#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4j s GLN 16 N 0.00 1.19 -0.11 0.00 1.11 0.53 -4.82 119.66 117.56 1j4j s GLN 16 Ca 0.00 -1.30 -0.19 0.00 0.01 0.00 0.00 55.36 53.88 1j4j s GLN 16 Cb 0.00 -1.31 -0.04 0.00 -1.01 0.00 0.00 33.01 30.65 1j4j s GLN 16 CO 0.00 0.28 0.51 -1.17 0.01 0.00 0.00 175.29 174.92 1j4j s LEU 17 N -2.37 4.28 0.01 2.90 2.96 -1.26 -0.21 118.68 124.99 1j4j s LEU 17 Ca 0.12 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1j4j s LEU 17 Cb -0.07 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1j4j s LEU 17 CO 0.05 -0.02 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.89 1j4j s ARG 18 N 0.66 0.33 -0.06 1.98 1.81 -0.43 -5.00 118.95 118.24 1j4j s ARG 18 Ca 0.28 -0.29 -0.27 0.00 -1.72 0.00 0.00 55.73 53.72 1j4j s ARG 18 Cb -0.15 -0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1j4j s ARG 18 CO 0.11 0.06 0.88 0.50 -0.68 0.00 0.00 175.30 176.17 1j4j s ARG 19 N -0.50 4.47 -0.01 3.54 3.52 -1.26 -1.74 118.95 126.97 1j4j s ARG 19 Ca -0.03 1.20 -0.23 0.00 -0.13 0.00 0.00 55.73 56.54 1j4j s ARG 19 Cb -0.04 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1j4j s ARG 19 CO -0.00 -0.09 0.69 0.08 -0.81 0.00 0.00 175.30 175.17 1j4j s VAL 20 N 1.24 4.90 0.57 7.11 1.01 0.95 -4.99 120.40 131.19 1j4j s VAL 20 Ca 0.45 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1j4j s VAL 20 Cb -0.19 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.23 1j4j s VAL 20 CO 0.22 0.34 0.66 0.42 0.00 0.00 0.00 175.10 176.73 1j4j s THR 21 N 0.22 1.88 0.34 3.92 -4.23 -1.26 -4.46 115.64 112.05 1j4j s THR 21 Ca 0.36 -1.19 0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1j4j s THR 21 Cb -0.19 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.64 1j4j s THR 21 CO 0.20 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.04 1j4j h ALA 22 N 0.36 1.27 -0.01 3.99 0.00 -1.93 -1.35 119.26 121.59 1j4j h ALA 22 Ca -0.32 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 1j4j h ALA 22 Cb 1.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1j4j h ALA 22 CO 0.47 0.54 -0.79 0.93 0.00 0.00 0.00 179.25 180.39 1j4j h GLU 23 N 0.04 0.10 -0.01 0.00 3.07 -1.99 -3.25 114.58 112.55 1j4j h GLU 23 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1j4j h GLU 23 Cb 0.75 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1j4j h GLU 23 CO 0.06 0.84 -0.41 -1.13 -1.40 0.00 0.00 179.01 176.96 1j4j n SER 24 N -3.67 1.77 -0.22 1.42 3.41 -1.14 -4.46 113.62 110.74 1j4j n SER 24 Ca -0.02 -1.36 0.03 0.00 -0.26 0.00 0.00 58.87 57.26 1j4j n SER 24 Cb 0.75 0.38 0.14 0.00 -0.26 0.00 0.00 64.21 65.23 1j4j n SER 24 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1j4j h PHE 25 N 2.14 0.20 -0.91 7.33 3.57 -1.28 -0.95 116.94 127.04 1j4j h PHE 25 Ca 0.00 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.73 1j4j h PHE 25 Cb 0.69 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1j4j h PHE 25 CO 0.00 -0.08 0.59 0.00 -2.23 0.00 0.00 178.31 176.60 1j4j h ALA 26 N 1.55 2.03 -0.25 2.41 0.00 -1.80 0.31 119.26 123.52 1j4j h ALA 26 Ca 0.36 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1j4j h ALA 26 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j4j h ALA 26 CO -0.47 -0.32 -0.18 1.25 0.00 0.00 0.00 179.25 179.53 1j4j h HIS 27 N 0.53 0.47 -0.02 0.00 -0.00 -1.48 -3.22 115.15 111.43 1j4j h HIS 27 Ca 0.48 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 1j4j h HIS 27 Cb 1.01 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1j4j h HIS 27 CO -0.00 0.59 -0.09 0.66 -0.00 0.00 0.00 177.93 179.09 1j4j n TYR 28 N -4.18 0.00 -0.18 5.26 4.02 -0.06 -4.63 117.16 117.39 1j4j n TYR 28 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1j4j n TYR 28 Cb 0.35 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 1j4j n TYR 28 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1j4j h ARG 29 N 3.29 0.25 0.25 -0.72 2.43 -1.12 0.31 114.38 119.08 1j4j h ARG 29 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1j4j h ARG 29 Cb 0.74 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1j4j h ARG 29 CO 0.00 0.17 -0.12 1.25 -1.51 0.00 0.00 179.97 179.76 1j4j h HIS 30 N 0.26 -0.31 -0.73 2.20 2.76 -1.82 -1.71 115.15 115.80 1j4j h HIS 30 Ca 0.28 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.57 1j4j h HIS 30 Cb 0.38 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 1j4j h HIS 30 CO -0.23 -0.00 0.48 0.78 -1.30 0.00 0.00 177.93 177.66 1j4j h GLY 31 N -0.64 0.70 1.34 5.26 0.00 -1.69 -0.62 103.07 107.42 1j4j h GLY 31 Ca -0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 1j4j h GLY 31 CO 0.06 0.08 -0.59 -2.00 0.00 0.00 0.00 176.54 174.08 1j4j h LEU 32 N 0.43 0.77 -0.80 3.11 5.85 -0.76 -2.01 115.31 121.90 1j4j h LEU 32 Ca 0.35 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1j4j h LEU 32 Cb 0.76 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1j4j h LEU 32 CO -0.11 1.19 -0.37 0.00 -0.34 0.00 0.00 178.44 178.81 1j4j h ALA 33 N 0.82 0.97 -0.19 1.25 0.00 -0.22 -1.23 119.26 120.67 1j4j h ALA 33 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1j4j h ALA 33 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1j4j h ALA 33 CO 0.12 0.61 -0.44 1.96 0.00 0.00 0.00 179.25 181.50 1j4j h GLN 34 N 0.39 0.47 -0.01 0.00 4.20 -1.12 -0.32 115.11 118.73 1j4j h GLN 34 Ca 0.04 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1j4j h GLN 34 Cb 0.83 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1j4j h GLN 34 CO 0.07 0.82 0.00 1.25 -0.67 0.00 0.00 178.83 180.30 1j4j h LEU 35 N 0.39 0.01 -0.59 1.46 5.85 -1.00 0.20 115.31 121.63 1j4j h LEU 35 Ca 0.03 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1j4j h LEU 35 Cb 0.93 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1j4j h LEU 35 CO 0.08 0.13 0.34 0.25 -0.34 0.00 0.00 178.44 178.90 1j4j h LEU 36 N -0.10 0.54 -0.00 2.25 5.85 -1.14 0.63 115.31 123.33 1j4j h LEU 36 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1j4j h LEU 36 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1j4j h LEU 36 CO -0.00 0.37 -0.18 0.15 -0.34 0.00 0.00 178.44 178.44 1j4j h PHE 37 N 0.67 -0.48 -0.05 1.25 3.57 -0.37 0.12 116.94 121.65 1j4j h PHE 37 Ca 0.25 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1j4j h PHE 37 Cb 0.08 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1j4j h PHE 37 CO -0.07 -0.26 -0.36 0.93 -2.23 0.00 0.00 178.31 176.32 1j4j h GLU 38 N -0.30 0.10 -0.12 1.11 5.08 -0.34 -1.51 114.58 118.60 1j4j h GLU 38 Ca 0.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1j4j h GLU 38 Cb 0.37 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1j4j h GLU 38 CO -0.18 0.45 -0.48 1.15 -1.00 0.00 0.00 179.01 178.95 1j4j h THR 39 N 0.09 1.36 0.42 1.13 2.02 -0.44 -0.42 112.91 117.07 1j4j h THR 39 Ca 0.01 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 1j4j h THR 39 Cb 0.68 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1j4j h THR 39 CO 0.05 0.54 -0.22 0.58 0.37 0.00 0.00 175.52 176.84 1j4j h VAL 40 N 0.17 0.54 0.00 3.16 2.07 -0.62 -2.44 116.25 119.12 1j4j h VAL 40 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j4j h VAL 40 Cb 1.12 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1j4j h VAL 40 CO 0.10 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.10 1j4j n HIS 41 N -5.36 0.00 1.51 1.57 8.25 -0.58 -0.14 115.22 120.48 1j4j n HIS 41 Ca -0.11 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.50 1j4j n HIS 41 Cb 0.26 -0.31 0.69 0.00 1.12 0.00 0.00 29.99 31.75 1j4j n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j4j n GLY 42 N 0.19 -0.95 0.00 -1.41 0.00 -0.17 -4.93 105.19 97.93 1j4j n GLY 42 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1j4j n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4j n GLY 43 N 1.23 0.48 3.78 -0.02 0.00 0.81 -5.06 105.19 106.40 1j4j n GLY 43 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1j4j n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4j s ALA 44 N -2.00 2.65 -0.70 4.61 0.00 -1.08 -4.62 121.76 120.62 1j4j s ALA 44 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 1j4j s ALA 44 Cb 0.00 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.96 1j4j s ALA 44 CO 0.00 -0.88 0.72 -1.12 0.00 0.00 0.00 175.76 174.47 1j4j s SER 45 N -2.18 6.45 -0.19 0.00 0.01 -1.26 -4.60 113.70 111.94 1j4j s SER 45 Ca 0.69 -2.08 0.17 0.00 1.31 0.00 0.00 55.95 56.04 1j4j s SER 45 Cb -0.21 -2.25 0.45 0.00 0.21 0.00 0.00 66.02 64.22 1j4j s SER 45 CO 0.32 -0.83 1.17 1.33 0.41 0.00 0.00 173.24 175.64 1j4j n VAL 46 N 4.86 1.49 0.00 3.43 0.24 -1.26 -4.75 118.33 122.34 1j4j n VAL 46 Ca 0.02 -2.82 0.00 0.00 -2.04 0.00 0.00 64.34 59.50 1j4j n VAL 46 Cb 0.44 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1j4j n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j4j n GLY 47 N -0.48 0.80 0.00 7.63 0.00 -1.26 -5.04 105.19 106.83 1j4j n GLY 47 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1j4j n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j4j n PHE 48 N -1.18 0.00 0.13 1.61 3.01 -1.26 -5.14 117.46 114.63 1j4j n PHE 48 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1j4j n PHE 48 Cb 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1j4j n PHE 48 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j4j h ALA 50 N 1.00 0.66 -0.01 4.37 0.00 -1.23 -3.38 119.26 120.66 1j4j h ALA 50 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j4j h ALA 50 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j4j h ALA 50 CO 0.00 0.13 -0.05 -0.40 0.00 0.00 0.00 179.25 178.94 1j4j n ASP 51 N -2.84 0.95 -4.57 0.00 5.75 -1.26 -4.91 116.55 109.67 1j4j n ASP 51 Ca 0.00 -1.17 -0.50 0.00 -0.01 0.00 0.00 54.79 53.11 1j4j n ASP 51 Cb 0.59 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.63 1j4j n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1j4j n LEU 52 N -0.36 1.34 0.00 -2.12 7.94 -1.26 -5.02 117.00 117.53 1j4j n LEU 52 Ca 0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 1j4j n LEU 52 Cb 0.29 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1j4j n LEU 52 CO 0.19 -1.35 0.00 -0.90 -1.11 0.00 0.00 177.39 174.22 1j4j n ASP 53 N 2.07 0.00 0.00 1.96 5.68 -1.26 -5.01 116.55 119.99 1j4j n ASP 53 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 1j4j n ASP 53 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1j4j n ASP 53 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1j4j n GLN 55 N 0.00 0.00 -0.02 0.11 7.27 -1.26 -1.88 117.38 121.60 1j4j n GLN 55 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 1j4j n GLN 55 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 1j4j n GLN 55 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1j4j h GLN 56 N 0.00 0.65 -0.40 3.69 4.15 -1.95 -2.42 115.11 118.84 1j4j h GLN 56 Ca 0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1j4j h GLN 56 Cb 0.00 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1j4j h GLN 56 CO 0.00 1.00 0.25 0.00 -1.93 0.00 0.00 178.83 178.15 1j4j h ALA 57 N 0.92 0.51 -0.90 3.38 0.00 -1.72 0.23 119.26 121.68 1j4j h ALA 57 Ca 0.02 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1j4j h ALA 57 Cb 1.06 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1j4j h ALA 57 CO 0.10 -0.01 0.54 1.88 0.00 0.00 0.00 179.25 181.77 1j4j h TYR 58 N 0.53 0.99 -0.48 0.00 0.99 -1.82 0.98 116.97 118.17 1j4j h TYR 58 Ca 0.14 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.84 1j4j h TYR 58 Cb -0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.38 1j4j h TYR 58 CO -0.04 0.42 0.05 0.00 -0.00 0.00 0.00 178.16 178.60 1j4j h ALA 59 N 1.47 1.19 -0.03 3.88 0.00 -0.78 0.26 119.26 125.25 1j4j h ALA 59 Ca 0.43 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1j4j h ALA 59 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j4j h ALA 59 CO -0.24 0.54 0.01 2.35 0.00 0.00 0.00 179.25 181.91 1j4j h TRP 60 N 0.73 0.05 -0.21 0.00 7.01 0.57 -1.58 115.95 122.52 1j4j h TRP 60 Ca 0.15 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.20 1j4j h TRP 60 Cb 0.37 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1j4j h TRP 60 CO 0.02 0.27 -0.13 0.00 -2.79 0.00 0.00 178.44 175.80 1j4j h ASP 62 N -0.13 0.24 0.03 0.00 3.32 -0.33 0.05 116.42 119.61 1j4j h ASP 62 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1j4j h ASP 62 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1j4j h ASP 62 CO -0.28 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 1j4j n GLY 63 N -1.53 -0.72 0.08 2.75 0.00 -0.61 -2.85 105.19 102.31 1j4j n GLY 63 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1j4j n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j4j n LEU 64 N -1.02 0.51 -0.26 0.99 4.77 0.00 -4.48 117.00 117.51 1j4j n LEU 64 Ca 0.16 0.22 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1j4j n LEU 64 Cb 0.08 0.11 0.19 0.00 -2.33 0.00 0.00 43.42 41.47 1j4j n LEU 64 CO 0.13 0.12 1.01 0.11 -1.33 0.00 0.00 177.39 177.43 1j4j h LYS 65 N 0.00 0.41 -0.32 3.23 1.57 -1.60 -2.45 116.57 117.41 1j4j h LYS 65 Ca -0.17 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1j4j h LYS 65 Cb 1.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1j4j h LYS 65 CO 0.03 0.27 -0.07 0.00 -0.57 0.00 0.00 179.45 179.10 1j4j h ALA 66 N 1.56 0.43 0.00 3.86 0.00 -1.80 -1.03 119.26 122.29 1j4j h ALA 66 Ca 0.42 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1j4j h ALA 66 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1j4j h ALA 66 CO -0.42 0.26 -0.31 -0.44 0.00 0.00 0.00 179.25 178.34 1j4j h ASP 67 N 0.38 0.00 -0.18 0.00 3.32 -1.79 0.19 116.42 118.35 1j4j h ASP 67 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1j4j h ASP 67 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1j4j h ASP 67 CO 0.03 0.31 -0.26 0.40 -1.72 0.00 0.00 179.24 178.00 1j4j h ILE 68 N 0.00 1.34 -0.20 0.35 2.04 -1.33 -1.85 117.51 117.87 1j4j h ILE 68 Ca -0.00 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 1j4j h ILE 68 Cb 0.70 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1j4j h ILE 68 CO 0.04 0.45 -0.23 0.00 0.00 0.00 0.00 178.15 178.40 1j4j h ALA 69 N 0.60 1.22 0.00 1.87 0.00 -0.91 -2.70 119.26 119.34 1j4j h ALA 69 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j4j h ALA 69 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j4j h ALA 69 CO 0.06 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1j4j n ALA 70 N -2.48 2.23 -0.75 0.00 0.00 0.03 -4.92 120.51 114.61 1j4j n ALA 70 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1j4j n ALA 70 Cb 0.37 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1j4j n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j4j n GLY 71 N 1.23 0.81 0.13 0.00 0.00 -0.84 -4.92 105.19 101.60 1j4j n GLY 71 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1j4j n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j4j h SER 72 N 0.00 0.00 -3.20 1.61 4.64 -1.67 -3.45 113.55 111.48 1j4j h SER 72 Ca 0.00 -0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.62 1j4j h SER 72 Cb 0.00 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.74 1j4j h SER 72 CO 0.00 0.01 -0.85 -0.22 -0.87 0.00 0.00 176.83 174.90 1j4j s LEU 73 N -5.38 2.37 -0.08 5.97 2.96 -0.76 -1.23 118.68 122.52 1j4j s LEU 73 Ca 0.02 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1j4j s LEU 73 Cb 0.09 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1j4j s LEU 73 CO 0.76 -0.03 0.20 -0.76 -1.32 0.00 0.00 176.35 175.19 1j4j s LEU 74 N 1.26 4.40 -0.04 -0.68 1.02 0.05 -4.10 118.68 120.59 1j4j s LEU 74 Ca 0.03 0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.75 1j4j s LEU 74 Cb -0.14 -2.23 0.01 0.00 0.02 0.00 0.00 46.19 43.85 1j4j s LEU 74 CO -0.12 0.38 -0.06 -0.22 0.02 0.00 0.00 176.35 176.35 1j4j s LEU 75 N -1.13 1.53 0.23 1.79 2.96 -1.26 -1.30 118.68 121.50 1j4j s LEU 75 Ca 0.18 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1j4j s LEU 75 Cb -0.13 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.05 1j4j s LEU 75 CO 0.07 -0.01 -0.09 0.26 -1.32 0.00 0.00 176.35 175.26 1j4j s TRP 76 N 0.61 1.77 0.05 5.38 0.51 -0.14 -0.03 118.94 127.08 1j4j s TRP 76 Ca -0.08 -0.67 -0.09 0.00 -2.12 0.00 0.00 56.10 53.14 1j4j s TRP 76 Cb -0.12 -0.92 0.00 0.00 -0.81 0.00 0.00 33.47 31.62 1j4j s TRP 76 CO 0.00 0.27 0.19 0.14 -0.51 0.00 0.00 176.95 177.05 1j4j s VAL 77 N -3.05 0.11 -0.22 4.03 -7.23 -0.71 -2.13 120.40 111.20 1j4j s VAL 77 Ca 0.25 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.46 1j4j s VAL 77 Cb 0.02 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 1j4j s VAL 77 CO 0.09 -0.51 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.64 1j4j s VAL 78 N -2.72 3.45 0.07 1.32 1.01 -0.57 -1.31 120.40 121.65 1j4j s VAL 78 Ca -0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1j4j s VAL 78 Cb -0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1j4j s VAL 78 CO -0.05 0.41 0.14 0.00 0.00 0.00 0.00 175.10 175.61 1j4j s ALA 79 N 1.49 -0.09 -0.63 5.51 0.00 0.70 -0.54 121.76 128.20 1j4j s ALA 79 Ca 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1j4j s ALA 79 Cb -0.14 0.41 0.16 0.00 0.00 0.00 0.00 23.12 23.55 1j4j s ALA 79 CO -0.03 -0.46 0.44 -1.21 0.00 0.00 0.00 175.76 174.51 1j4j s GLU 80 N -3.68 2.56 6.48 0.00 2.02 0.24 -0.35 118.70 125.97 1j4j s GLU 80 Ca 0.04 -2.60 0.00 0.00 0.02 0.00 0.00 54.97 52.43 1j4j s GLU 80 Cb 0.05 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1j4j s GLU 80 CO -0.10 -1.18 0.00 -3.47 0.02 0.00 0.00 175.26 170.54 1j4j n ASP 81 N 3.36 0.00 -0.35 -0.19 2.03 -1.26 -1.03 116.55 119.12 1j4j n ASP 81 Ca 0.09 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.52 1j4j n ASP 81 Cb 0.37 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 41.13 1j4j n ASP 81 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1j4j n ASP 82 N 11.16 1.30 -4.57 1.67 5.75 -1.26 -4.80 116.55 125.80 1j4j n ASP 82 Ca 0.00 -1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 53.23 1j4j n ASP 82 Cb 0.00 0.14 -0.05 0.00 -1.03 0.00 0.00 41.12 40.18 1j4j n ASP 82 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1j4j s ASN 83 N -2.38 6.50 -0.36 -1.12 3.04 -0.19 -4.42 114.94 116.01 1j4j s ASN 83 Ca 0.27 0.18 -0.20 0.00 0.04 0.00 0.00 52.86 53.15 1j4j s ASN 83 Cb 0.19 -2.39 0.00 0.00 -1.54 0.00 0.00 41.25 37.52 1j4j s ASN 83 CO 0.48 -0.80 0.59 -0.69 -3.04 0.00 0.00 177.10 173.64 1j4j s VAL 84 N 3.17 4.93 -0.18 -5.21 1.01 -1.26 -0.59 120.40 122.27 1j4j s VAL 84 Ca 0.31 0.44 0.20 0.00 0.00 0.00 0.00 61.98 62.93 1j4j s VAL 84 Cb -0.13 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1j4j s VAL 84 CO 0.19 -0.30 0.92 0.18 0.00 0.00 0.00 175.10 176.09 1j4j n LEU 85 N 5.94 0.83 -3.67 3.92 4.77 0.29 -4.81 117.00 124.27 1j4j n LEU 85 Ca -0.03 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.24 1j4j n LEU 85 Cb 0.49 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1j4j n LEU 85 CO 0.48 -0.03 0.70 0.00 -1.33 0.00 0.00 177.39 177.21 1j4j s ALA 86 N -3.16 -1.70 0.16 -1.18 0.00 -1.16 -1.08 121.76 113.63 1j4j s ALA 86 Ca -0.02 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1j4j s ALA 86 Cb 0.09 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.83 1j4j s ALA 86 CO 0.80 -0.93 0.50 0.45 0.00 0.00 0.00 175.76 176.58 1j4j s SER 87 N -2.80 -0.33 -0.02 0.00 0.15 -1.26 -1.51 113.70 107.93 1j4j s SER 87 Ca 0.10 -0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 1j4j s SER 87 Cb -0.01 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1j4j s SER 87 CO -0.02 -0.96 0.43 0.00 1.20 0.00 0.00 173.24 173.90 1j4j s ALA 88 N -3.82 -1.12 0.09 5.45 0.00 -0.91 -4.18 121.76 117.28 1j4j s ALA 88 Ca 0.05 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1j4j s ALA 88 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1j4j s ALA 88 CO -0.09 -0.30 -0.11 -0.65 0.00 0.00 0.00 175.76 174.61 1j4j s GLN 89 N -1.33 0.81 -0.07 0.00 -0.21 -0.60 -0.96 119.66 117.29 1j4j s GLN 89 Ca -0.12 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.18 1j4j s GLN 89 Cb -0.03 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.42 1j4j s GLN 89 CO 0.06 0.10 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.11 1j4j s LEU 90 N -2.20 1.09 -0.44 2.90 2.96 -0.42 -1.89 118.68 120.67 1j4j s LEU 90 Ca 0.02 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.60 1j4j s LEU 90 Cb -0.05 -0.60 0.06 0.00 0.50 0.00 0.00 46.19 46.09 1j4j s LEU 90 CO 0.01 -0.11 0.35 -0.55 -1.32 0.00 0.00 176.35 174.73 1j4j s SER 91 N 1.45 6.06 -0.20 3.68 0.15 -0.16 -0.77 113.70 123.92 1j4j s SER 91 Ca -0.02 -1.21 -0.29 0.00 0.70 0.00 0.00 55.95 55.13 1j4j s SER 91 Cb -0.13 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1j4j s SER 91 CO -0.04 -0.57 1.29 -0.76 1.20 0.00 0.00 173.24 174.36 1j4j s LEU 92 N 1.63 4.10 0.30 3.45 1.43 -0.37 -0.54 118.68 128.68 1j4j s LEU 92 Ca 0.04 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.42 1j4j s LEU 92 Cb -0.22 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 1j4j s LEU 92 CO 0.07 -0.85 1.58 0.00 0.23 0.00 0.00 176.35 177.38 1j4j n GLN 94 N 2.08 1.22 -2.00 0.00 6.02 -1.26 -4.51 117.38 118.94 1j4j n GLN 94 Ca 0.08 -0.82 -0.40 0.00 -0.01 0.00 0.00 57.00 55.85 1j4j n GLN 94 Cb 0.38 -1.12 -0.00 0.00 1.02 0.00 0.00 30.24 30.52 1j4j n GLN 94 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1j4j s LYS 95 N -1.03 3.93 0.63 -1.09 1.02 -1.26 -4.88 119.74 117.06 1j4j s LYS 95 Ca 0.09 2.22 0.28 0.00 0.02 0.00 0.00 55.97 58.59 1j4j s LYS 95 Cb 0.08 -2.75 1.51 0.00 -0.52 0.00 0.00 37.83 36.14 1j4j s LYS 95 CO 0.17 -0.54 1.89 -1.35 -0.92 0.00 0.00 175.35 174.59 1j4j h PRO 96 N 2.64 0.00 -0.26 -1.68 0.11 -2.04 -0.41 132.00 130.36 1j4j h PRO 96 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j4j h PRO 96 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j4j h PRO 96 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1j4j n ASN 97 N -3.30 3.29 -0.29 -2.05 2.04 -1.26 -4.55 115.26 109.13 1j4j n ASN 97 Ca 0.03 -2.55 0.07 0.00 -0.44 0.00 0.00 54.58 51.69 1j4j n ASN 97 Cb 0.54 -0.38 0.10 0.00 -2.53 0.00 0.00 39.78 37.51 1j4j n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j4j n GLY 98 N -0.16 3.58 0.30 4.83 0.00 -0.16 -4.81 105.19 108.77 1j4j n GLY 98 Ca 0.16 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.53 1j4j n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4j h LEU 99 N 0.13 0.00 0.00 0.99 3.38 -1.79 -2.24 115.31 115.78 1j4j h LEU 99 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j4j h LEU 99 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j4j h LEU 99 CO 0.00 0.02 0.00 -3.20 0.09 0.00 0.00 178.44 175.35 1j4j n ASN 100 N -3.16 0.00 -4.48 -0.43 4.05 -1.26 -4.58 115.26 105.40 1j4j n ASN 100 Ca -0.01 0.34 -0.24 0.00 0.45 0.00 0.00 54.58 55.12 1j4j n ASN 100 Cb 0.19 -0.44 -0.10 0.00 1.23 0.00 0.00 39.78 40.66 1j4j n ASN 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j4j s ARG 101 N -2.88 1.68 -0.06 1.20 1.70 -0.84 -0.63 118.95 119.11 1j4j s ARG 101 Ca 0.16 -1.80 -0.21 0.00 -0.47 0.00 0.00 55.73 53.41 1j4j s ARG 101 Cb 0.17 -1.66 0.04 0.00 -0.57 0.00 0.00 34.95 32.93 1j4j s ARG 101 CO 0.44 0.25 0.47 0.00 -1.08 0.00 0.00 175.30 175.39 1j4j s ALA 102 N -2.60 -1.20 -0.23 7.88 0.00 -0.66 -2.54 121.76 122.41 1j4j s ALA 102 Ca 0.30 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 1j4j s ALA 102 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1j4j s ALA 102 CO 0.14 -0.29 0.00 -2.00 0.00 0.00 0.00 175.76 173.61 1j4j s GLU 103 N -0.99 3.50 0.21 0.00 2.12 0.30 -2.34 118.70 121.50 1j4j s GLU 103 Ca -0.10 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1j4j s GLU 103 Cb -0.03 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 1j4j s GLU 103 CO 0.06 -0.17 1.10 0.08 -0.54 0.00 0.00 175.26 175.78 1j4j s VAL 104 N 1.47 3.74 0.16 3.70 1.01 -0.34 -0.98 120.40 129.15 1j4j s VAL 104 Ca 0.05 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.41 1j4j s VAL 104 Cb -0.15 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1j4j s VAL 104 CO -0.00 0.31 0.54 0.00 0.00 0.00 0.00 175.10 175.95 1j4j s GLN 105 N -0.72 1.25 -1.49 2.72 -2.07 -0.79 -4.63 119.66 113.92 1j4j s GLN 105 Ca 0.48 -0.60 -0.09 0.00 -1.82 0.00 0.00 55.36 53.33 1j4j s GLN 105 Cb -0.30 0.55 0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1j4j s GLN 105 CO 0.37 -0.53 0.75 1.63 -1.32 0.00 0.00 175.29 176.18 1j4j n LYS 106 N -0.34 -4.37 -2.47 9.60 4.76 -1.26 -1.56 118.16 122.51 1j4j n LYS 106 Ca -0.15 0.51 -0.32 0.00 -2.87 0.00 0.00 58.31 55.48 1j4j n LYS 106 Cb 0.64 -5.11 -0.03 0.00 -1.84 0.00 0.00 35.03 28.68 1j4j n LYS 106 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1j4j s LEU 107 N -7.08 3.65 -0.30 -0.35 2.96 -1.26 -4.01 118.68 112.29 1j4j s LEU 107 Ca 0.39 1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 55.61 1j4j s LEU 107 Cb -0.20 -4.41 0.19 0.00 0.50 0.00 0.00 46.19 42.28 1j4j s LEU 107 CO 0.86 -0.56 1.20 -0.69 -1.32 0.00 0.00 176.35 175.84 1j4j s VAL 109 N -2.59 -0.05 0.24 1.68 1.01 -1.26 -4.97 120.40 114.46 1j4j s VAL 109 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1j4j s VAL 109 Cb -0.10 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.13 1j4j s VAL 109 CO 0.32 0.00 1.00 0.18 0.00 0.00 0.00 175.10 176.60 1j4j n LEU 110 N 3.61 1.34 -0.26 3.92 4.77 -0.24 -4.78 117.00 125.36 1j4j n LEU 110 Ca -0.15 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.06 1j4j n LEU 110 Cb 0.56 -1.22 0.19 0.00 -2.33 0.00 0.00 43.42 40.62 1j4j n LEU 110 CO 0.03 -1.56 0.96 -0.65 -1.33 0.00 0.00 177.39 174.84 1j4j h PRO 111 N 2.31 0.31 0.00 3.23 0.11 -1.91 -0.38 132.00 135.68 1j4j h PRO 111 Ca -0.39 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1j4j h PRO 111 Cb 1.35 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1j4j h PRO 111 CO 0.63 0.21 -0.05 0.66 -0.21 0.00 0.00 178.00 179.24 1j4j h SER 112 N 0.32 0.00 -0.43 -2.05 4.64 -1.98 -2.84 113.55 111.22 1j4j h SER 112 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1j4j h SER 112 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1j4j h SER 112 CO -0.48 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.53 1j4j n ALA 113 N -2.19 3.14 -1.91 5.18 0.00 -0.17 -5.00 120.51 119.56 1j4j n ALA 113 Ca -0.02 -1.93 -0.31 0.00 0.00 0.00 0.00 53.44 51.18 1j4j n ALA 113 Cb 0.19 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1j4j n ALA 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j4j s ARG 114 N -2.40 3.66 0.00 0.00 0.52 -1.07 -3.98 118.95 115.68 1j4j s ARG 114 Ca 0.45 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 1j4j s ARG 114 Cb 0.33 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1j4j s ARG 114 CO 0.15 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1j4j n GLY 115 N -2.45 0.43 1.00 -3.53 0.00 -1.26 -4.88 105.19 94.50 1j4j n GLY 115 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1j4j n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4j n ARG 116 N -2.27 2.82 -0.81 1.61 1.74 -1.26 -4.97 116.66 113.52 1j4j n ARG 116 Ca 0.00 -2.36 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 1j4j n ARG 116 Cb 0.08 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1j4j n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j4j n GLY 117 N 1.06 0.59 0.25 -0.13 0.00 -1.26 -4.95 105.19 100.75 1j4j n GLY 117 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1j4j n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4j h LEU 118 N 0.00 0.88 -0.69 0.99 3.38 -1.93 -1.81 115.31 116.13 1j4j h LEU 118 Ca 0.00 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1j4j h LEU 118 Cb 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1j4j h LEU 118 CO 0.00 1.18 0.41 1.23 0.09 0.00 0.00 178.44 181.34 1j4j h GLY 119 N 0.86 1.02 1.80 0.83 0.00 -1.93 -1.37 103.07 104.27 1j4j h GLY 119 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 1j4j h GLY 119 CO 0.09 0.20 -0.59 -0.09 0.00 0.00 0.00 176.54 176.15 1j4j h ARG 120 N 0.76 0.20 -0.15 4.80 2.43 -1.92 -2.82 114.38 117.68 1j4j h ARG 120 Ca 0.30 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1j4j h ARG 120 Cb 0.14 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1j4j h ARG 120 CO -0.16 0.74 -0.34 0.37 -1.51 0.00 0.00 179.97 179.06 1j4j h GLN 121 N 0.15 0.31 -0.86 0.20 4.15 -0.78 -1.72 115.11 116.55 1j4j h GLN 121 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1j4j h GLN 121 Cb 1.08 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1j4j h GLN 121 CO 0.09 0.62 0.00 1.28 -1.93 0.00 0.00 178.83 178.89 1j4j n LEU 122 N -4.08 0.87 0.00 -2.39 4.77 -0.57 -3.04 117.00 112.57 1j4j n LEU 122 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1j4j n LEU 122 Cb 0.44 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1j4j n LEU 122 CO 0.42 0.17 0.00 0.47 -1.33 0.00 0.00 177.39 177.12 1j4j n ASP 124 N 0.43 0.00 -0.04 -1.43 8.00 -0.65 -1.13 116.55 121.74 1j4j n ASP 124 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1j4j n ASP 124 Cb 0.17 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.16 1j4j n ASP 124 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1j4j h GLU 125 N 0.00 0.05 -0.51 -1.24 4.57 -1.81 -2.49 114.58 113.16 1j4j h GLU 125 Ca 0.00 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 1j4j h GLU 125 Cb 0.00 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 1j4j h GLU 125 CO 0.00 0.76 0.00 0.28 -1.18 0.00 0.00 179.01 178.88 1j4j h VAL 126 N -0.64 0.60 -0.44 0.32 2.07 -1.42 0.10 116.25 116.85 1j4j h VAL 126 Ca -0.01 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1j4j h VAL 126 Cb 0.78 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1j4j h VAL 126 CO 0.01 0.02 -0.08 -0.33 0.02 0.00 0.00 177.57 177.21 1j4j h GLU 127 N 0.12 0.77 -0.34 1.57 5.08 -1.82 0.11 114.58 120.06 1j4j h GLU 127 Ca 0.26 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1j4j h GLU 127 Cb 0.39 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1j4j h GLU 127 CO -0.42 0.84 -0.37 0.37 -1.00 0.00 0.00 179.01 178.42 1j4j h GLN 128 N 0.71 0.86 -0.26 2.33 5.75 -0.85 -1.85 115.11 121.79 1j4j h GLN 128 Ca 0.13 -0.46 -0.13 0.00 -0.15 0.00 0.00 58.65 58.03 1j4j h GLN 128 Cb 0.55 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1j4j h GLN 128 CO 0.03 1.10 -0.37 0.28 -2.65 0.00 0.00 178.83 177.23 1j4j h VAL 129 N 0.65 1.29 -0.26 2.39 2.07 -0.60 -0.53 116.25 121.26 1j4j h VAL 129 Ca 0.05 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.10 1j4j h VAL 129 Cb 0.96 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1j4j h VAL 129 CO 0.09 0.48 -0.02 0.00 0.02 0.00 0.00 177.57 178.15 1j4j h ALA 130 N 1.10 0.21 -0.96 1.67 0.00 -0.69 -0.21 119.26 120.39 1j4j h ALA 130 Ca 0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j4j h ALA 130 Cb 0.87 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1j4j h ALA 130 CO 0.07 -0.43 0.60 0.28 0.00 0.00 0.00 179.25 179.77 1j4j h VAL 131 N 0.06 1.26 0.00 0.00 2.07 -0.98 -0.05 116.25 118.61 1j4j h VAL 131 Ca 0.12 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1j4j h VAL 131 Cb 0.17 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1j4j h VAL 131 CO -0.22 0.27 0.00 0.29 0.02 0.00 0.00 177.57 177.92 1j4j n LYS 132 N -4.37 0.17 -0.34 1.57 4.76 -0.24 -1.71 118.16 118.00 1j4j n LYS 132 Ca 0.11 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.78 1j4j n LYS 132 Cb 0.04 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 31.94 1j4j n LYS 132 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1j4j n HIS 133 N -1.34 0.55 -3.94 2.13 8.25 -0.17 -4.99 115.22 115.72 1j4j n HIS 133 Ca 0.07 -1.03 -0.29 0.00 -0.26 0.00 0.00 57.72 56.21 1j4j n HIS 133 Cb 0.15 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.00 1j4j n HIS 133 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j4j n LYS 134 N -0.96 -4.85 -3.48 -0.41 5.02 -0.69 -4.94 118.16 107.85 1j4j n LYS 134 Ca 0.20 0.55 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 1j4j n LYS 134 Cb 0.80 -5.29 -0.08 0.00 -0.02 0.00 0.00 35.03 30.44 1j4j n LYS 134 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j4j s ARG 135 N -6.57 2.80 0.39 1.97 1.81 -0.42 -4.48 118.95 114.46 1j4j s ARG 135 Ca 0.51 -1.46 0.27 0.00 -1.72 0.00 0.00 55.73 53.34 1j4j s ARG 135 Cb -0.26 -4.00 0.95 0.00 -0.45 0.00 0.00 34.95 31.19 1j4j s ARG 135 CO 0.85 -1.04 1.80 0.78 -0.68 0.00 0.00 175.30 177.00 1j4j h GLY 136 N 8.61 0.00 -5.95 -3.53 0.00 -1.17 -3.39 103.07 97.64 1j4j h GLY 136 Ca -0.26 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.53 1j4j h GLY 136 CO 0.85 0.00 -0.82 -2.27 0.00 0.00 0.00 176.54 174.30 1j4j s LEU 137 N -5.47 1.64 -0.16 3.11 2.96 -0.25 -1.05 118.68 119.47 1j4j s LEU 137 Ca 0.05 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1j4j s LEU 137 Cb 0.09 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 1j4j s LEU 137 CO 0.54 0.02 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.70 1j4j s LEU 138 N 0.84 2.58 0.27 -0.68 1.43 -0.61 -1.65 118.68 120.86 1j4j s LEU 138 Ca -0.11 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1j4j s LEU 138 Cb -0.15 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1j4j s LEU 138 CO 0.01 0.09 0.02 -1.38 0.23 0.00 0.00 176.35 175.33 1j4j s HIS 139 N 0.80 1.75 0.02 0.29 -3.43 -0.99 -0.99 115.29 112.74 1j4j s HIS 139 Ca -0.05 -0.94 -0.29 0.00 -0.80 0.00 0.00 55.06 52.98 1j4j s HIS 139 Cb -0.15 -1.06 0.11 0.00 -1.43 0.00 0.00 32.58 30.04 1j4j s HIS 139 CO 0.00 -0.02 1.22 -0.48 -2.00 0.00 0.00 174.74 173.46 1j4j s LEU 140 N -3.39 -0.08 0.00 5.38 0.05 -0.76 -1.20 118.68 118.68 1j4j s LEU 140 Ca 0.33 -0.21 -0.05 0.00 0.05 0.00 0.00 54.13 54.25 1j4j s LEU 140 Cb 0.07 1.55 -0.01 0.00 -2.05 0.00 0.00 46.19 45.75 1j4j s LEU 140 CO 0.12 -0.44 0.08 1.51 -0.55 0.00 0.00 176.35 177.07 1j4j s ASP 141 N -3.03 0.09 -0.03 1.48 -4.77 -1.26 -1.14 116.67 108.00 1j4j s ASP 141 Ca 0.15 -0.27 -0.26 0.00 -3.30 0.00 0.00 52.55 48.87 1j4j s ASP 141 Cb 0.03 0.17 0.06 0.00 -1.09 0.00 0.00 42.92 42.09 1j4j s ASP 141 CO -0.02 -0.32 0.58 0.28 0.70 0.00 0.00 175.17 176.39 1j4j s THR 142 N -1.28 0.02 -0.06 2.11 -1.32 -0.71 -4.92 115.64 109.47 1j4j s THR 142 Ca -0.14 -0.13 -0.40 0.00 -1.21 0.00 0.00 61.69 59.81 1j4j s THR 142 Cb -0.08 -0.91 -0.19 0.00 -1.51 0.00 0.00 72.50 69.81 1j4j s THR 142 CO 0.01 -0.07 1.21 1.21 -2.21 0.00 0.00 174.62 174.77 1j4j n GLU 143 N 0.94 0.25 -2.36 7.08 2.13 -1.26 -0.37 120.64 127.05 1j4j n GLU 143 Ca -0.20 0.09 -0.41 0.00 0.66 0.00 0.00 57.16 57.31 1j4j n GLU 143 Cb 0.57 -1.62 -0.03 0.00 0.27 0.00 0.00 31.44 30.62 1j4j n GLU 143 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j4j s ALA 144 N 0.61 3.44 0.00 4.31 0.00 -0.68 -2.78 121.76 126.66 1j4j s ALA 144 Ca 0.92 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1j4j s ALA 144 Cb -1.23 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1j4j s ALA 144 CO 0.59 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1j4j n GLY 145 N 1.77 1.17 3.90 0.00 0.00 -1.26 -4.89 105.19 105.88 1j4j n GLY 145 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1j4j n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j4j s SER 146 N -3.10 5.83 0.41 1.61 1.04 -1.12 -4.94 113.70 113.43 1j4j s SER 146 Ca 0.00 0.92 0.15 0.00 0.48 0.00 0.00 55.95 57.50 1j4j s SER 146 Cb 0.00 -1.98 1.00 0.00 0.10 0.00 0.00 66.02 65.14 1j4j s SER 146 CO 0.00 -0.95 1.89 0.58 0.98 0.00 0.00 173.24 175.74 1j4j h VAL 147 N -0.16 0.78 -0.31 5.02 2.07 -1.96 0.06 116.25 121.75 1j4j h VAL 147 Ca -0.46 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1j4j h VAL 147 Cb 1.23 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1j4j h VAL 147 CO 0.62 0.09 0.24 0.00 0.02 0.00 0.00 177.57 178.53 1j4j h ALA 148 N 1.63 2.22 0.09 1.67 0.00 -1.92 -1.67 119.26 121.29 1j4j h ALA 148 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1j4j h ALA 148 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1j4j h ALA 148 CO -0.15 -0.40 -0.04 0.93 0.00 0.00 0.00 179.25 179.58 1j4j h GLU 149 N 0.00 -0.12 -0.01 0.00 5.08 -1.22 -1.69 114.58 116.62 1j4j h GLU 149 Ca 0.15 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1j4j h GLU 149 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1j4j h GLU 149 CO -0.00 0.22 -0.16 0.00 -1.00 0.00 0.00 179.01 178.07 1j4j h ALA 150 N 0.38 1.71 0.79 3.43 0.00 -1.50 -1.51 119.26 122.56 1j4j h ALA 150 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j4j h ALA 150 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j4j h ALA 150 CO 0.02 0.22 -0.38 0.35 0.00 0.00 0.00 179.25 179.46 1j4j h PHE 151 N 0.02 -0.98 -0.63 0.00 3.57 -1.12 -1.19 116.94 116.60 1j4j h PHE 151 Ca 0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1j4j h PHE 151 Cb 0.30 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1j4j h PHE 151 CO 0.00 -0.60 0.41 1.88 -2.23 0.00 0.00 178.31 177.78 1j4j h TYR 152 N -1.23 0.75 -0.77 0.41 -1.99 -1.19 -1.22 116.97 111.73 1j4j h TYR 152 Ca -0.11 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.59 1j4j h TYR 152 Cb 0.82 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 1j4j h TYR 152 CO -0.00 0.45 0.30 1.03 -0.00 0.00 0.00 178.16 179.94 1j4j h SER 153 N 0.79 1.07 0.74 3.88 0.87 -1.23 -0.71 113.55 118.97 1j4j h SER 153 Ca 0.24 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1j4j h SER 153 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1j4j h SER 153 CO -0.06 0.96 -0.22 0.00 -0.53 0.00 0.00 176.83 176.98 1j4j h ALA 154 N 1.19 1.09 -0.36 6.23 0.00 -0.08 -0.88 119.26 126.46 1j4j h ALA 154 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j4j h ALA 154 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1j4j h ALA 154 CO -0.02 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1j4j n LEU 155 N -3.49 2.31 -3.18 0.00 4.32 -0.65 -4.93 117.00 111.38 1j4j n LEU 155 Ca -0.01 -1.16 -0.20 0.00 -0.02 0.00 0.00 56.01 54.62 1j4j n LEU 155 Cb 0.39 -0.33 0.07 0.00 -1.62 0.00 0.00 43.42 41.93 1j4j n LEU 155 CO 0.33 0.49 0.20 0.00 -1.22 0.00 0.00 177.39 177.18 1j4j n ALA 156 N 0.53 -1.25 -2.58 -1.18 0.00 -0.33 -5.00 120.51 110.70 1j4j n ALA 156 Ca 0.13 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 1j4j n ALA 156 Cb 0.41 -4.42 -0.05 0.00 0.00 0.00 0.00 19.45 15.39 1j4j n ALA 156 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j4j s TYR 157 N -3.28 3.57 -0.12 0.00 1.51 -0.35 -4.90 117.35 113.78 1j4j s TYR 157 Ca 0.42 0.78 -0.15 0.00 -1.01 0.00 0.00 57.07 57.11 1j4j s TYR 157 Cb -0.19 -2.15 -0.05 0.00 -0.11 0.00 0.00 41.96 39.46 1j4j s TYR 157 CO 0.63 0.51 0.36 0.99 -1.11 0.00 0.00 175.55 176.93 1j4j s THR 158 N -1.43 5.23 -0.25 -0.71 2.01 0.31 -4.49 115.64 116.32 1j4j s THR 158 Ca 0.34 0.69 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 1j4j s THR 158 Cb -0.14 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1j4j s THR 158 CO 0.19 0.42 1.00 -0.60 -0.69 0.00 0.00 174.62 174.94 1j4j s ARG 159 N 0.16 4.21 0.03 4.92 3.52 -1.26 -1.09 118.95 129.43 1j4j s ARG 159 Ca 0.20 1.22 -0.02 0.00 -0.13 0.00 0.00 55.73 57.00 1j4j s ARG 159 Cb -0.14 -3.66 -0.27 0.00 -1.56 0.00 0.00 34.95 29.32 1j4j s ARG 159 CO 0.07 -0.66 0.95 0.28 -0.81 0.00 0.00 175.30 175.13 1j4j h VAL 160 N 5.50 1.26 0.00 7.11 2.07 -0.34 -3.49 116.25 128.36 1j4j h VAL 160 Ca -0.20 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1j4j h VAL 160 Cb 1.07 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1j4j h VAL 160 CO 0.97 0.83 0.00 0.61 0.02 0.00 0.00 177.57 180.00 1j4j n GLY 161 N 1.61 0.99 3.67 2.17 0.00 -1.24 -4.98 105.19 107.41 1j4j n GLY 161 Ca -0.13 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 1j4j n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j4j s GLU 162 N -1.53 2.34 -0.23 1.61 2.02 -1.26 -0.69 118.70 120.95 1j4j s GLU 162 Ca 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.57 1j4j s GLU 162 Cb 0.00 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 32.09 1j4j s GLU 162 CO 0.00 0.32 -0.12 -0.51 0.02 0.00 0.00 175.26 174.96 1j4j s LEU 163 N -3.71 2.99 0.40 1.80 1.43 -0.25 -4.97 118.68 116.37 1j4j s LEU 163 Ca 0.33 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 1j4j s LEU 163 Cb -0.06 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 1j4j s LEU 163 CO 0.21 -0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.65 1j4j s PRO 164 N 1.22 4.07 -1.44 1.29 0.04 -1.26 -1.59 135.00 137.33 1j4j s PRO 164 Ca -0.02 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1j4j s PRO 164 Cb -0.17 -2.65 0.05 0.00 0.04 0.00 0.00 34.50 31.77 1j4j s PRO 164 CO -0.07 -0.28 1.04 0.41 0.04 0.00 0.00 177.00 178.14 1j4j n GLY 165 N 0.58 -0.49 0.17 0.56 0.00 -1.23 -4.90 105.19 99.88 1j4j n GLY 165 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 1j4j n GLY 165 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1j4j h TYR 166 N -2.30 0.72 -2.86 1.61 3.20 -1.34 -3.46 116.97 112.54 1j4j h TYR 166 Ca -0.58 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 60.99 1j4j h TYR 166 Cb 1.37 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.48 1j4j h TYR 166 CO 0.53 1.19 0.28 0.00 -1.64 0.00 0.00 178.16 178.52 1j4j s ALA 168 N -3.74 3.99 0.86 0.00 0.00 -1.26 -1.04 121.76 120.57 1j4j s ALA 168 Ca 0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1j4j s ALA 168 Cb -0.04 -1.84 0.11 0.00 0.00 0.00 0.00 23.12 21.35 1j4j s ALA 168 CO 0.01 0.77 1.11 0.95 0.00 0.00 0.00 175.76 178.61 1j4j s THR 169 N -1.56 2.53 0.64 0.00 -4.23 -0.04 -4.87 115.64 108.12 1j4j s THR 169 Ca 0.35 0.17 0.34 0.00 -1.18 0.00 0.00 61.69 61.38 1j4j s THR 169 Cb -0.13 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.16 1j4j s THR 169 CO 0.28 -0.23 2.05 -0.65 -0.54 0.00 0.00 174.62 175.53 1j4j h PRO 170 N -1.32 0.00 -0.31 3.99 0.11 -1.81 -0.81 132.00 131.85 1j4j h PRO 170 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j4j h PRO 170 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1j4j h PRO 170 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1j4j n ASP 171 N -2.92 3.14 0.00 -2.05 5.75 -1.26 -0.70 116.55 118.51 1j4j n ASP 171 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1j4j n ASP 171 Cb 0.27 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1j4j n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j4j n GLY 172 N 1.44 2.48 3.68 6.12 0.00 -0.31 -5.04 105.19 113.56 1j4j n GLY 172 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1j4j n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4j s ARG 173 N -0.26 4.25 0.16 1.61 0.52 -1.26 -4.66 118.95 119.30 1j4j s ARG 173 Ca 0.00 2.06 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 1j4j s ARG 173 Cb 0.00 -3.65 -0.07 0.00 0.52 0.00 0.00 34.95 31.74 1j4j s ARG 173 CO 0.00 -0.66 1.19 -0.51 0.02 0.00 0.00 175.30 175.34 1j4j s LEU 174 N 2.76 4.44 0.10 2.53 1.43 -1.26 -0.86 118.68 127.81 1j4j s LEU 174 Ca 0.67 2.17 -0.04 0.00 -1.03 0.00 0.00 54.13 55.90 1j4j s LEU 174 Cb -0.33 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 1j4j s LEU 174 CO 0.28 -0.38 0.09 -1.38 0.23 0.00 0.00 176.35 175.18 1j4j s HIS 175 N 0.19 0.52 0.58 0.29 -3.43 -0.20 -4.84 115.29 108.39 1j4j s HIS 175 Ca 0.54 -0.96 -0.08 0.00 -0.80 0.00 0.00 55.06 53.76 1j4j s HIS 175 Cb -0.32 -0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 30.52 1j4j s HIS 175 CO 0.35 -0.51 0.92 -2.14 -2.00 0.00 0.00 174.74 171.36 1j4j s PRO 176 N -3.95 3.30 0.22 -0.38 0.02 -1.26 -1.46 135.00 131.49 1j4j s PRO 176 Ca 0.13 0.32 0.09 0.00 0.02 0.00 0.00 61.00 61.56 1j4j s PRO 176 Cb 0.06 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1j4j s PRO 176 CO -0.05 -0.54 -0.05 -0.08 -0.33 0.00 0.00 177.00 175.94 1j4j s THR 177 N -3.00 3.31 -0.12 0.99 -1.32 -0.62 -1.69 115.64 113.20 1j4j s THR 177 Ca 0.52 -1.78 0.01 0.00 -1.21 0.00 0.00 61.69 59.23 1j4j s THR 177 Cb -0.11 -2.71 -0.01 0.00 -1.51 0.00 0.00 72.50 68.17 1j4j s THR 177 CO 0.48 -0.24 -0.17 0.00 -2.21 0.00 0.00 174.62 172.48 1j4j s ALA 178 N -2.01 2.47 -0.07 11.08 0.00 0.50 -1.09 121.76 132.64 1j4j s ALA 178 Ca 0.28 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1j4j s ALA 178 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1j4j s ALA 178 CO 0.17 0.28 0.59 0.42 0.00 0.00 0.00 175.76 177.22 1j4j s ILE 179 N 0.30 5.07 0.16 0.00 -1.09 0.13 -1.74 121.20 124.04 1j4j s ILE 179 Ca -0.13 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.56 1j4j s ILE 179 Cb -0.16 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1j4j s ILE 179 CO 0.07 0.32 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.66 1j4j s TYR 180 N 0.52 1.40 0.20 3.97 1.51 -0.30 0.47 117.35 125.12 1j4j s TYR 180 Ca 0.32 -0.69 -0.12 0.00 -1.01 0.00 0.00 57.07 55.56 1j4j s TYR 180 Cb -0.17 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1j4j s TYR 180 CO 0.15 0.16 0.41 -0.59 -1.11 0.00 0.00 175.55 174.57 1j4j s PHE 181 N -3.13 0.27 -0.09 2.71 -0.12 -0.25 -1.84 117.98 115.53 1j4j s PHE 181 Ca 0.18 -0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1j4j s PHE 181 Cb 0.01 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1j4j s PHE 181 CO 0.02 -0.87 0.21 0.21 -0.05 0.00 0.00 175.22 174.75 1j4j s LYS 182 N -3.96 0.16 -0.33 1.99 2.20 -0.16 -0.53 119.74 119.10 1j4j s LYS 182 Ca 0.17 0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 56.12 1j4j s LYS 182 Cb 0.01 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1j4j s LYS 182 CO 0.03 -0.18 0.43 0.99 -0.36 0.00 0.00 175.35 176.25 1j4j s THR 183 N 1.38 5.11 -2.54 3.43 2.01 -1.26 -1.58 115.64 122.18 1j4j s THR 183 Ca -0.08 0.30 0.28 0.00 0.31 0.00 0.00 61.69 62.50 1j4j s THR 183 Cb -0.11 -3.85 0.52 0.00 0.01 0.00 0.00 72.50 69.07 1j4j s THR 183 CO -0.08 -0.08 1.70 0.18 -0.69 0.00 0.00 174.62 175.65