#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqi n THR 15 N 0.00 4.03 -0.06 0.00 -2.24 -1.26 -4.70 114.28 110.05 2jqi n THR 15 Ca 0.00 -3.46 -0.11 0.00 -2.27 0.00 0.00 64.05 58.21 2jqi n THR 15 Cb 0.00 -2.49 -0.05 0.00 -2.10 0.00 0.00 70.33 65.69 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jqi h GLN 16 N 5.61 0.34 -0.59 -0.78 4.20 -2.06 -2.04 115.11 119.78 2jqi h GLN 16 Ca 0.59 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 59.17 2jqi h GLN 16 Cb 0.54 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2jqi h GLN 16 CO 1.76 0.50 0.24 0.00 -0.67 0.00 0.00 178.83 180.65 2jqi h ARG 17 N 0.13 0.86 -0.49 1.46 -0.00 -2.01 -2.41 114.38 111.92 2jqi h ARG 17 Ca 0.06 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.98 59.33 2jqi h ARG 17 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 2jqi h ARG 17 CO 0.01 0.70 -0.02 0.35 0.00 0.00 0.00 179.97 181.00 2jqi h PHE 18 N 0.85 0.89 -0.61 3.04 3.04 -1.90 -2.35 116.94 119.89 2jqi h PHE 18 Ca 0.20 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2jqi h PHE 18 Cb 0.17 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 2jqi h PHE 18 CO 0.01 0.83 0.39 -0.07 -2.02 0.00 0.00 178.31 177.44 2jqi h LEU 19 N 0.76 0.72 -0.92 0.59 3.38 -0.87 -2.39 115.31 116.59 2jqi h LEU 19 Ca 0.14 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2jqi h LEU 19 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2jqi h LEU 19 CO 0.02 0.55 -0.22 0.40 0.09 0.00 0.00 178.44 179.29 2jqi h ILE 20 N 0.83 1.26 -0.92 1.22 1.08 -1.32 -2.86 117.51 116.80 2jqi h ILE 20 Ca 0.22 -1.23 0.06 0.00 -0.39 0.00 0.00 64.86 63.53 2jqi h ILE 20 Cb -0.05 1.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 2jqi h ILE 20 CO -0.04 0.40 0.58 -0.08 -0.69 0.00 0.00 178.15 178.32 2jqi h GLU 21 N 0.48 1.03 0.00 2.37 4.81 -0.91 0.11 114.58 122.47 2jqi h GLU 21 Ca 0.07 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2jqi h GLU 21 Cb 0.64 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jqi h GLU 21 CO 0.05 0.68 -0.14 0.87 -0.73 0.00 0.00 179.01 179.74 2jqi h LYS 22 N 1.06 0.00 -0.38 1.92 6.56 -1.27 -3.00 116.57 121.46 2jqi h LYS 22 Ca 0.40 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 60.04 2jqi h LYS 22 Cb 0.17 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 2jqi h LYS 22 CO -0.17 0.14 0.14 0.35 -2.06 0.00 0.00 179.45 177.84 2jqi h PHE 23 N 0.00 0.24 -0.78 -1.35 3.57 -0.68 -2.27 116.94 115.66 2jqi h PHE 23 Ca -0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2jqi h PHE 23 Cb 0.47 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2jqi h PHE 23 CO 0.00 0.10 0.51 0.77 -2.23 0.00 0.00 178.31 177.46 2jqi h SER 24 N 0.29 0.87 -0.75 0.41 0.02 -1.53 -3.18 113.55 109.69 2jqi h SER 24 Ca 0.18 -0.02 -0.73 0.00 -0.84 0.00 0.00 61.79 60.38 2jqi h SER 24 Cb 0.15 -0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.39 2jqi h SER 24 CO -0.18 0.62 2.66 1.67 -1.14 0.00 0.00 176.83 180.47 2jqi n GLN 25 N -4.56 3.56 -2.16 3.45 7.27 -0.85 -4.96 117.38 119.12 2jqi n GLN 25 Ca 0.08 -3.07 -0.42 0.00 0.07 0.00 0.00 57.00 53.66 2jqi n GLN 25 Cb 0.04 -2.97 -0.03 0.00 2.41 0.00 0.00 30.24 29.69 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2jqi s GLU 26 N 1.21 4.21 -0.40 3.69 -1.05 -1.21 -4.95 118.70 120.21 2jqi s GLU 26 Ca 0.48 2.00 -0.08 0.00 -0.15 0.00 0.00 54.97 57.22 2jqi s GLU 26 Cb 0.13 -3.84 0.07 0.00 -0.44 0.00 0.00 34.13 30.05 2jqi s GLU 26 CO -0.05 -0.76 0.21 -1.14 0.95 0.00 0.00 175.26 174.48 2jqi s GLN 27 N 3.58 2.57 0.17 -4.83 2.00 -1.26 -5.08 119.66 116.81 2jqi s GLN 27 Ca 0.66 -1.40 -0.28 0.00 -2.00 0.00 0.00 55.36 52.34 2jqi s GLN 27 Cb -0.30 -3.68 -0.08 0.00 0.80 0.00 0.00 33.01 29.75 2jqi s GLN 27 CO 0.25 -0.88 0.87 0.42 -0.50 0.00 0.00 175.29 175.45 2jqi s ILE 28 N 1.40 4.33 -0.35 -2.34 -1.09 -1.26 -4.99 121.20 116.91 2jqi s ILE 28 Ca 0.02 1.90 -0.06 0.00 -2.23 0.00 0.00 60.65 60.29 2jqi s ILE 28 Cb -0.22 -4.24 0.22 0.00 -1.58 0.00 0.00 42.46 36.64 2jqi s ILE 28 CO 0.02 0.46 1.10 0.61 -1.23 0.00 0.00 174.94 175.90 2jqi n GLY 29 N 1.78 -1.67 0.18 6.18 0.00 -1.26 -4.98 105.19 105.41 2jqi n GLY 29 Ca -0.02 1.25 -0.11 0.00 0.00 0.00 0.00 46.02 47.13 2jqi n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqi h GLU 30 N 4.13 0.45 0.00 1.61 4.81 -2.01 -3.42 114.58 120.15 2jqi h GLU 30 Ca -0.02 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jqi h GLU 30 Cb 1.17 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2jqi h GLU 30 CO -0.11 1.02 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 2jqi n ASN 31 N -3.84 0.00 -4.72 1.04 3.02 -1.26 -5.02 115.26 104.47 2jqi n ASN 31 Ca -0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 2jqi n ASN 31 Cb 0.73 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.86 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jqi s ILE 32 N 0.00 4.56 -0.11 2.41 -1.09 -1.26 -0.55 121.20 125.16 2jqi s ILE 32 Ca 0.00 2.05 -0.08 0.00 -2.23 0.00 0.00 60.65 60.38 2jqi s ILE 32 Cb 0.00 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 2jqi s ILE 32 CO 0.00 0.27 -0.16 0.52 -1.23 0.00 0.00 174.94 174.34 2jqi n VAL 33 N 3.06 1.07 -4.11 2.92 0.31 0.15 -4.26 118.33 117.46 2jqi n VAL 33 Ca 0.03 0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.54 2jqi n VAL 33 Cb 0.49 -2.16 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 2jqi n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jqi s ARG 35 N -4.03 1.77 -0.21 0.00 3.00 0.50 0.14 118.95 120.11 2jqi s ARG 35 Ca 0.22 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.73 54.19 2jqi s ARG 35 Cb 0.07 -1.63 -0.02 0.00 0.00 0.00 0.00 34.95 33.36 2jqi s ARG 35 CO 0.01 0.37 0.00 0.14 0.00 0.00 0.00 175.30 175.83 2jqi s VAL 36 N -0.30 3.89 -0.13 7.11 -7.23 -0.30 0.13 120.40 123.58 2jqi s VAL 36 Ca 0.03 -0.32 -0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2jqi s VAL 36 Cb -0.09 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.09 2jqi s VAL 36 CO 0.00 0.41 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.46 2jqi s ILE 37 N 1.24 1.31 -0.65 -0.62 1.01 0.23 -1.62 121.20 122.10 2jqi s ILE 37 Ca 0.03 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 2jqi s ILE 37 Cb -0.15 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.10 2jqi s ILE 37 CO 0.01 0.41 1.10 0.00 0.00 0.00 0.00 174.94 176.46 2jqi h THR 39 N 6.03 0.89 0.00 0.00 1.03 -1.92 -3.11 112.91 115.83 2jqi h THR 39 Ca -0.27 -2.01 0.00 0.00 -0.01 0.00 0.00 66.41 64.11 2jqi h THR 39 Cb 1.06 2.27 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 2jqi h THR 39 CO 1.19 0.46 0.00 0.35 -0.01 0.00 0.00 175.52 177.52 2jqi n THR 40 N -3.33 0.00 -2.41 0.00 -2.24 -1.25 -4.96 114.28 100.10 2jqi n THR 40 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2jqi n THR 40 Cb 0.66 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.40 2jqi n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqi n GLY 41 N 1.12 -1.11 0.00 3.38 0.00 -1.17 -5.01 105.19 102.39 2jqi n GLY 41 Ca 0.20 0.82 0.00 0.00 0.00 0.00 0.00 46.02 47.03 2jqi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqi n GLN 42 N -0.37 0.00 -4.47 1.61 6.02 -1.26 -5.12 117.38 113.79 2jqi n GLN 42 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 2jqi n GLN 42 Cb 0.31 -0.33 -0.14 0.00 1.02 0.00 0.00 30.24 31.11 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jqi s ILE 43 N -1.00 1.18 0.35 5.09 1.09 -1.26 -5.06 121.20 121.60 2jqi s ILE 43 Ca 0.00 -0.92 -0.27 0.00 -1.10 0.00 0.00 60.65 58.36 2jqi s ILE 43 Cb 0.00 -1.04 -0.09 0.00 -1.06 0.00 0.00 42.46 40.26 2jqi s ILE 43 CO 0.00 0.11 1.23 -2.16 -0.10 0.00 0.00 174.94 174.03 2jqi s PRO 44 N -0.93 4.25 0.36 2.79 0.04 -1.26 -4.23 135.00 136.02 2jqi s PRO 44 Ca 0.03 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2jqi s PRO 44 Cb -0.07 -2.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.42 2jqi s PRO 44 CO 0.01 -0.21 1.32 -0.89 0.04 0.00 0.00 177.00 177.27 2jqi n ILE 45 N 0.55 2.06 -4.23 0.56 5.41 -1.26 -4.85 119.36 117.59 2jqi n ILE 45 Ca 0.02 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.14 2jqi n ILE 45 Cb 0.44 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 2jqi n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jqi s ARG 46 N -1.95 1.07 -0.15 0.38 0.52 -0.64 -5.03 118.95 113.15 2jqi s ARG 46 Ca 0.56 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 2jqi s ARG 46 Cb -0.55 -0.22 0.02 0.00 0.52 0.00 0.00 34.95 34.73 2jqi s ARG 46 CO 0.62 -0.13 -0.13 -0.51 0.02 0.00 0.00 175.30 175.16 2jqi s ASP 47 N -3.15 2.67 0.14 0.23 1.11 -1.26 -1.15 116.67 115.26 2jqi s ASP 47 Ca 0.23 -0.49 -0.30 0.00 0.18 0.00 0.00 52.55 52.17 2jqi s ASP 47 Cb 0.06 -1.15 -0.07 0.00 1.07 0.00 0.00 42.92 42.83 2jqi s ASP 47 CO 0.03 -0.06 0.99 -0.76 1.18 0.00 0.00 175.17 176.55 2jqi s LEU 48 N 1.50 4.52 0.05 1.23 1.02 0.37 -4.96 118.68 122.41 2jqi s LEU 48 Ca 0.05 1.89 -0.08 0.00 0.02 0.00 0.00 54.13 56.01 2jqi s LEU 48 Cb -0.13 -3.59 -0.00 0.00 0.02 0.00 0.00 46.19 42.48 2jqi s LEU 48 CO -0.10 -0.07 0.16 -0.94 0.02 0.00 0.00 176.35 175.41 2jqi s SER 49 N -0.18 0.11 -0.06 2.29 1.04 -1.26 0.30 113.70 115.93 2jqi s SER 49 Ca 0.47 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 56.32 2jqi s SER 49 Cb -0.25 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.17 2jqi s SER 49 CO 0.31 -0.58 0.20 0.00 0.98 0.00 0.00 173.24 174.15 2jqi s ALA 50 N -2.91 -0.50 0.31 5.32 0.00 0.29 -4.80 121.76 119.48 2jqi s ALA 50 Ca -0.02 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 2jqi s ALA 50 Cb 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 2jqi s ALA 50 CO -0.06 -0.12 1.07 -0.51 0.00 0.00 0.00 175.76 176.15 2jqi s ASP 51 N -0.15 7.15 0.20 0.00 1.01 -1.26 -4.62 116.67 118.99 2jqi s ASP 51 Ca -0.03 2.18 -0.09 0.00 0.71 0.00 0.00 52.55 55.32 2jqi s ASP 51 Cb -0.02 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.41 2jqi s ASP 51 CO 0.01 -0.22 1.73 0.40 0.21 0.00 0.00 175.17 177.30 2jqi h ILE 52 N 2.84 1.26 -0.98 0.77 1.08 -1.95 -2.63 117.51 117.89 2jqi h ILE 52 Ca -0.47 -0.89 0.08 0.00 -0.39 0.00 0.00 64.86 63.19 2jqi h ILE 52 Cb 1.21 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.39 2jqi h ILE 52 CO 0.66 0.35 0.63 0.28 -0.69 0.00 0.00 178.15 179.38 2jqi h SER 53 N 1.04 0.99 -0.20 1.72 0.02 -1.99 0.81 113.55 115.93 2jqi h SER 53 Ca 0.23 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2jqi h SER 53 Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2jqi h SER 53 CO -0.01 0.61 -0.29 1.56 -1.14 0.00 0.00 176.83 177.56 2jqi h GLN 54 N 1.11 0.69 -0.38 3.45 4.20 -1.90 -0.06 115.11 122.22 2jqi h GLN 54 Ca 0.44 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 2jqi h GLN 54 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jqi h GLN 54 CO -0.18 0.90 -0.10 0.28 -0.67 0.00 0.00 178.83 179.06 2jqi h VAL 55 N 0.59 1.28 -0.29 -0.54 2.07 -0.82 -1.42 116.25 117.12 2jqi h VAL 55 Ca 0.07 -1.18 -0.18 0.00 0.82 0.00 0.00 66.70 66.23 2jqi h VAL 55 Cb 0.80 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2jqi h VAL 55 CO 0.07 0.39 -0.53 -0.07 0.02 0.00 0.00 177.57 177.45 2jqi h LEU 56 N 0.55 0.93 -0.69 2.57 3.38 -0.81 -3.18 115.31 118.07 2jqi h LEU 56 Ca 0.10 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2jqi h LEU 56 Cb 0.62 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2jqi h LEU 56 CO 0.04 1.28 0.21 0.11 0.09 0.00 0.00 178.44 180.17 2jqi h LYS 57 N 0.65 1.07 -6.64 1.13 1.79 -0.96 -3.40 116.57 110.22 2jqi h LYS 57 Ca 0.02 -0.23 -0.56 0.00 -2.18 0.00 0.00 60.65 57.70 2jqi h LYS 57 Cb 1.13 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.56 2jqi h LYS 57 CO 0.12 0.93 0.99 -1.21 -1.08 0.00 0.00 179.45 179.19 2jqi s GLU 58 N -5.41 3.64 -0.43 3.15 2.02 -0.54 -4.88 118.70 116.26 2jqi s GLU 58 Ca -0.12 0.66 0.03 0.00 0.02 0.00 0.00 54.97 55.56 2jqi s GLU 58 Cb 0.14 -3.96 0.60 0.00 0.10 0.00 0.00 34.13 31.01 2jqi s GLU 58 CO 0.83 -1.49 1.86 1.63 0.02 0.00 0.00 175.26 178.11 2jqi n LYS 59 N 8.00 2.18 -1.28 1.61 4.76 -1.26 -4.88 118.16 127.29 2jqi n LYS 59 Ca 0.13 -2.79 0.00 0.00 -2.87 0.00 0.00 58.31 52.78 2jqi n LYS 59 Cb 0.49 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jqi n ARG 60 N -1.00 2.35 -1.36 1.97 1.74 -1.26 -5.03 116.66 114.07 2jqi n ARG 60 Ca 0.56 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.34 2jqi n ARG 60 Cb 1.52 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.99 2jqi n ARG 60 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2jqi n SER 61 N -1.03 7.08 -3.64 0.55 3.41 -1.26 -4.53 113.62 114.20 2jqi n SER 61 Ca 0.00 -3.48 -0.07 0.00 -0.26 0.00 0.00 58.87 55.06 2jqi n SER 61 Cb 0.00 -1.07 -0.07 0.00 -0.26 0.00 0.00 64.21 62.81 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2jqi s ILE 62 N -3.63 0.00 0.13 -1.33 1.10 -1.26 -4.18 121.20 112.02 2jqi s ILE 62 Ca 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.66 2jqi s ILE 62 Cb 0.40 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 42.01 2jqi s ILE 62 CO -0.13 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 172.99 2jqi n LYS 63 N 3.20 0.00 -3.77 3.50 5.02 0.21 -4.88 118.16 121.45 2jqi n LYS 63 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 2jqi n LYS 63 Cb 0.57 -0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 35.08 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jqi s LYS 64 N -2.00 0.41 -0.01 1.97 2.47 -1.14 -4.88 119.74 116.56 2jqi s LYS 64 Ca 0.00 0.35 0.01 0.00 -1.56 0.00 0.00 55.97 54.77 2jqi s LYS 64 Cb 0.00 0.19 -0.00 0.00 -1.46 0.00 0.00 37.83 36.56 2jqi s LYS 64 CO 0.00 -0.06 -0.05 0.08 0.16 0.00 0.00 175.35 175.48 2jqi s VAL 65 N -0.04 0.37 -0.08 4.02 1.01 -1.26 0.15 120.40 124.58 2jqi s VAL 65 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2jqi s VAL 65 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2jqi s VAL 65 CO 0.01 0.11 -0.06 0.26 0.00 0.00 0.00 175.10 175.42 2jqi s TRP 66 N -0.03 2.97 -0.15 5.22 0.51 0.57 -4.92 118.94 123.11 2jqi s TRP 66 Ca 0.01 0.01 -0.01 0.00 -2.12 0.00 0.00 56.10 53.99 2jqi s TRP 66 Cb -0.03 -1.74 -0.01 0.00 -0.81 0.00 0.00 33.47 30.88 2jqi s TRP 66 CO -0.00 0.32 -0.11 0.99 -0.51 0.00 0.00 176.95 177.63 2jqi s THR 67 N -0.72 3.08 0.04 2.01 2.01 -1.26 0.17 115.64 120.98 2jqi s THR 67 Ca 0.11 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2jqi s THR 67 Cb -0.11 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2jqi s THR 67 CO 0.02 0.50 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.95 2jqi s PHE 68 N 0.65 2.67 -5.00 4.92 0.40 0.55 0.11 117.98 122.28 2jqi s PHE 68 Ca -0.06 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 2jqi s PHE 68 Cb -0.15 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 41.88 2jqi s PHE 68 CO 0.03 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.67 2jqi n GLY 69 N 1.40 -1.31 0.12 4.36 0.00 -0.78 0.13 105.19 109.11 2jqi n GLY 69 Ca -0.15 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.72 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N 0.00 1.16 -2.95 1.61 1.74 0.37 -1.86 116.66 116.74 2jqi n ARG 70 Ca 0.00 -0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.43 2jqi n ARG 70 Cb 0.00 -1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -1.50 7.06 0.11 0.55 2.47 0.78 -4.73 114.94 119.67 2jqi s ASN 71 Ca 0.26 1.28 0.14 0.00 0.42 0.00 0.00 52.86 54.95 2jqi s ASN 71 Cb 0.12 -2.45 0.62 0.00 -1.45 0.00 0.00 41.25 38.09 2jqi s ASN 71 CO 0.20 -0.20 1.42 -2.65 -3.72 0.00 0.00 177.10 172.14 2jqi n PRO 72 N 4.11 0.06 0.05 0.43 -0.02 -1.26 -1.66 135.00 136.72 2jqi n PRO 72 Ca 0.01 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 2jqi n PRO 72 Cb 0.51 -1.66 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.23 0.04 -1.10 3.55 0.00 -1.95 -3.47 119.26 118.56 2jqi h ALA 73 Ca 0.00 -0.94 -0.70 0.00 0.00 0.00 0.00 54.91 53.27 2jqi h ALA 73 Cb 0.16 0.32 0.09 0.00 0.00 0.00 0.00 17.79 18.36 2jqi h ALA 73 CO 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 179.25 179.67 2jqi h ASP 75 N 1.78 0.00 -3.26 0.00 1.82 0.44 -3.36 116.42 113.83 2jqi h ASP 75 Ca -0.36 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.74 2jqi h ASP 75 Cb 1.43 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.06 2jqi h ASP 75 CO 0.60 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.97 2jqi s TYR 76 N -3.91 1.59 -0.24 0.28 5.04 0.40 -4.90 117.35 115.61 2jqi s TYR 76 Ca -0.03 -0.92 -0.16 0.00 -2.44 0.00 0.00 57.07 53.51 2jqi s TYR 76 Cb 0.09 -1.27 -0.03 0.00 0.35 0.00 0.00 41.96 41.10 2jqi s TYR 76 CO 0.28 -0.57 0.43 -1.58 -1.34 0.00 0.00 175.55 172.78 2jqi s HIS 77 N 1.67 3.30 -0.01 4.97 2.46 -1.26 -1.86 115.29 124.56 2jqi s HIS 77 Ca 0.03 0.56 -0.01 0.00 0.47 0.00 0.00 55.06 56.11 2jqi s HIS 77 Cb -0.14 -2.61 -0.00 0.00 -0.13 0.00 0.00 32.58 29.70 2jqi s HIS 77 CO -0.08 -0.17 -0.01 1.28 -2.47 0.00 0.00 174.74 173.29 2jqi n LEU 78 N 5.09 0.08 0.00 8.88 4.77 -0.77 -4.96 117.00 130.08 2jqi n LEU 78 Ca -0.07 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jqi n LEU 78 Cb 0.50 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jqi n LEU 78 CO 0.39 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 2jqi n GLY 79 N 1.51 -1.91 2.65 -0.72 0.00 -1.26 -4.94 105.19 100.51 2jqi n GLY 79 Ca -0.01 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 2jqi n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqi n ASN 80 N 0.00 -1.07 -4.69 1.61 0.23 -1.26 -4.72 115.26 105.36 2jqi n ASN 80 Ca 0.00 -1.60 -0.42 0.00 -0.53 0.00 0.00 54.58 52.03 2jqi n ASN 80 Cb 0.00 1.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.70 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2jqi s ILE 81 N 0.01 4.83 0.35 1.53 1.01 -1.26 -4.93 121.20 122.74 2jqi s ILE 81 Ca 0.11 1.95 0.06 0.00 0.00 0.00 0.00 60.65 62.77 2jqi s ILE 81 Cb 0.16 -4.27 0.30 0.00 0.01 0.00 0.00 42.46 38.66 2jqi s ILE 81 CO -0.11 0.05 1.93 0.28 0.00 0.00 0.00 174.94 177.08 2jqi h SER 82 N 7.07 0.69 0.46 3.58 0.02 -2.00 -0.18 113.55 123.18 2jqi h SER 82 Ca -0.33 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 2jqi h SER 82 Cb 1.16 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2jqi h SER 82 CO 0.83 0.42 -0.41 0.03 -1.14 0.00 0.00 176.83 176.56 2jqi h ARG 83 N 0.77 0.00 -6.20 3.45 2.47 -1.92 -3.43 114.38 109.52 2jqi h ARG 83 Ca 0.36 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.52 2jqi h ARG 83 Cb 0.38 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 2jqi h ARG 83 CO -0.13 0.41 -0.31 -0.51 0.56 0.00 0.00 179.97 179.98 2jqi s LEU 84 N -7.94 4.24 0.41 3.04 1.43 -0.08 -4.49 118.68 115.29 2jqi s LEU 84 Ca -0.02 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2jqi s LEU 84 Cb 0.14 -3.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 2jqi s LEU 84 CO 0.72 0.00 0.59 -0.94 0.23 0.00 0.00 176.35 176.96 2jqi s SER 85 N -2.77 5.83 0.22 2.29 1.04 -1.26 -4.63 113.70 114.42 2jqi s SER 85 Ca 0.40 0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 2jqi s SER 85 Cb -0.12 -1.32 0.23 0.00 0.10 0.00 0.00 66.02 64.92 2jqi s SER 85 CO 0.27 -0.63 1.57 0.78 0.98 0.00 0.00 173.24 176.21 2jqi h ASN 86 N 0.58 -1.23 -3.48 7.02 2.35 -1.92 -2.61 115.58 116.29 2jqi h ASN 86 Ca -0.45 0.28 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 2jqi h ASN 86 Cb 1.26 0.66 -0.42 0.00 0.05 0.00 0.00 38.32 39.87 2jqi h ASN 86 CO 0.54 -0.29 -0.58 -1.59 -1.65 0.00 0.00 177.43 173.86 2jqi s LYS 87 N -6.02 2.35 0.14 0.81 0.00 -1.26 0.14 119.74 115.89 2jqi s LYS 87 Ca -0.14 -3.14 -0.18 0.00 0.00 0.00 0.00 55.97 52.50 2jqi s LYS 87 Cb 0.20 -3.41 -0.03 0.00 0.00 0.00 0.00 37.83 34.59 2jqi s LYS 87 CO 0.72 -1.24 1.79 1.25 0.00 0.00 0.00 175.35 177.87 2jqi h HIS 88 N 5.73 0.37 -3.72 1.78 2.76 0.15 -3.36 115.15 118.86 2jqi h HIS 88 Ca 0.08 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 2jqi h HIS 88 Cb 0.79 -0.13 -0.16 0.00 1.55 0.00 0.00 27.41 29.47 2jqi h HIS 88 CO 0.64 0.24 -0.41 -0.59 -1.30 0.00 0.00 177.93 176.51 2jqi s PHE 89 N -6.15 0.13 -0.02 5.26 -0.71 -0.51 0.14 117.98 116.13 2jqi s PHE 89 Ca -0.13 -0.47 0.01 0.00 -1.04 0.00 0.00 56.93 55.31 2jqi s PHE 89 Cb 0.09 -0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.84 2jqi s PHE 89 CO 0.71 -0.47 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.94 2jqi s GLN 90 N -3.19 0.48 -0.14 1.99 0.74 0.30 0.20 119.66 120.05 2jqi s GLN 90 Ca -0.00 -0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.27 2jqi s GLN 90 Cb 0.02 -0.51 -0.03 0.00 1.10 0.00 0.00 33.01 33.59 2jqi s GLN 90 CO -0.07 0.02 -0.04 0.42 -0.55 0.00 0.00 175.29 175.06 2jqi s ILE 91 N 0.33 3.85 0.14 -2.34 1.01 0.46 0.16 121.20 124.81 2jqi s ILE 91 Ca -0.04 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.33 2jqi s ILE 91 Cb -0.07 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2jqi s ILE 91 CO -0.00 0.52 -0.24 -1.48 0.00 0.00 0.00 174.94 173.74 2jqi s LEU 92 N 0.11 2.36 -0.13 2.97 2.34 0.11 0.21 118.68 126.65 2jqi s LEU 92 Ca -0.01 -0.78 0.01 0.00 0.06 0.00 0.00 54.13 53.41 2jqi s LEU 92 Cb -0.14 -1.09 0.02 0.00 -0.56 0.00 0.00 46.19 44.43 2jqi s LEU 92 CO 0.03 0.11 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.07 2jqi s LEU 93 N -2.25 1.68 0.00 1.48 2.96 0.12 0.34 118.68 123.02 2jqi s LEU 93 Ca 0.14 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2jqi s LEU 93 Cb -0.09 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2jqi s LEU 93 CO 0.07 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 2jqi n GLY 94 N 4.50 2.09 5.91 7.98 0.00 -1.26 0.65 105.19 125.05 2jqi n GLY 94 Ca -0.18 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.40 2jqi n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqi n GLU 95 N 0.00 -0.53 -1.18 1.61 1.02 -1.26 -3.58 120.64 116.72 2jqi n GLU 95 Ca 0.00 0.35 -0.35 0.00 -0.02 0.00 0.00 57.16 57.14 2jqi n GLU 95 Cb 0.00 -0.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jqi n ASP 96 N -3.32 5.52 0.00 1.62 8.00 -1.26 -4.85 116.55 122.26 2jqi n ASP 96 Ca 0.00 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.94 2jqi n ASP 96 Cb 0.12 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqi n GLY 97 N 3.90 -2.34 1.26 0.44 0.00 -1.24 -5.10 105.19 102.12 2jqi n GLY 97 Ca 0.58 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.97 2jqi n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 98 N 0.19 -7.05 -4.80 1.61 3.02 -1.26 -4.70 115.26 102.26 2jqi n ASN 98 Ca 0.00 1.19 -0.22 0.00 -0.03 0.00 0.00 54.58 55.52 2jqi n ASN 98 Cb 0.00 -4.29 -0.05 0.00 -0.61 0.00 0.00 39.78 34.83 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqi s LEU 99 N -6.89 3.71 0.00 3.41 1.02 -1.26 -4.18 118.68 114.49 2jqi s LEU 99 Ca 0.00 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 53.88 2jqi s LEU 99 Cb 0.00 -2.24 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 2jqi s LEU 99 CO 0.00 -0.04 -0.17 -0.76 0.02 0.00 0.00 176.35 175.40 2jqi s LEU 100 N -3.82 2.07 -0.16 1.79 1.02 0.15 -1.07 118.68 118.66 2jqi s LEU 100 Ca 0.33 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 2jqi s LEU 100 Cb -0.08 -0.84 -0.01 0.00 0.02 0.00 0.00 46.19 45.28 2jqi s LEU 100 CO 0.24 0.17 -0.09 -0.22 0.02 0.00 0.00 176.35 176.48 2jqi s LEU 101 N -0.62 2.83 -0.23 1.79 2.96 -0.47 0.05 118.68 124.98 2jqi s LEU 101 Ca 0.06 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2jqi s LEU 101 Cb -0.07 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.98 2jqi s LEU 101 CO 0.00 0.10 -0.10 0.21 -1.32 0.00 0.00 176.35 175.24 2jqi s ASN 102 N 0.75 4.06 0.05 3.68 2.47 0.42 -2.53 114.94 123.84 2jqi s ASN 102 Ca -0.04 -0.90 -0.30 0.00 0.42 0.00 0.00 52.86 52.04 2jqi s ASN 102 Cb -0.15 -1.60 -0.04 0.00 -1.45 0.00 0.00 41.25 38.00 2jqi s ASN 102 CO 0.02 -0.11 0.98 1.51 -3.72 0.00 0.00 177.10 175.79 2jqi s ASP 103 N 1.28 7.41 -0.27 -4.21 1.47 -1.25 0.11 116.67 121.21 2jqi s ASP 103 Ca -0.00 1.74 0.22 0.00 1.18 0.00 0.00 52.55 55.69 2jqi s ASP 103 Cb -0.16 -2.58 0.50 0.00 -0.34 0.00 0.00 42.92 40.34 2jqi s ASP 103 CO -0.07 -0.19 1.14 2.30 0.68 0.00 0.00 175.17 179.03 2jqi n ILE 104 N 3.41 1.18 -3.95 2.11 -5.35 -0.75 0.23 119.36 116.25 2jqi n ILE 104 Ca 0.05 -2.79 -0.28 0.00 -0.27 0.00 0.00 62.75 59.45 2jqi n ILE 104 Cb 0.50 1.28 -0.04 0.00 -1.74 0.00 0.00 39.64 39.65 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jqi s SER 105 N -3.62 6.25 0.31 7.28 0.01 0.37 -4.17 113.70 120.14 2jqi s SER 105 Ca 0.26 0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.79 2jqi s SER 105 Cb 0.33 -1.88 0.52 0.00 0.21 0.00 0.00 66.02 65.20 2jqi s SER 105 CO -0.05 0.11 1.73 0.74 0.41 0.00 0.00 173.24 176.18 2jqi h THR 106 N 1.88 1.31 0.00 1.44 2.02 -1.88 -3.16 112.91 114.53 2jqi h THR 106 Ca -0.47 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2jqi h THR 106 Cb 1.18 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jqi h THR 106 CO 0.71 0.44 -1.79 0.59 0.37 0.00 0.00 175.52 175.84 2jqi n ASN 107 N -4.03 0.18 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 2jqi n ASN 107 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jqi n ASN 107 Cb 0.47 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 41.33 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 108 N 1.25 3.14 3.36 7.41 0.00 -1.19 -4.83 105.19 114.33 2jqi n GLY 108 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2jqi n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqi s THR 109 N -2.74 2.50 0.09 2.61 2.01 -1.26 -4.29 115.64 114.55 2jqi s THR 109 Ca 0.00 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2jqi s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2jqi s THR 109 CO 0.00 0.58 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 2jqi s TRP 110 N -0.44 2.53 -0.21 4.92 0.51 0.37 -2.68 118.94 123.94 2jqi s TRP 110 Ca 0.05 -0.27 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 2jqi s TRP 110 Cb -0.12 -1.38 0.05 0.00 -0.81 0.00 0.00 33.47 31.21 2jqi s TRP 110 CO 0.01 0.34 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.53 2jqi s LEU 111 N -1.91 2.42 -1.65 2.99 2.96 0.93 0.13 118.68 124.55 2jqi s LEU 111 Ca 0.17 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.45 2jqi s LEU 111 CO 0.08 -0.16 0.57 0.59 -1.32 0.00 0.00 176.35 176.11 2jqi n ASN 112 N 4.66 -1.84 0.00 3.68 3.02 -1.07 0.76 115.26 124.47 2jqi n ASN 112 Ca -0.14 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2jqi n ASN 112 Cb 0.46 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 113 N -1.63 1.98 3.45 7.41 0.00 -1.26 -5.01 105.19 110.13 2jqi n GLY 113 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2jqi n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jqi s GLN 114 N -0.33 3.56 0.04 1.61 0.74 0.23 -5.07 119.66 120.43 2jqi s GLN 114 Ca 0.00 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 2jqi s GLN 114 Cb 0.00 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 2jqi s GLN 114 CO 0.00 -0.26 1.23 0.21 -0.55 0.00 0.00 175.29 175.92 2jqi s LYS 115 N 1.62 4.39 0.37 1.67 2.47 -1.26 -0.05 119.74 128.95 2jqi s LYS 115 Ca 0.06 1.79 0.07 0.00 -1.56 0.00 0.00 55.97 56.33 2jqi s LYS 115 Cb -0.16 -3.40 -0.00 0.00 -1.46 0.00 0.00 37.83 32.81 2jqi s LYS 115 CO 0.05 -0.34 0.52 0.14 0.16 0.00 0.00 175.35 175.88 2jqi s VAL 116 N 1.42 3.68 0.03 4.02 -7.23 -1.09 -4.94 120.40 116.28 2jqi s VAL 116 Ca 0.59 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 2jqi s VAL 116 Cb -0.29 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 2jqi s VAL 116 CO 0.28 -0.11 1.42 -1.61 -0.31 0.00 0.00 175.10 174.76 2jqi s GLU 117 N -4.27 4.28 0.99 4.82 2.02 -1.26 -4.69 118.70 120.60 2jqi s GLU 117 Ca 0.49 2.01 -0.14 0.00 0.02 0.00 0.00 54.97 57.35 2jqi s GLU 117 Cb -0.10 -3.52 0.05 0.00 0.10 0.00 0.00 34.13 30.67 2jqi s GLU 117 CO 0.32 -0.56 0.32 1.17 0.02 0.00 0.00 175.26 176.53 2jqi n LYS 118 N 5.14 -0.60 -3.05 1.61 4.81 -1.26 -2.17 118.16 122.64 2jqi n LYS 118 Ca 0.13 -0.14 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 2jqi n LYS 118 Cb 0.43 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.62 2jqi n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jqi n ASN 119 N -1.41 -1.10 -4.57 3.14 0.23 0.62 -4.85 115.26 107.31 2jqi n ASN 119 Ca 0.05 -0.43 -0.32 0.00 -0.53 0.00 0.00 54.58 53.36 2jqi n ASN 119 Cb 0.55 -1.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.15 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2jqi s SER 120 N -2.19 4.48 -0.17 0.53 1.04 -0.92 -4.91 113.70 111.56 2jqi s SER 120 Ca 0.38 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.42 2jqi s SER 120 Cb -0.22 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 2jqi s SER 120 CO 0.47 0.27 0.49 0.20 0.98 0.00 0.00 173.24 175.64 2jqi s ASN 121 N -1.52 6.59 0.05 7.02 -0.87 -1.26 -3.92 114.94 121.03 2jqi s ASN 121 Ca 0.17 0.71 0.06 0.00 -1.57 0.00 0.00 52.86 52.23 2jqi s ASN 121 Cb -0.11 -2.28 -0.03 0.00 -0.02 0.00 0.00 41.25 38.81 2jqi s ASN 121 CO 0.08 -0.09 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.26 2jqi s GLN 122 N 1.19 0.98 -0.23 -0.60 -1.52 -1.05 -4.93 119.66 113.51 2jqi s GLN 122 Ca 0.24 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.49 2jqi s GLN 122 Cb -0.15 -1.03 -0.02 0.00 -0.22 0.00 0.00 33.01 31.60 2jqi s GLN 122 CO 0.10 0.25 1.43 -1.17 -0.25 0.00 0.00 175.29 175.64 2jqi s LEU 123 N -1.36 3.98 1.08 2.90 0.20 -1.26 -1.36 118.68 122.86 2jqi s LEU 123 Ca 0.02 1.53 -0.16 0.00 0.69 0.00 0.00 54.13 56.20 2jqi s LEU 123 Cb -0.09 -3.54 0.11 0.00 -0.43 0.00 0.00 46.19 42.25 2jqi s LEU 123 CO 0.02 -1.06 0.26 0.18 -0.29 0.00 0.00 176.35 175.45 2jqi n LEU 124 N 7.66 -1.55 -4.31 -0.68 7.99 -0.23 -4.93 117.00 120.94 2jqi n LEU 124 Ca 0.16 -0.01 -0.22 0.00 -0.01 0.00 0.00 56.01 55.93 2jqi n LEU 124 Cb 0.45 -1.07 -0.12 0.00 -0.11 0.00 0.00 43.42 42.58 2jqi n LEU 124 CO 0.62 -3.21 -0.49 -0.44 -1.51 0.00 0.00 177.39 172.35 2jqi s SER 125 N -1.97 2.60 -0.25 -1.43 0.01 -1.26 -4.90 113.70 106.49 2jqi s SER 125 Ca 0.58 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2jqi s SER 125 Cb -0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2jqi s SER 125 CO 0.66 -0.01 1.52 -1.58 0.41 0.00 0.00 173.24 174.25 2jqi s GLN 126 N -2.47 3.81 -1.39 12.44 2.00 -1.26 -2.40 119.66 130.39 2jqi s GLN 126 Ca 0.12 1.51 0.00 0.00 -2.00 0.00 0.00 55.36 54.99 2jqi s GLN 126 Cb -0.07 -3.99 0.00 0.00 0.80 0.00 0.00 33.01 29.74 2jqi s GLN 126 CO 0.06 -1.27 0.00 0.41 -0.50 0.00 0.00 175.29 173.99 2jqi n GLY 127 N 4.60 0.39 3.30 2.59 0.00 -0.80 -4.98 105.19 110.28 2jqi n GLY 127 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2jqi n GLY 127 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqi s ASP 128 N -2.51 -0.97 -0.08 1.61 2.15 -0.58 -4.52 116.67 111.77 2jqi s ASP 128 Ca 0.00 1.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.94 2jqi s ASP 128 Cb 0.00 -1.48 0.03 0.00 -0.30 0.00 0.00 42.92 41.17 2jqi s ASP 128 CO 0.00 -5.33 0.20 -1.61 -0.17 0.00 0.00 175.17 168.26 2jqi s GLU 129 N -4.90 0.20 -0.17 4.34 2.02 -1.26 0.11 118.70 119.04 2jqi s GLU 129 Ca 0.68 0.35 -0.02 0.00 0.02 0.00 0.00 54.97 56.01 2jqi s GLU 129 Cb -0.16 -0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 2jqi s GLU 129 CO 0.60 -0.09 -0.09 0.42 0.02 0.00 0.00 175.26 176.12 2jqi s ILE 130 N 0.58 3.27 -0.07 -1.63 1.01 0.35 -2.60 121.20 122.11 2jqi s ILE 130 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2jqi s ILE 130 Cb -0.05 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2jqi s ILE 130 CO -0.03 0.49 0.06 -0.89 0.00 0.00 0.00 174.94 174.56 2jqi s THR 131 N 0.77 4.73 0.05 2.92 2.01 0.34 -0.32 115.64 126.13 2jqi s THR 131 Ca -0.04 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 2jqi s THR 131 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2jqi s THR 131 CO 0.01 0.54 -0.02 0.68 -0.69 0.00 0.00 174.62 175.14 2jqi s VAL 132 N -1.00 0.20 0.00 3.82 -7.23 0.16 0.14 120.40 116.48 2jqi s VAL 132 Ca 0.16 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2jqi s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2jqi s VAL 132 CO 0.06 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jqi n GLY 133 N 0.33 0.76 3.78 2.32 0.00 -1.26 0.12 105.19 111.24 2jqi n GLY 133 Ca -0.16 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2jqi n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 134 N -3.00 4.37 0.00 1.61 1.01 -1.26 -2.70 120.40 120.43 2jqi s VAL 134 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2jqi s VAL 134 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2jqi s VAL 134 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2jqi n GLY 135 N 1.50 3.48 2.99 4.51 0.00 -1.26 -5.00 105.19 111.41 2jqi n GLY 135 Ca -0.05 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2jqi n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 136 N 0.00 1.36 0.60 1.61 1.01 -1.26 -5.01 120.40 118.71 2jqi s VAL 136 Ca 0.00 -0.52 0.28 0.00 0.00 0.00 0.00 61.98 61.74 2jqi s VAL 136 Cb 0.00 -1.29 0.36 0.00 0.00 0.00 0.00 36.38 35.46 2jqi s VAL 136 CO 0.00 0.42 1.79 -0.33 0.00 0.00 0.00 175.10 176.98 2jqi h GLU 137 N 7.85 0.00 -0.32 2.72 4.39 -1.98 0.70 114.58 127.94 2jqi h GLU 137 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2jqi h GLU 137 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2jqi h GLU 137 CO 0.48 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.78 2jqi n SER 138 N -3.50 2.41 -0.82 1.42 2.88 -1.26 -4.17 113.62 110.57 2jqi n SER 138 Ca 0.09 -1.88 0.05 0.00 -1.33 0.00 0.00 58.87 55.80 2jqi n SER 138 Cb 0.77 -0.21 0.09 0.00 -0.75 0.00 0.00 64.21 64.11 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jqi n ASP 139 N 0.81 1.25 -4.67 -3.46 9.92 0.24 -5.05 116.55 115.59 2jqi n ASP 139 Ca 0.17 -2.76 -0.35 0.00 -0.53 0.00 0.00 54.79 51.32 2jqi n ASP 139 Cb 0.42 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.43 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jqi s ILE 140 N -1.44 4.29 -0.06 0.53 1.01 -1.10 -4.26 121.20 120.17 2jqi s ILE 140 Ca 0.29 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2jqi s ILE 140 Cb 0.30 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 2jqi s ILE 140 CO -0.08 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 175.02 2jqi s LEU 141 N -0.81 2.00 -0.09 2.97 2.96 0.32 -4.94 118.68 121.10 2jqi s LEU 141 Ca 0.12 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2jqi s LEU 141 Cb -0.11 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 2jqi s LEU 141 CO 0.02 0.19 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.74 2jqi s SER 142 N 0.00 4.59 0.03 3.68 0.01 -1.26 0.38 113.70 121.13 2jqi s SER 142 Ca -0.06 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2jqi s SER 142 Cb -0.14 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 2jqi s SER 142 CO 0.04 0.31 -0.12 -0.76 0.41 0.00 0.00 173.24 173.11 2jqi s LEU 143 N -0.46 2.15 -0.10 2.44 2.01 0.56 -3.74 118.68 121.54 2jqi s LEU 143 Ca 0.07 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.80 2jqi s LEU 143 Cb -0.12 -0.53 -0.03 0.00 0.01 0.00 0.00 46.19 45.52 2jqi s LEU 143 CO 0.02 0.02 -0.09 -0.69 1.01 0.00 0.00 176.35 176.63 2jqi s VAL 144 N -0.78 3.52 -0.23 -1.59 1.01 0.33 0.13 120.40 122.80 2jqi s VAL 144 Ca 0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2jqi s VAL 144 Cb -0.07 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2jqi s VAL 144 CO 0.01 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.09 2jqi s ILE 145 N -0.30 4.28 -0.22 2.22 -1.09 0.29 0.78 121.20 127.16 2jqi s ILE 145 Ca 0.04 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 2jqi s ILE 145 Cb -0.13 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2jqi s ILE 145 CO 0.03 0.38 -0.06 0.12 -1.23 0.00 0.00 174.94 174.18 2jqi s PHE 146 N 1.27 2.97 -0.12 3.97 5.36 0.35 -1.53 117.98 130.25 2jqi s PHE 146 Ca 0.04 -1.12 -0.25 0.00 -0.96 0.00 0.00 56.93 54.65 2jqi s PHE 146 Cb -0.15 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.42 2jqi s PHE 146 CO 0.03 -0.61 0.80 0.42 -1.46 0.00 0.00 175.22 174.40 2jqi s ILE 147 N 1.44 4.94 -0.34 3.12 1.01 -1.26 0.19 121.20 130.29 2jqi s ILE 147 Ca 0.05 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 62.02 2jqi s ILE 147 Cb -0.15 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.22 2jqi s ILE 147 CO -0.04 0.12 1.01 0.21 0.00 0.00 0.00 174.94 176.24 2jqi s ASN 148 N 1.02 6.81 0.53 3.58 2.47 -1.16 -4.90 114.94 123.29 2jqi s ASN 148 Ca 0.39 0.84 0.31 0.00 0.42 0.00 0.00 52.86 54.82 2jqi s ASN 148 Cb -0.17 -2.51 1.42 0.00 -1.45 0.00 0.00 41.25 38.54 2jqi s ASN 148 CO 0.16 -0.88 2.02 0.44 -3.72 0.00 0.00 177.10 175.13 2jqi h ASP 149 N 8.28 0.00 -0.70 -4.21 3.32 -1.92 -2.90 116.42 118.29 2jqi h ASP 149 Ca -0.22 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.88 2jqi h ASP 149 Cb 1.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2jqi h ASP 149 CO 1.01 0.09 0.41 0.11 -1.72 0.00 0.00 179.24 179.14 2jqi h LYS 150 N 0.00 0.74 -0.87 3.56 1.57 -1.90 -1.25 116.57 118.41 2jqi h LYS 150 Ca -0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2jqi h LYS 150 Cb 0.45 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 2jqi h LYS 150 CO 0.01 0.49 0.57 0.35 -0.57 0.00 0.00 179.45 180.30 2jqi h PHE 151 N 0.76 0.99 -0.27 -1.35 3.57 -1.69 -0.85 116.94 118.11 2jqi h PHE 151 Ca 0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2jqi h PHE 151 Cb 0.14 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2jqi h PHE 151 CO -0.06 0.52 -0.11 0.87 -2.23 0.00 0.00 178.31 177.30 2jqi h LYS 152 N 0.98 0.44 -0.31 1.11 1.57 -1.36 -2.78 116.57 116.22 2jqi h LYS 152 Ca 0.38 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2jqi h LYS 152 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2jqi h LYS 152 CO -0.14 0.56 0.19 0.37 -0.57 0.00 0.00 179.45 179.86 2jqi h GLN 153 N 0.42 0.39 -0.33 3.15 4.15 -0.69 -0.85 115.11 121.35 2jqi h GLN 153 Ca 0.08 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2jqi h GLN 153 Cb 0.44 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jqi h GLN 153 CO 0.02 0.26 0.14 0.00 -1.93 0.00 0.00 178.83 177.32 2jqi h LEU 155 N 0.39 0.63 -0.68 0.00 6.46 -1.28 0.89 115.31 121.71 2jqi h LEU 155 Ca 0.11 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.74 2jqi h LEU 155 Cb 0.16 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2jqi h LEU 155 CO -0.01 0.43 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.71 2jqi h GLU 156 N 0.76 0.49 0.00 1.25 4.57 -0.95 -2.92 114.58 117.77 2jqi h GLU 156 Ca 0.26 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2jqi h GLU 156 Cb 0.05 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2jqi h GLU 156 CO -0.12 0.84 -0.44 0.37 -1.18 0.00 0.00 179.01 178.48 2jqi h GLN 157 N 0.39 0.00 -2.72 1.92 4.15 -0.08 -3.37 115.11 115.41 2jqi h GLN 157 Ca 0.03 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.84 2jqi h GLN 157 Cb 0.94 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.22 2jqi h GLN 157 CO 0.08 0.44 -0.66 0.09 -1.93 0.00 0.00 178.83 176.85 2jqi n ASN 158 N -3.27 2.55 -4.29 -0.69 3.02 0.30 -5.06 115.26 107.82 2jqi n ASN 158 Ca 0.02 -3.12 -0.24 0.00 -0.03 0.00 0.00 54.58 51.21 2jqi n ASN 158 Cb 0.67 -0.70 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jqi s LYS 159 N -1.48 1.14 -0.30 3.52 2.20 -1.18 -4.67 119.74 118.97 2jqi s LYS 159 Ca 0.30 -1.19 -0.26 0.00 -0.36 0.00 0.00 55.97 54.47 2jqi s LYS 159 Cb 0.03 -1.39 0.01 0.00 -1.51 0.00 0.00 37.83 34.96 2jqi s LYS 159 CO -0.13 0.32 0.89 0.54 -0.36 0.00 0.00 175.35 176.60 2jqi s VAL 160 N -1.26 4.71 -0.25 4.02 0.11 -1.26 -5.03 120.40 121.45 2jqi s VAL 160 Ca 0.07 1.45 -0.06 0.00 -2.93 0.00 0.00 61.98 60.51 2jqi s VAL 160 Cb -0.10 -4.23 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 2jqi s VAL 160 CO 0.04 -0.29 0.03 -0.62 -3.33 0.00 0.00 175.10 170.93 2jqi s ASP 161 N 1.56 4.79 -0.00 3.54 2.15 -1.26 -5.10 116.67 122.35 2jqi s ASP 161 Ca 0.37 -0.39 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 2jqi s ASP 161 Cb -0.14 -1.84 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2jqi s ASP 161 CO 0.12 -0.06 0.19 -0.13 -0.17 0.00 0.00 175.17 175.12 2jqi s ARG 162 N 1.53 3.45 -0.21 4.34 0.52 -1.26 -5.09 118.95 122.23 2jqi s ARG 162 Ca 0.05 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 2jqi s ARG 162 Cb -0.15 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 2jqi s ARG 162 CO 0.00 0.67 0.15 0.96 0.02 0.00 0.00 175.30 177.11 2jqi s ILE 163 N -1.33 5.38 0.00 1.52 -4.36 -1.26 -5.34 121.20 115.80 2jqi s ILE 163 Ca 0.28 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 2jqi s ILE 163 Cb -0.13 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.09 2jqi s ILE 163 CO 0.19 0.40 0.00 -1.14 0.24 0.00 0.00 174.94 174.63