#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj9 h SER 2 N 0.00 0.85 -0.09 4.39 0.02 -2.00 -3.26 113.55 113.46 2kj9 h SER 2 Ca 0.00 -0.84 -0.08 0.00 -0.84 0.00 0.00 61.79 60.03 2kj9 h SER 2 Cb 0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2kj9 h SER 2 CO 0.00 1.60 -0.19 0.58 -1.14 0.00 0.00 176.83 177.69 2kj9 h VAL 3 N 0.21 1.25 -3.35 2.27 2.07 -2.09 -3.44 116.25 113.16 2kj9 h VAL 3 Ca -0.19 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2kj9 h VAL 3 Cb 1.91 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2kj9 h VAL 3 CO 0.24 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.19 2kj9 n GLN 4 N -4.17 1.87 -3.19 1.57 6.02 -1.23 -5.05 117.38 113.21 2kj9 n GLN 4 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2kj9 n GLN 4 Cb 0.36 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.55 2kj9 n GLN 4 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2kj9 s GLU 5 N 0.32 3.53 0.48 -1.09 2.02 -1.26 -4.85 118.70 117.85 2kj9 s GLU 5 Ca 0.00 -0.19 0.14 0.00 0.02 0.00 0.00 54.97 54.94 2kj9 s GLU 5 Cb 0.00 -3.85 1.15 0.00 0.10 0.00 0.00 34.13 31.53 2kj9 s GLU 5 CO 0.00 -0.75 2.09 0.87 0.02 0.00 0.00 175.26 177.48 2kj9 h LYS 6 N 8.56 0.19 -4.98 1.61 1.57 -1.91 -3.36 116.57 118.25 2kj9 h LYS 6 Ca -0.27 -0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 57.84 2kj9 h LYS 6 Cb 1.11 -0.04 -0.28 0.00 0.08 0.00 0.00 32.23 33.10 2kj9 h LYS 6 CO 0.81 0.13 -0.72 1.03 -0.57 0.00 0.00 179.45 180.13 2kj9 s ARG 7 N -5.21 3.32 -0.00 3.15 0.52 -1.26 -5.00 118.95 114.47 2kj9 s ARG 7 Ca -0.06 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2kj9 s ARG 7 Cb 0.18 -3.02 -0.26 0.00 0.52 0.00 0.00 34.95 32.37 2kj9 s ARG 7 CO 0.70 -0.22 3.51 0.27 0.02 0.00 0.00 175.30 179.58 2kj9 n ASN 8 N 4.79 5.04 -0.11 0.23 6.94 -1.26 -3.71 115.26 127.18 2kj9 n ASN 8 Ca -0.18 -2.44 -0.14 0.00 -0.02 0.00 0.00 54.58 51.80 2kj9 n ASN 8 Cb 0.50 -1.37 -0.12 0.00 -2.36 0.00 0.00 39.78 36.44 2kj9 n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kj9 n ASN 9 N 2.52 1.77 -4.79 0.53 2.85 -1.26 -4.63 115.26 112.24 2kj9 n ASN 9 Ca 0.41 -0.09 -0.38 0.00 -0.11 0.00 0.00 54.58 54.42 2kj9 n ASN 9 Cb 0.88 0.02 -0.06 0.00 1.24 0.00 0.00 39.78 41.86 2kj9 n ASN 9 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kj9 s THR 10 N -2.45 4.99 0.00 -0.44 -4.23 -1.24 -3.91 115.64 108.36 2kj9 s THR 10 Ca -0.24 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2kj9 s THR 10 Cb 0.07 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2kj9 s THR 10 CO 0.58 0.49 0.00 0.54 -0.54 0.00 0.00 174.62 175.69 2kj9 n ARG 11 N 2.38 -0.44 -1.81 3.99 1.74 -1.26 -4.95 116.66 116.30 2kj9 n ARG 11 Ca -0.11 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2kj9 n ARG 11 Cb 0.52 -4.12 -0.01 0.00 -1.02 0.00 0.00 32.46 27.83 2kj9 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kj9 s ALA 12 N -1.64 3.67 0.40 7.54 0.00 -1.25 -4.54 121.76 125.93 2kj9 s ALA 12 Ca 0.00 1.55 0.15 0.00 0.00 0.00 0.00 51.96 53.66 2kj9 s ALA 12 Cb 0.00 -3.62 1.02 0.00 0.00 0.00 0.00 23.12 20.51 2kj9 s ALA 12 CO 0.00 -0.99 1.86 0.35 0.00 0.00 0.00 175.76 176.98 2kj9 h PHE 13 N 4.11 0.61 -0.18 0.00 3.04 -1.77 0.22 116.94 122.97 2kj9 h PHE 13 Ca -0.48 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 2kj9 h PHE 13 Cb 1.23 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 2kj9 h PHE 13 CO 0.56 0.18 0.08 0.87 -2.02 0.00 0.00 178.31 177.98 2kj9 h LYS 14 N 0.47 0.27 -0.22 1.11 1.57 -1.90 -1.03 116.57 116.84 2kj9 h LYS 14 Ca 0.46 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 59.01 2kj9 h LYS 14 Cb 1.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2kj9 h LYS 14 CO -0.19 0.33 -0.59 1.15 -0.57 0.00 0.00 179.45 179.58 2kj9 h THR 15 N 0.15 1.29 -0.36 -0.16 2.02 -1.21 -2.51 112.91 112.14 2kj9 h THR 15 Ca 0.06 -1.79 -0.12 0.00 0.77 0.00 0.00 66.41 65.33 2kj9 h THR 15 Cb 0.16 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2kj9 h THR 15 CO -0.01 0.57 -0.27 0.58 0.37 0.00 0.00 175.52 176.76 2kj9 h VAL 16 N 0.51 1.28 -0.17 3.16 2.07 -0.67 -1.93 116.25 120.49 2kj9 h VAL 16 Ca -0.01 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 2kj9 h VAL 16 Cb 1.20 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2kj9 h VAL 16 CO 0.13 0.46 -0.18 0.00 0.02 0.00 0.00 177.57 178.00 2kj9 h ALA 17 N 1.06 1.39 -0.09 1.67 0.00 -1.19 0.26 119.26 122.37 2kj9 h ALA 17 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kj9 h ALA 17 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kj9 h ALA 17 CO 0.06 0.42 0.01 0.87 0.00 0.00 0.00 179.25 180.61 2kj9 h LYS 18 N 0.26 0.04 -0.29 0.00 1.57 -0.91 0.24 116.57 117.49 2kj9 h LYS 18 Ca 0.05 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2kj9 h LYS 18 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kj9 h LYS 18 CO 0.03 0.03 -0.25 0.66 -0.57 0.00 0.00 179.45 179.35 2kj9 h SER 19 N 0.04 0.56 -0.70 0.86 4.64 -0.90 -2.15 113.55 115.90 2kj9 h SER 19 Ca 0.04 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2kj9 h SER 19 Cb 0.04 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2kj9 h SER 19 CO -0.06 0.80 0.41 -0.25 -0.87 0.00 0.00 176.83 176.86 2kj9 h TRP 20 N 0.49 0.94 -0.68 4.77 7.01 -0.15 0.24 115.95 128.58 2kj9 h TRP 20 Ca 0.07 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2kj9 h TRP 20 Cb 0.69 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 2kj9 h TRP 20 CO 0.03 0.65 0.37 0.35 -2.79 0.00 0.00 178.44 177.05 2kj9 h PHE 21 N 0.96 0.92 0.00 2.65 3.57 -0.20 0.14 116.94 124.98 2kj9 h PHE 21 Ca 0.25 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.55 2kj9 h PHE 21 Cb -0.00 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2kj9 h PHE 21 CO -0.01 0.64 -0.90 0.00 -2.23 0.00 0.00 178.31 175.81 2kj9 h ALA 22 N 1.46 0.49 -0.05 2.41 0.00 -0.74 -3.30 119.26 119.53 2kj9 h ALA 22 Ca 0.24 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2kj9 h ALA 22 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kj9 h ALA 22 CO -0.04 1.13 -0.23 1.15 0.00 0.00 0.00 179.25 181.26 2kj9 h THR 23 N 0.00 1.46 -3.44 0.00 2.02 -0.02 -3.43 112.91 109.50 2kj9 h THR 23 Ca -0.01 -1.70 -0.59 0.00 0.77 0.00 0.00 66.41 64.88 2kj9 h THR 23 Cb 1.61 2.43 -0.09 0.00 -1.74 0.00 0.00 68.15 70.37 2kj9 h THR 23 CO 0.12 0.47 0.60 -0.75 0.37 0.00 0.00 175.52 176.34 2kj9 s LYS 24 N -3.58 3.91 -0.61 6.66 2.20 0.44 -4.96 119.74 123.81 2kj9 s LYS 24 Ca -0.15 0.68 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 2kj9 s LYS 24 Cb 0.02 -3.77 0.17 0.00 -1.51 0.00 0.00 37.83 32.74 2kj9 s LYS 24 CO 0.75 -0.88 0.43 0.95 -0.36 0.00 0.00 175.35 176.24 2kj9 s THR 25 N 3.39 2.13 0.15 3.43 -4.23 -1.26 -4.84 115.64 114.42 2kj9 s THR 25 Ca 0.38 -3.72 0.00 0.00 -1.18 0.00 0.00 61.69 57.17 2kj9 s THR 25 Cb -0.12 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2kj9 s THR 25 CO 0.17 -1.05 0.00 0.41 -0.54 0.00 0.00 174.62 173.60 2kj9 n THR 26 N 2.33 0.59 -1.65 3.99 -1.04 -1.26 -5.09 114.28 112.14 2kj9 n THR 26 Ca 0.21 0.19 -0.30 0.00 -2.04 0.00 0.00 64.05 62.12 2kj9 n THR 26 Cb 0.38 -1.13 0.09 0.00 -1.82 0.00 0.00 70.33 67.85 2kj9 n THR 26 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2kj9 s TRP 27 N -2.00 2.91 0.68 -1.42 0.51 -1.26 -5.02 118.94 113.34 2kj9 s TRP 27 Ca 0.00 1.05 -0.17 0.00 -2.12 0.00 0.00 56.10 54.87 2kj9 s TRP 27 Cb 0.00 -3.18 0.01 0.00 -0.81 0.00 0.00 33.47 29.49 2kj9 s TRP 27 CO 0.00 -1.72 1.24 -1.12 -0.51 0.00 0.00 176.95 174.84 2kj9 s SER 28 N -4.08 4.45 0.27 2.95 0.01 -1.26 -4.76 113.70 111.28 2kj9 s SER 28 Ca 0.61 2.46 -0.02 0.00 1.31 0.00 0.00 55.95 60.30 2kj9 s SER 28 Cb -0.13 -2.60 0.41 0.00 0.21 0.00 0.00 66.02 63.90 2kj9 s SER 28 CO 0.53 -2.09 1.88 -0.33 0.41 0.00 0.00 173.24 173.64 2kj9 h GLU 29 N 0.15 1.15 0.00 12.44 5.08 -1.98 0.86 114.58 132.28 2kj9 h GLU 29 Ca -0.49 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.71 2kj9 h GLU 29 Cb 1.31 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2kj9 h GLU 29 CO 0.52 0.76 -0.41 -0.44 -1.00 0.00 0.00 179.01 178.43 2kj9 h ASP 30 N 1.19 0.00 0.40 1.42 3.32 -1.98 0.21 116.42 120.97 2kj9 h ASP 30 Ca 0.43 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.30 2kj9 h ASP 30 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2kj9 h ASP 30 CO -0.17 0.41 -0.76 0.22 -1.72 0.00 0.00 179.24 177.22 2kj9 h TYR 31 N 0.00 0.41 -0.42 4.55 3.20 -1.60 -0.62 116.97 122.49 2kj9 h TYR 31 Ca -0.00 -0.19 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 2kj9 h TYR 31 Cb 1.25 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2kj9 h TYR 31 CO 0.00 0.94 -0.21 1.96 -1.64 0.00 0.00 178.16 179.22 2kj9 h GLN 32 N 0.19 0.83 -0.21 1.82 1.08 -0.63 -1.65 115.11 116.55 2kj9 h GLN 32 Ca -0.03 -0.33 0.01 0.00 -1.45 0.00 0.00 58.65 56.84 2kj9 h GLN 32 Cb 1.34 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2kj9 h GLN 32 CO 0.12 0.96 0.13 -0.09 -0.95 0.00 0.00 178.83 179.01 2kj9 h ARG 33 N 0.73 0.26 -0.42 1.46 2.43 -0.28 0.27 114.38 118.82 2kj9 h ARG 33 Ca 0.10 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2kj9 h ARG 33 Cb 0.73 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2kj9 h ARG 33 CO 0.06 0.17 -0.07 0.66 -1.51 0.00 0.00 179.97 179.28 2kj9 h SER 34 N 0.27 0.78 -0.10 -3.80 4.64 -1.09 -0.57 113.55 113.68 2kj9 h SER 34 Ca 0.08 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2kj9 h SER 34 Cb -0.02 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 2kj9 h SER 34 CO -0.03 0.95 0.05 0.58 -0.87 0.00 0.00 176.83 177.51 2kj9 h VAL 35 N 0.61 1.00 -0.01 0.95 2.07 -1.12 0.74 116.25 120.49 2kj9 h VAL 35 Ca 0.11 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2kj9 h VAL 35 Cb 0.59 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2kj9 h VAL 35 CO 0.04 0.02 -0.12 -0.25 0.02 0.00 0.00 177.57 177.27 2kj9 h TRP 36 N 0.11 -0.31 -0.55 1.57 -0.00 -0.32 0.22 115.95 116.67 2kj9 h TRP 36 Ca 0.04 0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.89 2kj9 h TRP 36 Cb 0.01 0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 29.28 2kj9 h TRP 36 CO -0.09 -0.18 0.12 1.15 -0.00 0.00 0.00 178.44 179.44 2kj9 h THR 37 N -0.20 1.23 -0.40 2.65 2.02 -1.02 -1.98 112.91 115.21 2kj9 h THR 37 Ca 0.05 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 2kj9 h THR 37 Cb 0.26 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2kj9 h THR 37 CO -0.13 0.32 0.21 -0.09 0.37 0.00 0.00 175.52 176.20 2kj9 h ARG 38 N 0.82 0.56 -0.11 6.66 2.43 -0.31 -2.38 114.38 122.05 2kj9 h ARG 38 Ca 0.18 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2kj9 h ARG 38 Cb 0.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2kj9 h ARG 38 CO 0.00 0.47 0.05 -0.07 -1.51 0.00 0.00 179.97 178.91 2kj9 h LEU 39 N 0.51 0.14 -1.37 3.80 3.38 -0.61 -2.58 115.31 118.57 2kj9 h LEU 39 Ca 0.14 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2kj9 h LEU 39 Cb 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2kj9 h LEU 39 CO -0.02 0.20 0.47 -0.33 0.09 0.00 0.00 178.44 178.85 2kj9 h GLU 40 N 0.06 0.77 0.01 1.13 5.08 -1.24 0.27 114.58 120.66 2kj9 h GLU 40 Ca 0.04 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2kj9 h GLU 40 Cb 0.10 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2kj9 h GLU 40 CO -0.01 0.51 -0.55 1.15 -1.00 0.00 0.00 179.01 179.12 2kj9 h THR 41 N 0.79 1.45 0.00 1.13 2.02 -1.23 -3.37 112.91 113.71 2kj9 h THR 41 Ca 0.29 -2.08 -0.26 0.00 0.77 0.00 0.00 66.41 65.14 2kj9 h THR 41 Cb 0.17 2.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2kj9 h THR 41 CO -0.09 0.60 -1.95 -1.22 0.37 0.00 0.00 175.52 173.23 2kj9 n TYR 42 N -4.27 0.00 -0.08 3.16 4.01 -0.99 -4.70 117.16 114.30 2kj9 n TYR 42 Ca -0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.42 2kj9 n TYR 42 Cb 0.65 -0.63 -0.12 0.00 -0.31 0.00 0.00 39.34 38.92 2kj9 n TYR 42 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2kj9 n LEU 43 N -3.12 2.06 -0.10 7.72 7.94 -0.24 -4.48 117.00 126.76 2kj9 n LEU 43 Ca -0.30 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 54.90 2kj9 n LEU 43 Cb 0.80 -1.00 0.02 0.00 0.53 0.00 0.00 43.42 43.76 2kj9 n LEU 43 CO 0.14 0.43 0.94 -0.26 -1.11 0.00 0.00 177.39 177.53 2kj9 h PHE 44 N -0.73 0.23 -0.13 1.96 -1.00 -1.18 -3.20 116.94 112.89 2kj9 h PHE 44 Ca -0.38 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.46 2kj9 h PHE 44 Cb 1.50 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.00 2kj9 h PHE 44 CO 0.09 0.09 0.19 -1.00 -1.61 0.00 0.00 178.31 176.07 2kj9 h PRO 45 N 0.28 0.00 0.00 1.51 0.13 -1.79 0.63 132.00 132.76 2kj9 h PRO 45 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kj9 h PRO 45 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2kj9 h PRO 45 CO -0.16 0.00 -1.67 -0.25 -0.23 0.00 0.00 178.00 175.69 2kj9 n ASP 46 N -3.55 0.49 0.00 1.44 8.00 -1.21 -4.62 116.55 117.10 2kj9 n ASP 46 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2kj9 n ASP 46 Cb 0.29 1.68 0.00 0.00 -0.02 0.00 0.00 41.12 43.08 2kj9 n ASP 46 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kj9 n ILE 47 N -2.01 0.00 0.43 0.53 -5.35 -0.74 -4.77 119.36 107.45 2kj9 n ILE 47 Ca -0.02 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 2kj9 n ILE 47 Cb 0.47 -0.30 0.34 0.00 -1.74 0.00 0.00 39.64 38.41 2kj9 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kj9 n GLY 48 N 2.37 -1.02 1.03 3.28 0.00 0.21 -1.54 105.19 109.53 2kj9 n GLY 48 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2kj9 n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kj9 n ASN 49 N -1.69 3.13 -4.85 1.61 4.13 -1.26 -3.94 115.26 112.38 2kj9 n ASN 49 Ca 0.03 -1.97 -0.21 0.00 1.68 0.00 0.00 54.58 54.11 2kj9 n ASN 49 Cb 0.17 -0.14 -0.04 0.00 -1.54 0.00 0.00 39.78 38.23 2kj9 n ASN 49 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2kj9 s LYS 50 N -1.73 2.54 0.00 3.52 -0.14 -0.59 -4.93 119.74 118.41 2kj9 s LYS 50 Ca 0.34 -1.51 0.16 0.00 -1.36 0.00 0.00 55.97 53.61 2kj9 s LYS 50 Cb 0.21 -2.35 0.92 0.00 -1.68 0.00 0.00 37.83 34.94 2kj9 s LYS 50 CO 0.31 -0.10 1.41 -0.25 -0.76 0.00 0.00 175.35 175.96 2kj9 n ASP 51 N -1.46 0.00 0.00 2.83 9.92 -1.26 -4.42 116.55 122.17 2kj9 n ASP 51 Ca 0.02 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2kj9 n ASP 51 Cb 0.61 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2kj9 n ASP 51 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kj9 n ILE 52 N -1.10 0.00 0.21 0.53 2.08 -1.26 -4.60 119.36 115.22 2kj9 n ILE 52 Ca 0.11 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.50 2kj9 n ILE 52 Cb 0.08 0.00 0.40 0.00 -0.75 0.00 0.00 39.64 39.37 2kj9 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kj9 h ALA 53 N 0.00 1.01 -0.53 -1.39 0.00 -1.89 -2.51 119.26 113.95 2kj9 h ALA 53 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kj9 h ALA 53 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kj9 h ALA 53 CO 0.00 0.36 0.00 0.39 0.00 0.00 0.00 179.25 180.00 2kj9 n GLU 54 N -3.45 4.04 -2.93 0.00 1.02 -1.26 -4.80 120.64 113.25 2kj9 n GLU 54 Ca -0.00 -2.67 -0.43 0.00 -0.02 0.00 0.00 57.16 54.03 2kj9 n GLU 54 Cb 0.46 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 2kj9 n GLU 54 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kj9 s LEU 55 N -2.13 4.67 1.05 -4.62 1.43 -0.95 -4.98 118.68 113.16 2kj9 s LEU 55 Ca 0.47 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 2kj9 s LEU 55 Cb 0.34 -2.39 0.23 0.00 0.03 0.00 0.00 46.19 44.40 2kj9 s LEU 55 CO 0.17 -1.34 1.25 -0.62 0.23 0.00 0.00 176.35 176.04 2kj9 s ASP 56 N 3.64 2.28 0.19 2.29 -1.08 -1.26 -4.82 116.67 117.91 2kj9 s ASP 56 Ca 0.19 0.39 -0.12 0.00 -0.52 0.00 0.00 52.55 52.49 2kj9 s ASP 56 Cb -0.19 -0.50 0.16 0.00 -1.46 0.00 0.00 42.92 40.93 2kj9 s ASP 56 CO 0.09 -3.26 1.79 0.74 0.52 0.00 0.00 175.17 175.05 2kj9 h THR 57 N -2.00 0.96 -0.63 1.71 2.02 -1.96 -2.22 112.91 110.79 2kj9 h THR 57 Ca -0.44 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 2kj9 h THR 57 Cb 1.25 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2kj9 h THR 57 CO 0.36 0.10 0.06 1.23 0.37 0.00 0.00 175.52 177.64 2kj9 h GLY 58 N 0.55 1.14 1.64 2.16 0.00 -1.92 -0.82 103.07 105.83 2kj9 h GLY 58 Ca 0.24 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2kj9 h GLY 58 CO -0.16 0.73 0.21 -0.55 0.00 0.00 0.00 176.54 176.77 2kj9 h ASP 59 N 0.99 0.42 0.80 0.19 5.19 -1.75 0.26 116.42 122.50 2kj9 h ASP 59 Ca 0.19 -0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.37 2kj9 h ASP 59 Cb 0.48 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 2kj9 h ASP 59 CO 0.02 0.32 -1.31 -0.07 -3.12 0.00 0.00 179.24 175.09 2kj9 h LEU 60 N 0.49 0.00 -1.48 1.55 3.38 -1.27 -3.27 115.31 114.70 2kj9 h LEU 60 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2kj9 h LEU 60 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kj9 h LEU 60 CO -0.02 0.80 -0.26 -0.07 0.09 0.00 0.00 178.44 178.97 2kj9 h LEU 61 N 0.00 0.00 0.63 1.67 3.38 0.01 -2.87 115.31 118.12 2kj9 h LEU 61 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kj9 h LEU 61 Cb 1.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2kj9 h LEU 61 CO 0.08 0.26 -0.43 0.58 0.09 0.00 0.00 178.44 179.02 2kj9 h VAL 62 N 0.00 0.14 -0.30 1.22 2.07 -1.05 0.62 116.25 118.95 2kj9 h VAL 62 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2kj9 h VAL 62 Cb 0.52 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2kj9 h VAL 62 CO 0.03 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.15 2kj9 h PRO 63 N -1.01 0.46 -0.03 1.57 0.13 -1.73 0.51 132.00 131.90 2kj9 h PRO 63 Ca -0.08 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2kj9 h PRO 63 Cb 0.83 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2kj9 h PRO 63 CO 0.05 0.51 0.00 0.82 -0.23 0.00 0.00 178.00 179.16 2kj9 h ILE 64 N 0.44 1.21 -0.26 -3.56 2.04 -1.30 -2.56 117.51 113.53 2kj9 h ILE 64 Ca 0.10 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2kj9 h ILE 64 Cb 0.33 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2kj9 h ILE 64 CO 0.01 0.17 -0.01 0.50 0.00 0.00 0.00 178.15 178.82 2kj9 h LYS 65 N -0.21 0.39 -0.49 2.37 3.64 0.45 -0.88 116.57 121.83 2kj9 h LYS 65 Ca 0.01 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2kj9 h LYS 65 Cb 0.27 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2kj9 h LYS 65 CO 0.00 0.43 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.37 2kj9 h LYS 66 N 0.38 0.09 -0.13 1.90 3.64 0.23 0.74 116.57 123.41 2kj9 h LYS 66 Ca 0.08 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 2kj9 h LYS 66 Cb 0.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2kj9 h LYS 66 CO 0.01 0.06 -0.75 0.82 -2.27 0.00 0.00 179.45 177.32 2kj9 h ILE 67 N 0.10 1.32 -0.28 2.00 2.04 -1.01 -1.01 117.51 120.66 2kj9 h ILE 67 Ca 0.25 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 64.11 2kj9 h ILE 67 Cb 0.37 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2kj9 h ILE 67 CO -0.43 0.63 0.12 -0.08 0.00 0.00 0.00 178.15 178.39 2kj9 h GLU 68 N 0.44 0.25 0.00 2.37 4.81 -0.48 -1.51 114.58 120.46 2kj9 h GLU 68 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kj9 h GLU 68 Cb 1.35 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2kj9 h GLU 68 CO 0.14 0.16 0.00 -0.22 -0.73 0.00 0.00 179.01 178.37 2kj9 h LYS 69 N 0.26 0.00 0.00 1.92 3.64 0.47 -2.73 116.57 120.13 2kj9 h LYS 69 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2kj9 h LYS 69 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2kj9 h LYS 69 CO -0.10 0.00 0.00 1.25 -2.27 0.00 0.00 179.45 178.33 2kj9 h LEU 70 N 0.00 0.00 0.00 5.20 5.85 -0.13 -3.46 115.31 122.77 2kj9 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kj9 h LEU 70 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kj9 h LEU 70 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2kj9 n GLY 71 N 0.58 1.17 3.25 3.75 0.00 -1.03 -5.02 105.19 107.89 2kj9 n GLY 71 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2kj9 n GLY 71 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kj9 n TYR 72 N -1.14 4.41 -0.24 1.61 4.01 -1.02 -4.80 117.16 120.00 2kj9 n TYR 72 Ca 0.00 -3.47 -0.07 0.00 -0.16 0.00 0.00 57.90 54.20 2kj9 n TYR 72 Cb 0.00 -1.67 0.04 0.00 -0.31 0.00 0.00 39.34 37.40 2kj9 n TYR 72 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2kj9 h LEU 73 N 6.78 0.91 -0.68 7.72 3.38 -1.80 0.22 115.31 131.84 2kj9 h LEU 73 Ca 0.21 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2kj9 h LEU 73 Cb 0.80 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2kj9 h LEU 73 CO 1.15 0.83 0.24 -0.08 0.09 0.00 0.00 178.44 180.68 2kj9 h GLU 74 N 0.93 1.04 -0.25 1.13 4.22 -1.96 -1.05 114.58 118.64 2kj9 h GLU 74 Ca 0.22 -0.21 -0.18 0.00 0.08 0.00 0.00 59.36 59.27 2kj9 h GLU 74 Cb 0.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kj9 h GLU 74 CO -0.02 0.88 -0.55 0.82 -2.18 0.00 0.00 179.01 177.97 2kj9 h ILE 75 N 0.98 1.29 -0.61 2.32 2.04 -1.90 -2.28 117.51 119.34 2kj9 h ILE 75 Ca 0.22 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2kj9 h ILE 75 Cb 0.26 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2kj9 h ILE 75 CO -0.01 0.56 0.34 0.00 0.00 0.00 0.00 178.15 179.04 2kj9 h ALA 76 N 0.80 0.81 -0.58 1.87 0.00 -0.18 0.33 119.26 122.31 2kj9 h ALA 76 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kj9 h ALA 76 Cb 1.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kj9 h ALA 76 CO 0.11 0.02 0.32 0.52 0.00 0.00 0.00 179.25 180.22 2kj9 h MET 77 N 0.64 0.81 0.07 0.00 2.86 -1.12 -0.64 114.93 117.56 2kj9 h MET 77 Ca 0.27 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2kj9 h MET 77 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2kj9 h MET 77 CO -0.17 0.62 -0.03 0.00 1.06 0.00 0.00 176.91 178.39 2kj9 h ARG 78 N 0.79 -0.09 -0.82 1.72 3.08 -0.70 -1.46 114.38 116.89 2kj9 h ARG 78 Ca 0.20 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 2kj9 h ARG 78 Cb 0.05 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2kj9 h ARG 78 CO -0.03 0.06 0.41 0.28 -1.07 0.00 0.00 179.97 179.62 2kj9 h VAL 79 N -0.23 1.25 -0.80 2.04 2.07 -0.31 0.11 116.25 120.38 2kj9 h VAL 79 Ca -0.01 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2kj9 h VAL 79 Cb 0.20 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2kj9 h VAL 79 CO 0.02 0.30 0.47 0.50 0.02 0.00 0.00 177.57 178.87 2kj9 h LYS 80 N 1.17 1.09 -0.13 1.57 3.64 -0.99 0.31 116.57 123.22 2kj9 h LYS 80 Ca 0.28 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2kj9 h LYS 80 Cb 0.10 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2kj9 h LYS 80 CO -0.04 0.77 -0.08 1.96 -2.27 0.00 0.00 179.45 179.80 2kj9 h GLN 81 N 1.10 0.29 -0.51 1.90 1.08 -0.14 0.17 115.11 119.00 2kj9 h GLN 81 Ca 0.29 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 2kj9 h GLN 81 Cb -0.02 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 2kj9 h GLN 81 CO -0.05 0.64 0.24 1.88 -0.95 0.00 0.00 178.83 180.59 2kj9 h TYR 82 N -0.06 0.43 -0.52 2.96 0.05 -0.56 -1.61 116.97 117.65 2kj9 h TYR 82 Ca 0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kj9 h TYR 82 Cb 0.56 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2kj9 h TYR 82 CO 0.07 0.19 0.30 0.00 -1.05 0.00 0.00 178.16 177.67 2kj9 h ALA 83 N 1.30 0.67 -0.72 3.88 0.00 -0.28 -2.38 119.26 121.74 2kj9 h ALA 83 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kj9 h ALA 83 Cb 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kj9 h ALA 83 CO -0.19 0.18 0.47 1.15 0.00 0.00 0.00 179.25 180.86 2kj9 h THR 84 N 0.70 1.14 -0.62 0.00 2.02 -0.13 0.49 112.91 116.52 2kj9 h THR 84 Ca 0.19 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2kj9 h THR 84 Cb 0.02 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2kj9 h THR 84 CO -0.03 0.17 0.16 0.00 0.37 0.00 0.00 175.52 176.18 2kj9 h ALA 85 N 1.57 1.11 -0.09 6.16 0.00 -0.93 -1.91 119.26 125.16 2kj9 h ALA 85 Ca 0.28 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2kj9 h ALA 85 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kj9 h ALA 85 CO -0.07 0.60 -0.62 0.82 0.00 0.00 0.00 179.25 179.98 2kj9 h ILE 86 N 0.92 1.38 -0.18 0.00 2.04 -0.55 -2.57 117.51 118.55 2kj9 h ILE 86 Ca 0.20 -1.98 0.01 0.00 1.00 0.00 0.00 64.86 64.09 2kj9 h ILE 86 Cb 0.32 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2kj9 h ILE 86 CO -0.00 0.59 0.08 0.24 0.00 0.00 0.00 178.15 179.06 2kj9 h MET 87 N 0.23 0.17 -0.42 2.37 2.86 0.47 0.36 114.93 120.98 2kj9 h MET 87 Ca -0.01 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2kj9 h MET 87 Cb 1.14 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2kj9 h MET 87 CO 0.10 0.11 -0.04 -0.09 1.06 0.00 0.00 176.91 178.05 2kj9 h ARG 88 N 0.18 0.70 -0.83 1.72 2.43 -1.36 -0.65 114.38 116.57 2kj9 h ARG 88 Ca 0.07 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2kj9 h ARG 88 Cb 0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2kj9 h ARG 88 CO -0.06 0.75 0.50 -0.92 -1.51 0.00 0.00 179.97 178.73 2kj9 h TYR 89 N 0.65 1.09 -0.57 2.20 3.20 -0.98 -1.68 116.97 120.88 2kj9 h TYR 89 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2kj9 h TYR 89 Cb 0.47 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2kj9 h TYR 89 CO 0.02 0.73 0.25 0.00 -1.64 0.00 0.00 178.16 177.52 2kj9 h ALA 90 N 1.27 0.74 -0.62 1.82 0.00 0.57 -0.39 119.26 122.64 2kj9 h ALA 90 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kj9 h ALA 90 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2kj9 h ALA 90 CO -0.06 0.33 0.40 0.28 0.00 0.00 0.00 179.25 180.21 2kj9 h VAL 91 N 0.78 1.17 0.00 0.00 2.07 -0.77 0.16 116.25 119.64 2kj9 h VAL 91 Ca 0.19 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2kj9 h VAL 91 Cb 0.17 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2kj9 h VAL 91 CO -0.02 0.16 0.00 1.56 0.02 0.00 0.00 177.57 179.29 2kj9 h GLN 92 N 0.84 0.00 -0.31 1.57 1.08 -1.06 -2.77 115.11 114.47 2kj9 h GLN 92 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2kj9 h GLN 92 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2kj9 h GLN 92 CO -0.05 0.00 0.00 0.94 -0.95 0.00 0.00 178.83 178.77 2kj9 n GLN 93 N -2.75 2.21 -3.13 1.46 -0.06 -0.18 -4.93 117.38 110.01 2kj9 n GLN 93 Ca 0.02 -1.83 -0.17 0.00 -2.00 0.00 0.00 57.00 53.02 2kj9 n GLN 93 Cb 0.35 -1.46 0.05 0.00 -4.06 0.00 0.00 30.24 25.11 2kj9 n GLN 93 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2kj9 n LYS 94 N 1.05 -5.07 -0.10 3.69 4.76 -0.86 -4.95 118.16 116.68 2kj9 n LYS 94 Ca 0.18 0.64 -0.15 0.00 -2.87 0.00 0.00 58.31 56.11 2kj9 n LYS 94 Cb 0.50 -5.02 -0.05 0.00 -1.84 0.00 0.00 35.03 28.62 2kj9 n LYS 94 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kj9 n MET 95 N -3.59 0.54 -4.37 1.97 2.81 0.45 -5.01 117.12 109.91 2kj9 n MET 95 Ca -0.03 0.30 -0.28 0.00 -1.81 0.00 0.00 57.70 55.88 2kj9 n MET 95 Cb 0.56 -1.51 -0.13 0.00 -0.71 0.00 0.00 33.22 31.43 2kj9 n MET 95 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2kj9 s ILE 96 N -2.67 2.11 0.05 2.02 -4.36 -1.21 -4.47 121.20 112.68 2kj9 s ILE 96 Ca -0.29 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 58.33 2kj9 s ILE 96 Cb 0.07 -1.88 -0.30 0.00 1.25 0.00 0.00 42.46 41.60 2kj9 s ILE 96 CO 0.42 0.05 1.06 0.03 0.24 0.00 0.00 174.94 176.75 2kj9 h ARG 97 N 3.95 0.33 -4.71 0.37 3.08 -1.92 -3.34 114.38 112.14 2kj9 h ARG 97 Ca -0.50 -0.57 -0.32 0.00 0.07 0.00 0.00 59.98 58.67 2kj9 h ARG 97 Cb 1.17 0.21 -0.14 0.00 0.08 0.00 0.00 29.97 31.29 2kj9 h ARG 97 CO 0.39 1.26 -0.58 -0.06 -1.07 0.00 0.00 179.97 179.91 2kj9 s PHE 98 N -2.64 1.37 -0.39 3.04 0.08 -1.26 -4.99 117.98 113.19 2kj9 s PHE 98 Ca -0.06 -1.43 -0.16 0.00 0.12 0.00 0.00 56.93 55.40 2kj9 s PHE 98 Cb 0.06 -0.65 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 2kj9 s PHE 98 CO 0.89 -0.66 0.37 1.21 -0.10 0.00 0.00 175.22 176.94 2kj9 s ASN 99 N -3.24 6.16 0.00 1.36 3.84 -1.26 -4.94 114.94 116.86 2kj9 s ASN 99 Ca 0.39 -0.60 0.29 0.00 0.21 0.00 0.00 52.86 53.14 2kj9 s ASN 99 Cb 0.06 -2.19 1.41 0.00 -0.55 0.00 0.00 41.25 39.97 2kj9 s ASN 99 CO 0.16 -0.46 1.98 -2.65 -2.79 0.00 0.00 177.10 173.34 2kj9 n PRO 100 N 5.39 0.34 0.00 0.43 -0.02 -1.26 -3.63 135.00 136.25 2kj9 n PRO 100 Ca -0.09 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2kj9 n PRO 100 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2kj9 n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kj9 n ALA 101 N -1.32 2.44 1.36 3.55 0.00 -1.26 -2.71 120.51 122.57 2kj9 n ALA 101 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2kj9 n ALA 101 Cb 0.25 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 19.11 2kj9 n ALA 101 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kj9 n TYR 102 N -0.01 0.01 -3.49 0.00 4.01 -1.24 -4.96 117.16 111.48 2kj9 n TYR 102 Ca 0.00 -0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 2kj9 n TYR 102 Cb 0.23 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.34 2kj9 n TYR 102 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kj9 n ASP 103 N 0.49 -4.20 -1.80 7.72 8.00 -1.10 -4.90 116.55 120.76 2kj9 n ASP 103 Ca 0.18 -0.57 0.01 0.00 0.71 0.00 0.00 54.79 55.12 2kj9 n ASP 103 Cb 0.42 -5.01 0.33 0.00 -0.02 0.00 0.00 41.12 36.84 2kj9 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kj9 n LEU 104 N -4.51 5.41 -4.57 0.64 -0.00 -1.26 -4.90 117.00 107.81 2kj9 n LEU 104 Ca -0.14 -2.77 -0.40 0.00 -0.00 0.00 0.00 56.01 52.70 2kj9 n LEU 104 Cb 0.61 -0.69 -0.03 0.00 -0.00 0.00 0.00 43.42 43.31 2kj9 n LEU 104 CO 0.62 0.65 1.57 -0.70 -0.00 0.00 0.00 177.39 179.54 2kj9 s GLU 105 N -2.63 2.85 0.00 1.47 2.12 -1.26 -1.66 118.70 119.59 2kj9 s GLU 105 Ca 0.49 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.66 2kj9 s GLU 105 Cb 0.38 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.45 2kj9 s GLU 105 CO 0.13 -2.45 0.00 0.41 -0.54 0.00 0.00 175.26 172.81 2kj9 n GLY 106 N 5.60 0.60 0.16 -1.50 0.00 -1.26 -4.99 105.19 103.80 2kj9 n GLY 106 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2kj9 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kj9 h ALA 107 N 0.00 0.68 -2.03 4.61 0.00 -1.71 -3.39 119.26 117.41 2kj9 h ALA 107 Ca 0.00 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 53.64 2kj9 h ALA 107 Cb 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 17.55 2kj9 h ALA 107 CO 0.00 0.78 0.17 0.08 0.00 0.00 0.00 179.25 180.28 2kj9 s VAL 108 N -3.60 4.76 -0.89 0.00 1.01 -1.26 -5.00 120.40 115.41 2kj9 s VAL 108 Ca -0.04 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2kj9 s VAL 108 Cb 0.11 -4.35 0.08 0.00 0.00 0.00 0.00 36.38 32.22 2kj9 s VAL 108 CO 0.82 -0.87 1.23 -1.10 0.00 0.00 0.00 175.10 175.18 2kj9 s GLN 109 N 2.94 3.47 -0.21 2.72 -0.21 -1.26 -4.97 119.66 122.14 2kj9 s GLN 109 Ca 0.19 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.08 2kj9 s GLN 109 Cb -0.17 -4.87 -0.04 0.00 1.00 0.00 0.00 33.01 28.92 2kj9 s GLN 109 CO 0.14 -1.98 1.96 0.21 -2.12 0.00 0.00 175.29 173.50 2kj9 s LYS 110 N 4.09 3.47 -0.19 2.91 2.20 -1.26 -4.90 119.74 126.06 2kj9 s LYS 110 Ca 0.36 1.90 -0.29 0.00 -0.36 0.00 0.00 55.97 57.58 2kj9 s LYS 110 Cb -0.06 -4.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 2kj9 s LYS 110 CO -0.03 -1.71 1.78 -0.51 -0.36 0.00 0.00 175.35 174.52 2kj9 s LEU 111 N 6.76 3.88 -0.06 5.43 1.43 -1.26 -4.89 118.68 129.97 2kj9 s LEU 111 Ca 0.88 1.81 -0.06 0.00 -1.03 0.00 0.00 54.13 55.72 2kj9 s LEU 111 Cb -0.30 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2kj9 s LEU 111 CO 0.35 -1.37 0.29 -0.08 0.23 0.00 0.00 176.35 175.77 2kj9 h GLU 112 N 11.54 -0.22 -6.14 1.70 4.22 -2.04 -3.43 114.58 120.21 2kj9 h GLU 112 Ca -0.37 0.01 -0.57 0.00 0.08 0.00 0.00 59.36 58.51 2kj9 h GLU 112 Cb 1.18 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2kj9 h GLU 112 CO 0.99 -0.14 0.88 -1.01 -2.18 0.00 0.00 179.01 177.54 2kj9 s HIS 113 N -2.25 2.99 -0.24 0.92 3.76 -1.26 -5.01 115.29 114.20 2kj9 s HIS 113 Ca -0.03 1.14 -0.10 0.00 -0.15 0.00 0.00 55.06 55.92 2kj9 s HIS 113 Cb 0.00 -3.47 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 2kj9 s HIS 113 CO 0.10 -1.31 0.15 -1.01 -0.85 0.00 0.00 174.74 171.81 2kj9 s HIS 114 N 3.47 3.28 -0.07 1.40 3.76 -1.26 -5.06 115.29 120.80 2kj9 s HIS 114 Ca 0.51 0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 55.57 2kj9 s HIS 114 Cb -0.19 -2.27 0.02 0.00 1.11 0.00 0.00 32.58 31.25 2kj9 s HIS 114 CO 0.13 0.00 -0.04 -1.01 -0.85 0.00 0.00 174.74 172.96 2kj9 s HIS 115 N 1.16 0.98 0.32 1.40 3.76 -1.26 -5.01 115.29 116.65 2kj9 s HIS 115 Ca 0.07 -0.37 0.13 0.00 -0.15 0.00 0.00 55.06 54.74 2kj9 s HIS 115 Cb -0.14 -0.91 0.59 0.00 1.11 0.00 0.00 32.58 33.24 2kj9 s HIS 115 CO 0.05 -0.34 1.74 1.25 -0.85 0.00 0.00 174.74 176.60 2kj9 h HIS 116 N 7.86 0.00 -3.52 1.40 2.76 -2.07 -3.40 115.15 118.19 2kj9 h HIS 116 Ca -0.28 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.28 2kj9 h HIS 116 Cb 1.14 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.98 2kj9 h HIS 116 CO 0.48 0.46 -0.25 -1.58 -1.30 0.00 0.00 177.93 175.74 2kj9 s HIS 117 N -3.93 3.35 -1.74 5.26 5.65 -1.26 -5.37 115.29 117.25 2kj9 s HIS 117 Ca -0.02 0.53 0.14 0.00 0.25 0.00 0.00 55.06 55.96 2kj9 s HIS 117 Cb 0.13 -2.49 0.11 0.00 -1.18 0.00 0.00 32.58 29.16 2kj9 s HIS 117 CO 0.73 -0.02 0.94 1.58 -0.65 0.00 0.00 174.74 177.32