27 2kjg h ASP 34 Ca 0.02 -0.75 -0.01 0.00 0.42 0.00 0.00 57.03 56.71 2kjg h ASP 34 Cb 0.28 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2kjg h ASP 34 CO 0.02 1.03 -0.05 0.25 -2.88 0.00 0.00 179.24 177.60 2kjg h LEU 35 N -0.36 0.00 -8.48 2.28 5.85 -0.47 -3.39 115.31 110.74 2kjg h LEU 35 Ca -0.04 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.26 2kjg h LEU 35 Cb 1.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2kjg h LEU 35 CO 0.07 0.05 1.26 -0.13 -0.34 0.00 0.00 178.44 179.35 2kjg s ARG 36 N -4.25 2.37 0.00 1.25 1.81 -0.50 -3.60 118.95 116.03 2kjg s ARG 36 Ca -0.03 0.73 0.00 0.00 -1.72 0.00 0.00 55.73 54.70 2kjg s ARG 36 Cb 0.13 -4.56 0.00 0.00 -0.45 0.00 0.00 34.95 30.07 2kjg s ARG 36 CO 0.54 -3.12 0.00 0.41 -0.68 0.00 0.00 175.30 172.45 2kjg n GLY 37 N 6.02 -0.49 0.00 -3.53 0.00 -1.26 -5.00 105.19 100.93 2kjg n GLY 37 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 1.61 3.41 -1.24 -5.11 113.62 112.29 2kjg n SER 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kjg n SER 38 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kjg n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kjg n ASP 39 N 0.00 0.00 -3.64 4.04 -0.08 -1.26 -5.12 116.55 110.49 2kjg n ASP 39 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 2kjg n ASP 39 Cb 0.00 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.41 2kjg n ASP 39 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2kjg s ASN 40 N 1.86 -0.07 0.42 1.67 3.84 -1.26 -5.01 114.94 116.38 2kjg s ASN 40 Ca 0.00 0.12 0.14 0.00 0.21 0.00 0.00 52.86 53.33 2kjg s ASN 40 Cb 0.00 0.11 0.89 0.00 -0.55 0.00 0.00 41.25 41.71 2kjg s ASN 40 CO 0.00 -0.04 1.92 -0.29 -2.79 0.00 0.00 177.10 175.90 2kjg h ILE 41 N 2.72 1.16 -0.23 -5.21 2.10 -1.96 -1.92 117.51 114.17 2kjg h ILE 41 Ca -0.20 -0.93 0.05 0.00 1.08 0.00 0.00 64.86 64.85 2kjg h ILE 41 Cb 1.19 1.51 -0.04 0.00 -1.09 0.00 0.00 36.82 38.38 2kjg h ILE 41 CO 0.20 0.26 -0.06 0.11 -1.08 0.00 0.00 178.15 177.58 2kjg h LYS 42 N 0.00 -0.01 -0.33 2.19 1.57 -1.96 0.21 116.57 118.24 2kjg h LYS 42 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2kjg h LYS 42 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2kjg h LYS 42 CO 0.03 -0.01 0.18 1.15 -0.57 0.00 0.00 179.45 180.24 2kjg h THR 43 N -0.01 1.02 -0.97 -0.16 2.02 -1.79 -1.79 112.91 111.23 2kjg h THR 43 Ca 0.11 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2kjg h THR 43 Cb 0.18 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 2kjg h THR 43 CO -0.24 0.07 0.63 0.28 0.37 0.00 0.00 175.52 176.63 2kjg h SER 44 N 0.38 1.04 -0.78 4.18 0.02 -0.68 -1.51 113.55 116.21 2kjg h SER 44 Ca 0.13 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2kjg h SER 44 Cb 0.01 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 2kjg h SER 44 CO -0.07 0.70 0.49 0.40 -1.14 0.00 0.00 176.83 177.21 2kjg h ILE 45 N 1.20 1.09 -0.28 3.27 1.08 0.13 -3.01 117.51 120.98 2kjg h ILE 45 Ca 0.40 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 2kjg h ILE 45 Cb 0.05 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.86 2kjg h ILE 45 CO -0.13 0.17 0.16 0.40 -0.69 0.00 0.00 178.15 178.06 2kjg h ILE 46 N 0.93 1.03 0.07 -0.67 2.04 -0.47 0.17 117.51 120.61 2kjg h ILE 46 Ca 0.32 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 2kjg h ILE 46 Cb 0.06 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2kjg h ILE 46 CO -0.13 0.06 -0.04 1.88 0.00 0.00 0.00 178.15 179.93 2kjg h TYR 47 N 0.34 -0.09 -0.24 1.37 0.05 -1.40 -0.53 116.97 116.47 2kjg h TYR 47 Ca 0.11 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2kjg h TYR 47 Cb -0.00 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2kjg h TYR 47 CO -0.08 0.03 0.11 0.28 -1.05 0.00 0.00 178.16 177.45 2kjg h VAL 48 N -0.19 1.15 -0.66 -2.88 2.07 -1.43 -0.79 116.25 113.52 2kjg h VAL 48 Ca -0.01 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 2kjg h VAL 48 Cb 0.16 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2kjg h VAL 48 CO 0.02 0.14 0.11 1.88 0.02 0.00 0.00 177.57 179.75 2kjg h TYR 49 N 0.25 1.15 0.00 1.57 -1.99 -0.89 -0.45 116.97 116.60 2kjg h TYR 49 Ca 0.08 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.58 2kjg h TYR 49 Cb 0.13 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 2kjg h TYR 49 CO -0.02 0.96 -0.39 0.77 -0.00 0.00 0.00 178.16 179.48 2kjg h SER 50 N 1.02 0.00 0.75 3.88 0.02 -0.77 -1.23 113.55 117.21 2kjg h SER 50 Ca 0.20 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.90 2kjg h SER 50 Cb 0.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2kjg h SER 50 CO 0.01 0.39 -1.26 -1.28 -1.14 0.00 0.00 176.83 173.55 2kjg h SER 51 N 0.00 0.16 -0.56 3.07 0.87 -0.76 -3.34 113.55 112.99 2kjg h SER 51 Ca -0.00 -0.20 -0.38 0.00 -1.23 0.00 0.00 61.79 59.98 2kjg h SER 51 Cb 0.80 -0.05 -0.25 0.00 -0.44 0.00 0.00 62.40 62.46 2kjg h SER 51 CO 0.05 1.16 -0.31 1.41 -0.53 0.00 0.00 176.83 178.61 2kjg n HIS 52 N -3.36 1.93 -0.34 2.24 -0.00 -0.21 -4.82 115.22 110.66 2kjg n HIS 52 Ca -0.07 -2.05 0.21 0.00 -0.00 0.00 0.00 57.72 55.81 2kjg n HIS 52 Cb 0.99 -0.53 0.45 0.00 -0.00 0.00 0.00 29.99 30.90 2kjg n HIS 52 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2kjg h LEU 53 N 1.63 0.57 -0.23 2.41 3.38 -1.36 -2.40 115.31 119.30 2kjg h LEU 53 Ca 0.31 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.47 2kjg h LEU 53 Cb 1.41 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 2kjg h LEU 53 CO 0.66 0.03 -0.11 -0.78 0.09 0.00 0.00 178.44 178.33 2kjg h ASP 54 N 0.45 -0.37 0.02 -0.43 3.58 -1.87 0.21 116.42 118.02 2kjg h ASP 54 Ca 0.67 0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.99 2kjg h ASP 54 Cb 1.47 0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.73 2kjg h ASP 54 CO -0.47 -0.14 -0.79 -0.08 -2.88 0.00 0.00 179.24 174.88 2kjg h GLU 55 N -0.08 0.64 0.00 0.28 4.57 -1.84 -3.04 114.58 115.11 2kjg h GLU 55 Ca 0.12 -0.54 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 2kjg h GLU 55 Cb 0.27 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2kjg h GLU 55 CO -0.28 1.16 -0.14 0.82 -1.18 0.00 0.00 179.01 179.38 2kjg h ILE 56 N 0.43 0.65 -0.38 2.32 1.08 -1.17 -2.44 117.51 117.99 2kjg h ILE 56 Ca -0.05 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.32 2kjg h ILE 56 Cb 1.41 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 2kjg h ILE 56 CO 0.15 0.00 -0.18 0.08 -0.69 0.00 0.00 178.15 177.52 2kjg h ARG 57 N -0.24 0.72 0.00 2.37 0.11 -0.66 -1.48 114.38 115.19 2kjg h ARG 57 Ca 0.05 -0.26 -0.06 0.00 0.10 0.00 0.00 59.98 59.81 2kjg h ARG 57 Cb 0.30 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2kjg h ARG 57 CO -0.14 0.85 -0.28 0.87 0.10 0.00 0.00 179.97 181.37 2kjg h LYS 58 N 0.64 0.00 -1.23 0.08 1.57 -1.38 -3.14 116.57 113.11 2kjg h LYS 58 Ca 0.10 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.41 2kjg h LYS 58 Cb 0.65 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.55 2kjg h LYS 58 CO 0.05 0.28 -0.97 0.09 -0.57 0.00 0.00 179.45 178.33 2kjg n ASN 59 N -3.45 3.04 0.08 0.86 3.02 -0.94 -4.89 115.26 112.99 2kjg n ASN 59 Ca -0.00 -3.19 0.12 0.00 -0.03 0.00 0.00 54.58 51.48 2kjg n ASN 59 Cb 0.46 -0.49 0.61 0.00 -0.61 0.00 0.00 39.78 39.75 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 2.78 0.12 0.02 3.52 -0.00 -1.22 0.24 116.57 122.03 2kjg h LYS 60 Ca 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.65 60.74 2kjg h LYS 60 Cb 1.06 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2kjg h LYS 60 CO 0.66 0.08 -0.01 0.93 -0.00 0.00 0.00 179.45 181.12 2kjg h GLU 61 N 0.13 -0.02 0.07 0.07 3.07 -1.90 0.39 114.58 116.38 2kjg h GLU 61 Ca 0.15 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2kjg h GLU 61 Cb 0.43 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2kjg h GLU 61 CO -0.02 0.21 -0.04 0.35 -1.40 0.00 0.00 179.01 178.11 2kjg h PHE 62 N -0.26 -0.10 0.00 4.33 3.57 -1.61 -0.65 116.94 122.22 2kjg h PHE 62 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2kjg h PHE 62 Cb 0.25 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kjg h PHE 62 CO 0.00 -0.06 -0.27 1.88 -2.23 0.00 0.00 178.31 177.63 2kjg h TYR 63 N -0.11 0.00 -0.01 0.41 0.05 -0.99 -0.10 116.97 116.23 2kjg h TYR 63 Ca -0.01 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 2kjg h TYR 63 Cb 0.09 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.84 2kjg h TYR 63 CO -0.08 0.27 -0.55 0.22 -1.05 0.00 0.00 178.16 176.97 2kjg h ASP 64 N 0.00 0.50 0.08 3.88 3.58 -0.63 -2.16 116.42 121.67 2kjg h ASP 64 Ca -0.00 -0.76 -0.00 0.00 0.42 0.00 0.00 57.03 56.69 2kjg h ASP 64 Cb 0.69 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2kjg h ASP 64 CO 0.04 1.19 -0.04 0.24 -2.88 0.00 0.00 179.24 177.78 2kjg h MET 65 N -0.14 -0.10 -0.64 0.28 2.86 -0.87 -1.88 114.93 114.44 2kjg h MET 65 Ca -0.07 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2kjg h MET 65 Cb 1.27 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 2kjg h MET 65 CO 0.11 -0.02 0.14 -0.84 1.06 0.00 0.00 176.91 177.36 2kjg h ILE 66 N -0.16 1.25 -0.91 -1.22 3.07 -1.12 -1.36 117.51 117.05 2kjg h ILE 66 Ca -0.01 -0.94 0.02 0.00 1.55 0.00 0.00 64.86 65.48 2kjg h ILE 66 Cb 0.13 0.61 -0.05 0.00 -0.27 0.00 0.00 36.82 37.25 2kjg h ILE 66 CO 0.02 0.35 0.60 0.00 -1.05 0.00 0.00 178.15 178.07 2kjg h ALA 67 N 1.19 1.18 0.48 0.16 0.00 -1.20 0.55 119.26 121.61 2kjg h ALA 67 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kjg h ALA 67 Cb 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kjg h ALA 67 CO 0.00 0.50 -0.23 1.49 0.00 0.00 0.00 179.25 181.01 2kjg h GLU 68 N 1.19 -0.62 -0.79 0.00 4.57 -0.98 -2.82 114.58 115.13 2kjg h GLU 68 Ca 0.35 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.61 2kjg h GLU 68 Cb -0.07 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 2kjg h GLU 68 CO -0.10 -0.36 0.49 0.82 -1.18 0.00 0.00 179.01 178.69 2kjg h ILE 69 N -0.76 1.08 -0.43 2.32 2.04 -0.61 -0.03 117.51 121.12 2kjg h ILE 69 Ca -0.07 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2kjg h ILE 69 Cb 0.55 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2kjg h ILE 69 CO 0.11 0.17 0.08 -0.07 0.00 0.00 0.00 178.15 178.44 2kjg h LEU 70 N 0.94 -0.00 -0.08 1.44 3.38 0.11 0.47 115.31 121.57 2kjg h LEU 70 Ca 0.33 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 2kjg h LEU 70 Cb 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kjg h LEU 70 CO -0.14 0.03 -0.08 1.56 0.09 0.00 0.00 178.44 179.91 2kjg h GLN 71 N 0.21 0.19 -0.71 1.13 4.20 -1.17 -0.30 115.11 118.66 2kjg h GLN 71 Ca 0.21 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2kjg h GLN 71 Cb 0.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2kjg h GLN 71 CO -0.28 0.62 0.46 -0.09 -0.67 0.00 0.00 178.83 178.88 2kjg h ARG 72 N -0.23 0.90 0.00 1.46 2.43 -0.67 -2.86 114.38 115.41 2kjg h ARG 72 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kjg h ARG 72 Cb 0.59 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2kjg h ARG 72 CO 0.02 0.59 -1.06 0.66 -1.51 0.00 0.00 179.97 178.67 2kjg n TYR 73 N -4.62 0.34 0.19 2.20 4.02 0.16 -3.36 117.16 116.09 2kjg n TYR 73 Ca 0.07 0.10 0.03 0.00 -0.01 0.00 0.00 57.90 58.08 2kjg n TYR 73 Cb 0.04 -0.51 0.36 0.00 -0.02 0.00 0.00 39.34 39.22 2kjg n TYR 73 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2kjg h TYR 74 N 0.00 0.00 0.00 -0.72 3.20 -0.82 0.39 116.97 119.02 2kjg h TYR 74 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2kjg h TYR 74 Cb 0.77 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2kjg h TYR 74 CO 0.00 0.38 -0.73 0.87 -1.64 0.00 0.00 178.16 177.03 2kjg h LYS 75 N 0.00 0.00 0.00 1.82 1.79 -1.60 -2.68 116.57 115.89 2kjg h LYS 75 Ca -0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2kjg h LYS 75 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2kjg h LYS 75 CO 0.05 0.73 -0.82 -0.22 -1.08 0.00 0.00 179.45 178.11 2kjg h LYS 76 N 0.00 0.00 0.00 3.15 3.64 -1.40 -3.44 116.57 118.52 2kjg h LYS 76 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kjg h LYS 76 Cb 1.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2kjg h LYS 76 CO 0.10 0.84 -1.03 0.44 -2.27 0.00 0.00 179.45 177.52 2kjg n ILE 77 N -4.51 0.02 0.00 2.00 -5.35 0.13 -5.09 119.36 106.55 2kjg n ILE 77 Ca -0.23 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2kjg n ILE 77 Cb 0.55 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 2.81 3.23 0.30 3.28 0.00 -0.55 -4.73 105.19 109.54 2kjg n GLY 78 Ca -0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 1.25 -0.78 -0.61 6.09 -1.82 -2.17 117.51 119.46 2kjg h ILE 79 Ca 0.00 -0.98 0.08 0.00 -1.37 0.00 0.00 64.86 62.59 2kjg h ILE 79 Cb 0.00 0.76 -0.07 0.00 0.47 0.00 0.00 36.82 37.98 2kjg h ILE 79 CO 0.00 0.35 0.45 -0.33 -3.07 0.00 0.00 178.15 175.55 2kjg h GLU 80 N 0.84 0.76 0.00 2.19 3.07 -1.97 0.20 114.58 119.68 2kjg h GLU 80 Ca 0.17 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2kjg h GLU 80 Cb 0.41 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2kjg h GLU 80 CO 0.01 0.50 -0.00 -0.91 -1.40 0.00 0.00 179.01 177.21 2kjg h ASN 81 N 0.78 -0.00 -0.86 1.42 2.35 -1.76 -3.01 115.58 114.50 2kjg h ASN 81 Ca 0.36 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2kjg h ASN 81 Cb 0.28 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 2kjg h ASN 81 CO -0.22 0.35 0.46 0.58 -1.65 0.00 0.00 177.43 176.95 2kjg h VAL 82 N -0.36 1.25 -0.43 2.81 2.07 -0.76 -1.10 116.25 119.74 2kjg h VAL 82 Ca -0.00 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2kjg h VAL 82 Cb 0.35 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 2kjg h VAL 82 CO 0.00 0.29 -0.13 -1.13 0.02 0.00 0.00 177.57 176.62 2kjg h ASN 83 N 1.21 -0.46 -0.29 0.57 -0.73 -0.64 0.22 115.58 115.47 2kjg h ASN 83 Ca 0.30 0.14 -0.17 0.00 1.87 0.00 0.00 56.30 58.43 2kjg h ASN 83 Cb 0.04 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 2kjg h ASN 83 CO -0.05 -0.16 -0.50 -0.61 -0.37 0.00 0.00 177.43 175.74 2kjg h GLN 84 N -0.03 0.85 -0.34 6.67 -0.00 -1.30 -2.62 115.11 118.34 2kjg h GLN 84 Ca 0.21 -0.53 -0.06 0.00 -0.00 0.00 0.00 58.65 58.27 2kjg h GLN 84 Cb 0.34 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 2kjg h GLN 84 CO -0.45 1.16 -0.06 -0.07 0.00 0.00 0.00 178.83 179.41 2kjg h LEU 85 N 0.62 0.52 -0.38 -2.39 3.38 -0.28 0.13 115.31 116.91 2kjg h LEU 85 Ca 0.02 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2kjg h LEU 85 Cb 1.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kjg h LEU 85 CO 0.11 0.63 -0.19 0.40 0.09 0.00 0.00 178.44 179.49 2kjg h ILE 86 N 0.51 1.28 -0.81 1.22 1.08 -0.50 -1.68 117.51 118.61 2kjg h ILE 86 Ca 0.10 -1.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.23 2kjg h ILE 86 Cb 0.42 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2kjg h ILE 86 CO 0.02 0.44 0.41 -0.07 -0.69 0.00 0.00 178.15 178.26 2kjg h LEU 87 N 0.61 1.05 -1.32 1.44 3.38 -1.01 0.58 115.31 120.03 2kjg h LEU 87 Ca 0.09 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2kjg h LEU 87 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kjg h LEU 87 CO 0.06 0.87 -0.05 0.74 0.09 0.00 0.00 178.44 180.15 2kjg h THR 88 N 1.14 1.18 -0.02 0.22 2.02 -0.88 -0.96 112.91 115.61 2kjg h THR 88 Ca 0.28 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2kjg h THR 88 Cb 0.09 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2kjg h THR 88 CO -0.04 0.25 -0.15 0.74 0.37 0.00 0.00 175.52 176.69 2kjg h THR 89 N 0.38 1.52 -0.03 3.16 2.02 -0.30 -3.35 112.91 116.31 2kjg h THR 89 Ca 0.08 -1.73 -0.17 0.00 0.77 0.00 0.00 66.41 65.36 2kjg h THR 89 Cb 0.33 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2kjg h THR 89 CO 0.01 0.47 -0.74 0.16 0.37 0.00 0.00 175.52 175.80 2kjg h ILE 90 N -0.50 1.45 -0.79 3.11 3.07 -0.82 -3.44 117.51 119.59 2kjg h ILE 90 Ca -0.01 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 64.08 2kjg h ILE 90 Cb 0.85 2.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 2kjg h ILE 90 CO 0.03 0.68 0.00 1.17 -1.05 0.00 0.00 178.15 178.98 2kjg n LYS 91 N -3.76 3.79 -3.12 0.16 3.00 -0.38 -4.18 118.16 113.68 2kjg n LYS 91 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.26 2kjg n LYS 91 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.74 2kjg n LYS 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2kjg n LEU 92 N 0.00 -6.42 -4.66 3.14 7.94 -1.26 -4.85 117.00 110.89 2kjg n LEU 92 Ca 0.00 -0.17 -0.38 0.00 -1.11 0.00 0.00 56.01 54.35 2kjg n LEU 92 Cb 0.00 -3.21 -0.08 0.00 0.53 0.00 0.00 43.42 40.66 2kjg n LEU 92 CO 0.00 -0.95 0.01 -1.83 -1.11 0.00 0.00 177.39 173.51 2kjg s GLU 93 N -3.22 4.12 0.16 1.96 1.03 -1.26 -5.02 118.70 116.47 2kjg s GLU 93 Ca 0.03 0.04 0.00 0.00 0.03 0.00 0.00 54.97 55.07 2kjg s GLU 93 Cb -0.01 -3.56 -0.04 0.00 -0.80 0.00 0.00 34.13 29.72 2kjg s GLU 93 CO 0.76 -0.05 0.03 -1.01 -1.33 0.00 0.00 175.26 173.66 2kjg s HIS 94 N 1.36 1.06 0.00 4.83 3.76 -1.26 -5.10 115.29 119.95 2kjg s HIS 94 Ca 0.15 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 2kjg s HIS 94 Cb -0.15 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 32.94 2kjg s HIS 94 CO 0.07 -0.36 0.00 0.72 -0.85 0.00 0.00 174.74 174.33 2kjg n HIS 95 N -0.18 -1.57 0.19 1.40 8.25 -1.26 -4.47 115.22 117.58 2kjg n HIS 95 Ca -0.06 0.02 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 2kjg n HIS 95 Cb 0.64 0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.83 2kjg n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjg h HIS 96 N -0.02 -0.50 -6.90 4.41 -0.00 -2.06 -3.47 115.15 106.61 2kjg h HIS 96 Ca 0.00 -0.01 -0.41 0.00 -0.00 0.00 0.00 60.37 59.95 2kjg h HIS 96 Cb 0.02 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 2kjg h HIS 96 CO 0.00 -0.31 -0.74 1.58 -0.00 0.00 0.00 177.93 178.46 2kjg n HIS 97 N -4.75 -1.08 -3.67 5.26 -0.00 -1.26 -4.95 115.22 104.77 2kjg n HIS 97 Ca -0.07 0.17 -0.13 0.00 -0.00 0.00 0.00 57.72 57.70 2kjg n HIS 97 Cb 0.21 -1.94 -0.08 0.00 -0.00 0.00 0.00 29.99 28.19 2kjg n HIS 97 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kjg s HIS 98 N -3.64 -0.69 0.00 1.57 3.76 -1.26 -5.04 115.29 110.00 2kjg s HIS 98 Ca 0.26 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.80 2kjg s HIS 98 Cb -0.15 0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.81 2kjg s HIS 98 CO 0.68 -0.34 0.00 0.72 -0.85 0.00 0.00 174.74 174.95