#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4j n GLU 2 N 0.00 0.00 -4.10 2.12 4.71 -1.20 -4.78 120.64 117.38 1i4j n GLU 2 Ca 0.00 0.39 -0.33 0.00 -0.01 0.00 0.00 57.16 57.21 1i4j n GLU 2 Cb 0.00 -1.18 -0.16 0.00 -1.01 0.00 0.00 31.44 29.09 1i4j n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i4j s ALA 3 N -2.97 2.27 0.01 0.62 0.00 -0.42 -4.97 121.76 116.30 1i4j s ALA 3 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1i4j s ALA 3 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1i4j s ALA 3 CO 0.00 -0.38 -0.26 0.21 0.00 0.00 0.00 175.76 175.33 1i4j s LYS 4 N 1.31 1.92 0.04 0.00 2.20 -1.26 -0.15 119.74 123.80 1i4j s LYS 4 Ca 0.05 -1.01 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 1i4j s LYS 4 Cb -0.13 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1i4j s LYS 4 CO -0.12 0.53 -0.06 0.00 -0.36 0.00 0.00 175.35 175.33 1i4j s ALA 5 N -0.70 0.49 0.02 3.13 0.00 -0.68 -4.87 121.76 119.14 1i4j s ALA 5 Ca 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1i4j s ALA 5 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1i4j s ALA 5 CO 0.00 -0.08 -0.05 0.42 0.00 0.00 0.00 175.76 176.06 1i4j s ILE 6 N -1.61 0.34 -0.15 0.00 1.01 -1.26 -1.79 121.20 117.74 1i4j s ILE 6 Ca -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1i4j s ILE 6 Cb -0.09 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.03 1i4j s ILE 6 CO -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 174.94 174.55 1i4j s ALA 7 N -0.80 2.13 0.20 9.38 0.00 0.10 -4.97 121.76 127.81 1i4j s ALA 7 Ca -0.06 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1i4j s ALA 7 Cb -0.06 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1i4j s ALA 7 CO -0.00 -0.17 0.09 1.03 0.00 0.00 0.00 175.76 176.71 1i4j s ARG 8 N 1.05 2.67 -1.38 0.00 0.52 -1.26 -0.17 118.95 120.38 1i4j s ARG 8 Ca -0.02 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 1i4j s ARG 8 Cb -0.14 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.88 1i4j s ARG 8 CO -0.06 0.44 0.96 0.66 0.02 0.00 0.00 175.30 177.32 1i4j n TYR 9 N -0.54 -2.33 -2.71 -0.53 4.01 -1.15 -4.96 117.16 108.96 1i4j n TYR 9 Ca -0.08 0.92 -0.42 0.00 -0.16 0.00 0.00 57.90 58.15 1i4j n TYR 9 Cb 0.56 -4.52 -0.03 0.00 -0.31 0.00 0.00 39.34 35.05 1i4j n TYR 9 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1i4j s VAL 10 N -3.41 4.78 -0.34 -0.72 1.01 0.09 -4.83 120.40 116.97 1i4j s VAL 10 Ca 0.37 1.99 -0.06 0.00 0.00 0.00 0.00 61.98 64.28 1i4j s VAL 10 Cb -0.18 -4.29 -0.21 0.00 0.00 0.00 0.00 36.38 31.70 1i4j s VAL 10 CO 0.79 -0.02 3.27 0.54 0.00 0.00 0.00 175.10 179.68 1i4j n ARG 11 N 5.21 2.21 -4.22 2.72 1.74 -1.26 -1.22 116.66 121.84 1i4j n ARG 11 Ca 0.09 -1.19 -0.17 0.00 -0.77 0.00 0.00 57.85 55.81 1i4j n ARG 11 Cb 0.48 -2.14 -0.14 0.00 -1.02 0.00 0.00 32.46 29.64 1i4j n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1i4j s ILE 12 N 1.42 0.54 0.22 0.55 1.01 -1.26 -5.02 121.20 118.66 1i4j s ILE 12 Ca 0.63 -0.37 -0.32 0.00 0.00 0.00 0.00 60.65 60.59 1i4j s ILE 12 Cb 0.27 -0.47 -0.12 0.00 0.01 0.00 0.00 42.46 42.14 1i4j s ILE 12 CO -0.01 0.10 1.65 -0.24 0.00 0.00 0.00 174.94 176.43 1i4j n SER 13 N 2.76 3.71 -0.29 3.58 2.88 -1.25 -3.58 113.62 121.43 1i4j n SER 13 Ca -0.14 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.61 1i4j n SER 13 Cb 0.57 -1.54 0.28 0.00 -0.75 0.00 0.00 64.21 62.77 1i4j n SER 13 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i4j h PRO 14 N 5.99 0.36 -0.99 -1.46 0.11 -1.79 0.26 132.00 134.48 1i4j h PRO 14 Ca -0.44 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1i4j h PRO 14 Cb 1.22 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1i4j h PRO 14 CO 0.89 0.24 0.63 -0.09 -0.21 0.00 0.00 178.00 179.47 1i4j h ARG 15 N 0.38 1.11 -0.17 1.05 1.12 -1.96 0.46 114.38 116.37 1i4j h ARG 15 Ca 0.53 -0.07 -0.12 0.00 -1.11 0.00 0.00 59.98 59.21 1i4j h ARG 15 Cb 0.98 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 1i4j h ARG 15 CO -0.53 0.74 -0.37 0.87 -3.11 0.00 0.00 179.97 177.57 1i4j h LYS 16 N 1.14 0.55 0.00 0.20 1.57 -1.34 -3.22 116.57 115.48 1i4j h LYS 16 Ca 0.43 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1i4j h LYS 16 Cb 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1i4j h LYS 16 CO -0.18 0.98 -0.36 0.28 -0.57 0.00 0.00 179.45 179.60 1i4j h VAL 17 N 0.20 1.15 -0.28 0.50 2.07 -0.95 -2.85 116.25 116.08 1i4j h VAL 17 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1i4j h VAL 17 Cb 0.98 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1i4j h VAL 17 CO 0.08 0.35 0.07 0.03 0.02 0.00 0.00 177.57 178.13 1i4j h ARG 18 N 0.00 0.40 0.00 1.57 3.08 -0.92 -1.01 114.38 117.50 1i4j h ARG 18 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1i4j h ARG 18 Cb 0.68 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1i4j h ARG 18 CO 0.05 0.37 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.11 1i4j h LEU 19 N 0.40 0.00 0.04 3.04 3.38 -1.55 -1.98 115.31 118.64 1i4j h LEU 19 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1i4j h LEU 19 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1i4j h LEU 19 CO -0.00 0.14 -0.67 0.58 0.09 0.00 0.00 178.44 178.58 1i4j h VAL 20 N 0.00 1.41 0.00 1.22 2.07 -1.31 -3.35 116.25 116.30 1i4j h VAL 20 Ca -0.00 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 1i4j h VAL 20 Cb 0.35 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1i4j h VAL 20 CO 0.02 0.57 -0.18 -0.37 0.02 0.00 0.00 177.57 177.63 1i4j h VAL 21 N -0.78 1.02 0.00 2.57 -1.51 -1.29 -1.58 116.25 114.68 1i4j h VAL 21 Ca -0.16 -0.64 -0.02 0.00 -1.23 0.00 0.00 66.70 64.66 1i4j h VAL 21 Cb 1.31 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1i4j h VAL 21 CO -0.01 0.18 -0.08 0.44 -1.23 0.00 0.00 177.57 176.86 1i4j h ASP 22 N 0.00 0.00 0.36 4.19 3.32 -1.50 -2.68 116.42 120.11 1i4j h ASP 22 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1i4j h ASP 22 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1i4j h ASP 22 CO 0.02 0.08 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.07 1i4j h LEU 23 N 0.00 0.16 0.00 1.55 3.38 -1.41 -3.31 115.31 115.68 1i4j h LEU 23 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1i4j h LEU 23 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1i4j h LEU 23 CO 0.01 0.62 -0.97 2.30 0.09 0.00 0.00 178.44 180.49 1i4j n ILE 24 N -3.96 0.00 -1.68 1.22 -5.35 -1.04 -4.90 119.36 103.65 1i4j n ILE 24 Ca -0.02 -0.06 -0.45 0.00 -0.27 0.00 0.00 62.75 61.95 1i4j n ILE 24 Cb 0.52 0.95 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 1i4j n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1i4j n ARG 25 N -1.50 2.27 -0.25 6.28 0.63 -1.06 -1.63 116.66 121.40 1i4j n ARG 25 Ca 0.03 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1i4j n ARG 25 Cb 0.32 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1i4j n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i4j n GLY 26 N 3.17 2.49 3.89 5.14 0.00 0.63 -5.00 105.19 115.50 1i4j n GLY 26 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1i4j n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4j s LYS 27 N -0.00 3.60 0.79 1.61 -0.14 -0.64 -4.67 119.74 120.29 1i4j s LYS 27 Ca 0.00 0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.89 1i4j s LYS 27 Cb 0.00 -2.30 0.07 0.00 -1.68 0.00 0.00 37.83 33.92 1i4j s LYS 27 CO 0.00 -0.27 1.11 -1.54 -0.76 0.00 0.00 175.35 173.89 1i4j s SER 28 N -3.95 4.24 0.21 2.83 1.04 -1.26 -0.64 113.70 116.17 1i4j s SER 28 Ca 0.50 1.91 -0.10 0.00 0.48 0.00 0.00 55.95 58.75 1i4j s SER 28 Cb -0.10 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.67 1i4j s SER 28 CO 0.45 -2.22 1.87 0.25 0.98 0.00 0.00 173.24 174.57 1i4j h LEU 29 N -1.18 0.81 -0.78 2.42 5.85 -1.52 -1.12 115.31 119.80 1i4j h LEU 29 Ca -0.44 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1i4j h LEU 29 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1i4j h LEU 29 CO 0.50 0.58 0.15 -0.33 -0.34 0.00 0.00 178.44 178.99 1i4j h GLU 30 N 0.96 1.07 -0.17 1.25 5.08 -1.88 -1.90 114.58 118.99 1i4j h GLU 30 Ca 0.29 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1i4j h GLU 30 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1i4j h GLU 30 CO -0.09 0.96 -0.57 1.49 -1.00 0.00 0.00 179.01 179.80 1i4j h GLU 31 N 1.01 0.54 -0.68 2.33 4.81 -1.85 -2.82 114.58 117.93 1i4j h GLU 31 Ca 0.21 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1i4j h GLU 31 Cb 0.38 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1i4j h GLU 31 CO 0.00 0.96 0.24 0.00 -0.73 0.00 0.00 179.01 179.49 1i4j h ALA 32 N 0.97 1.15 -0.56 2.92 0.00 -0.94 -0.46 119.26 122.34 1i4j h ALA 32 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i4j h ALA 32 Cb 1.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1i4j h ALA 32 CO 0.11 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.32 1i4j h ARG 33 N 0.99 0.74 -0.32 0.00 3.08 -1.13 -1.59 114.38 116.14 1i4j h ARG 33 Ca 0.22 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 1i4j h ARG 33 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1i4j h ARG 33 CO -0.01 0.50 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.17 1i4j h ASN 34 N 0.75 0.70 -0.45 7.04 2.35 -1.23 -2.10 115.58 122.64 1i4j h ASN 34 Ca 0.20 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1i4j h ASN 34 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1i4j h ASN 34 CO -0.04 0.96 0.26 0.40 -1.65 0.00 0.00 177.43 177.36 1i4j h ILE 35 N 0.57 1.16 -0.09 2.81 2.04 -0.72 -2.15 117.51 121.13 1i4j h ILE 35 Ca 0.07 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1i4j h ILE 35 Cb 0.81 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1i4j h ILE 35 CO 0.07 0.16 -0.38 -0.07 0.00 0.00 0.00 178.15 177.93 1i4j h LEU 36 N 0.60 0.20 -0.64 1.44 3.38 -1.16 -0.92 115.31 118.21 1i4j h LEU 36 Ca 0.16 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1i4j h LEU 36 Cb 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1i4j h LEU 36 CO -0.03 0.57 -0.29 -0.09 0.09 0.00 0.00 178.44 178.70 1i4j h ARG 37 N 0.17 0.75 -0.01 1.13 2.43 -1.08 -3.20 114.38 114.57 1i4j h ARG 37 Ca 0.02 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1i4j h ARG 37 Cb 0.76 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1i4j h ARG 37 CO 0.06 0.95 -0.53 0.66 -1.51 0.00 0.00 179.97 179.60 1i4j n TYR 38 N -4.08 0.00 -2.85 2.20 4.01 -0.84 -4.90 117.16 110.70 1i4j n TYR 38 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 1i4j n TYR 38 Cb 0.47 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1i4j n TYR 38 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1i4j s THR 39 N -2.74 4.34 -0.67 -0.72 -1.32 -0.37 -4.96 115.64 109.21 1i4j s THR 39 Ca 0.16 1.91 0.02 0.00 -1.21 0.00 0.00 61.69 62.57 1i4j s THR 39 Cb 0.18 -4.24 0.38 0.00 -1.51 0.00 0.00 72.50 67.30 1i4j s THR 39 CO 0.65 0.45 1.53 0.59 -2.21 0.00 0.00 174.62 175.63 1i4j n ASN 40 N 1.97 6.05 -4.44 8.08 3.02 -1.26 -4.97 115.26 123.71 1i4j n ASN 40 Ca -0.02 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.45 1i4j n ASN 40 Cb 0.48 -0.77 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 1i4j n ASN 40 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i4j s LYS 41 N -3.82 2.13 0.33 3.52 1.02 -1.26 -5.10 119.74 116.57 1i4j s LYS 41 Ca 0.49 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 1i4j s LYS 41 Cb 0.39 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 1i4j s LYS 41 CO -0.27 0.56 1.35 1.03 -0.92 0.00 0.00 175.35 177.09 1i4j s ARG 42 N -1.20 4.31 0.00 1.68 0.52 -1.26 -2.63 118.95 120.37 1i4j s ARG 42 Ca 0.13 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 1i4j s ARG 42 Cb -0.10 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1i4j s ARG 42 CO 0.03 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.50 1i4j n GLY 43 N 0.93 2.01 0.35 -3.53 0.00 -1.26 -4.63 105.19 99.05 1i4j n GLY 43 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1i4j n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4j h ALA 44 N 0.00 1.43 -0.61 4.61 0.00 -1.88 -1.81 119.26 121.00 1i4j h ALA 44 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1i4j h ALA 44 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1i4j h ALA 44 CO 0.00 0.18 0.32 -0.92 0.00 0.00 0.00 179.25 178.83 1i4j h TYR 45 N 0.93 0.84 -0.21 0.00 3.20 -1.91 -0.46 116.97 119.35 1i4j h TYR 45 Ca 0.47 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.18 1i4j h TYR 45 Cb 0.47 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1i4j h TYR 45 CO -0.02 0.62 -0.46 0.74 -1.64 0.00 0.00 178.16 177.40 1i4j h PHE 46 N 0.82 0.66 -0.52 -3.82 0.04 -1.83 -1.54 116.94 110.76 1i4j h PHE 46 Ca 0.21 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1i4j h PHE 46 Cb 0.06 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1i4j h PHE 46 CO -0.01 0.90 -0.10 0.28 -0.60 0.00 0.00 178.31 178.79 1i4j h VAL 47 N 0.44 1.27 -0.79 -0.55 2.07 -1.16 -2.26 116.25 115.26 1i4j h VAL 47 Ca 0.03 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1i4j h VAL 47 Cb 0.97 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1i4j h VAL 47 CO 0.09 0.43 0.39 0.00 0.02 0.00 0.00 177.57 178.50 1i4j h ALA 48 N 0.91 1.20 -0.43 1.67 0.00 -0.85 -0.71 119.26 121.04 1i4j h ALA 48 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1i4j h ALA 48 Cb 0.66 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i4j h ALA 48 CO 0.05 0.62 0.07 -0.22 0.00 0.00 0.00 179.25 179.77 1i4j h LYS 49 N 1.12 0.72 -0.66 0.00 3.64 -1.00 -0.77 116.57 119.63 1i4j h LYS 49 Ca 0.27 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1i4j h LYS 49 Cb 0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1i4j h LYS 49 CO -0.04 0.75 0.09 0.28 -2.27 0.00 0.00 179.45 178.26 1i4j h VAL 50 N 0.58 1.26 -0.77 2.00 2.07 -1.08 -1.51 116.25 118.80 1i4j h VAL 50 Ca 0.13 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1i4j h VAL 50 Cb 0.38 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1i4j h VAL 50 CO 0.01 0.40 0.37 0.25 0.02 0.00 0.00 177.57 178.62 1i4j h LEU 51 N 1.02 1.00 -0.86 2.57 5.85 -0.87 -1.09 115.31 122.94 1i4j h LEU 51 Ca 0.20 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1i4j h LEU 51 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1i4j h LEU 51 CO 0.02 0.85 -0.55 -0.33 -0.34 0.00 0.00 178.44 178.08 1i4j h GLU 52 N 1.08 0.05 -0.37 1.25 4.39 -1.00 -0.04 114.58 119.94 1i4j h GLU 52 Ca 0.26 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.79 1i4j h GLU 52 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1i4j h GLU 52 CO -0.03 0.59 -0.32 1.03 -1.16 0.00 0.00 179.01 179.11 1i4j h SER 53 N 0.04 0.92 -0.57 1.42 0.87 -0.65 -0.81 113.55 114.76 1i4j h SER 53 Ca -0.00 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 1i4j h SER 53 Cb 0.99 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1i4j h SER 53 CO 0.07 1.18 0.10 0.00 -0.53 0.00 0.00 176.83 177.65 1i4j h ALA 54 N 0.76 0.76 -0.43 6.23 0.00 -1.04 -1.82 119.26 123.72 1i4j h ALA 54 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1i4j h ALA 54 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i4j h ALA 54 CO 0.08 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.99 1i4j h ALA 55 N 1.01 0.56 -0.75 0.00 0.00 -0.84 -0.64 119.26 118.60 1i4j h ALA 55 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i4j h ALA 55 Cb 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1i4j h ALA 55 CO 0.01 0.19 0.48 0.00 0.00 0.00 0.00 179.25 179.93 1i4j h ALA 56 N 1.00 0.95 -0.62 0.00 0.00 -0.97 -1.67 119.26 117.95 1i4j h ALA 56 Ca 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1i4j h ALA 56 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1i4j h ALA 56 CO -0.01 0.39 0.06 -0.97 0.00 0.00 0.00 179.25 178.72 1i4j h ASN 57 N 1.02 1.03 -0.25 0.00 -1.24 -1.13 0.04 115.58 115.05 1i4j h ASN 57 Ca 0.27 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1i4j h ASN 57 Cb -0.09 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.67 1i4j h ASN 57 CO -0.06 1.05 0.12 0.00 -1.29 0.00 0.00 177.43 177.25 1i4j h ALA 58 N 1.01 0.32 0.20 1.57 0.00 -0.70 -1.61 119.26 120.05 1i4j h ALA 58 Ca 0.18 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 1i4j h ALA 58 Cb 0.49 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.21 1i4j h ALA 58 CO 0.02 -0.11 -1.27 0.28 0.00 0.00 0.00 179.25 178.17 1i4j h VAL 59 N 0.27 1.34 0.15 0.00 2.07 -1.29 -1.11 116.25 117.67 1i4j h VAL 59 Ca 0.08 -2.60 -0.29 0.00 0.82 0.00 0.00 66.70 64.72 1i4j h VAL 59 Cb 0.13 3.01 0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1i4j h VAL 59 CO -0.01 0.77 -1.27 0.78 0.02 0.00 0.00 177.57 177.86 1i4j h ASN 60 N 0.05 0.56 0.00 0.57 2.35 -1.06 -3.30 115.58 114.75 1i4j h ASN 60 Ca -0.21 -0.58 -0.26 0.00 -0.55 0.00 0.00 56.30 54.69 1i4j h ASN 60 Cb 1.98 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 40.13 1i4j h ASN 60 CO 0.24 1.44 -2.00 0.59 -1.65 0.00 0.00 177.43 176.05 1i4j n ASN 61 N -3.61 2.60 -0.44 5.81 3.02 -0.65 -4.60 115.26 117.39 1i4j n ASN 61 Ca -0.10 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.48 1i4j n ASN 61 Cb 1.02 -0.28 0.47 0.00 -0.61 0.00 0.00 39.78 40.38 1i4j n ASN 61 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1i4j n HIS 62 N -3.04 0.12 -2.65 3.10 8.25 -0.93 -4.92 115.22 115.14 1i4j n HIS 62 Ca -0.31 -0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 56.93 1i4j n HIS 62 Cb 0.83 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.94 1i4j n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1i4j n ASP 63 N 0.09 -4.28 -4.89 0.41 9.92 -1.01 -4.94 116.55 111.86 1i4j n ASP 63 Ca 0.17 0.03 -0.29 0.00 -0.53 0.00 0.00 54.79 54.17 1i4j n ASP 63 Cb 0.30 -3.59 -0.02 0.00 -0.64 0.00 0.00 41.12 37.17 1i4j n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i4j s ALA 64 N -2.77 3.39 -0.22 2.24 0.00 -0.45 -5.00 121.76 118.95 1i4j s ALA 64 Ca 0.10 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 1i4j s ALA 64 Cb -0.05 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1i4j s ALA 64 CO 0.12 -0.11 0.50 -0.51 0.00 0.00 0.00 175.76 175.76 1i4j s LEU 65 N -4.15 4.11 0.40 0.00 1.43 -1.26 -4.27 118.68 114.94 1i4j s LEU 65 Ca 0.49 0.59 0.14 0.00 -1.03 0.00 0.00 54.13 54.33 1i4j s LEU 65 Cb -0.10 -2.66 0.99 0.00 0.03 0.00 0.00 46.19 44.45 1i4j s LEU 65 CO 0.36 -0.20 1.86 -0.08 0.23 0.00 0.00 176.35 178.52 1i4j h GLU 66 N 7.65 0.48 0.00 1.70 4.81 -1.96 -0.16 114.58 127.10 1i4j h GLU 66 Ca -0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1i4j h GLU 66 Cb 1.15 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1i4j h GLU 66 CO 0.73 0.32 0.00 -0.25 -0.73 0.00 0.00 179.01 179.08 1i4j n ASP 67 N -4.53 0.55 -0.25 1.04 8.00 -1.26 -2.76 116.55 117.33 1i4j n ASP 67 Ca 0.18 0.65 0.06 0.00 0.71 0.00 0.00 54.79 56.39 1i4j n ASP 67 Cb 0.61 -0.76 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1i4j n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i4j n ARG 68 N -2.12 2.03 -2.36 -1.24 1.74 -0.09 -5.00 116.66 109.62 1i4j n ARG 68 Ca 0.02 -0.63 -0.39 0.00 -0.77 0.00 0.00 57.85 56.07 1i4j n ARG 68 Cb 0.20 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1i4j n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i4j s LEU 69 N -1.79 4.39 0.07 0.55 1.43 -1.11 0.40 118.68 122.62 1i4j s LEU 69 Ca 0.10 2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1i4j s LEU 69 Cb 0.10 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1i4j s LEU 69 CO 0.31 -0.40 0.13 -0.72 0.23 0.00 0.00 176.35 175.91 1i4j s TYR 70 N -1.27 0.23 -0.81 0.29 1.13 -0.54 -1.34 117.35 115.04 1i4j s TYR 70 Ca 0.50 -0.65 -0.25 0.00 -1.41 0.00 0.00 57.07 55.26 1i4j s TYR 70 Cb -0.32 -0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1i4j s TYR 70 CO 0.42 -0.48 1.27 0.08 -2.51 0.00 0.00 175.55 174.32 1i4j s VAL 71 N -3.65 3.91 0.19 -3.49 1.01 0.19 -2.14 120.40 116.43 1i4j s VAL 71 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1i4j s VAL 71 Cb 0.04 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1i4j s VAL 71 CO -0.10 -1.80 1.57 0.11 0.00 0.00 0.00 175.10 174.89 1i4j h LYS 72 N 9.84 0.80 -2.79 2.72 1.57 -1.45 0.18 116.57 127.44 1i4j h LYS 72 Ca -0.14 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 1i4j h LYS 72 Cb 1.04 -0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.14 1i4j h LYS 72 CO 1.29 0.99 -0.16 0.00 -0.57 0.00 0.00 179.45 181.01 1i4j s ALA 73 N -4.48 -1.02 -0.27 3.86 0.00 -1.05 -4.70 121.76 114.10 1i4j s ALA 73 Ca -0.10 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1i4j s ALA 73 Cb 0.12 0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.42 1i4j s ALA 73 CO 0.85 -0.29 0.59 0.00 0.00 0.00 0.00 175.76 176.91 1i4j s ALA 74 N -1.32 -1.77 0.22 0.00 0.00 -1.26 -0.74 121.76 116.89 1i4j s ALA 74 Ca -0.13 2.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.84 1i4j s ALA 74 Cb -0.04 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 1i4j s ALA 74 CO 0.06 -0.79 0.43 1.52 0.00 0.00 0.00 175.76 176.98 1i4j s TYR 75 N 2.60 0.37 -0.05 0.00 1.13 -0.67 -4.85 117.35 115.87 1i4j s TYR 75 Ca -0.06 -0.72 0.04 0.00 -1.41 0.00 0.00 57.07 54.92 1i4j s TYR 75 Cb -0.11 0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1i4j s TYR 75 CO -0.17 -0.92 -0.17 0.08 -2.51 0.00 0.00 175.55 171.86 1i4j s VAL 76 N -4.00 1.47 0.16 -3.49 1.01 -1.26 -1.28 120.40 113.01 1i4j s VAL 76 Ca 0.21 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1i4j s VAL 76 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1i4j s VAL 76 CO 0.06 0.42 -0.02 -1.81 0.00 0.00 0.00 175.10 173.76 1i4j s ASP 77 N 0.16 4.69 0.11 3.32 1.01 -0.04 -4.95 116.67 120.97 1i4j s ASP 77 Ca -0.07 -0.40 -0.30 0.00 0.71 0.00 0.00 52.55 52.49 1i4j s ASP 77 Cb -0.13 -0.97 -0.06 0.00 1.01 0.00 0.00 42.92 42.77 1i4j s ASP 77 CO 0.03 0.11 1.12 -1.61 0.21 0.00 0.00 175.17 175.02 1i4j s GLU 78 N -2.80 4.53 0.00 8.23 2.02 -1.26 -1.38 118.70 128.04 1i4j s GLU 78 Ca 0.26 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.94 1i4j s GLU 78 Cb -0.10 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1i4j s GLU 78 CO 0.18 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1i4j n GLY 79 N 2.62 2.80 3.61 -1.39 0.00 0.53 -4.81 105.19 108.56 1i4j n GLY 79 Ca 0.06 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1i4j n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i4j n PRO 80 N -0.57 0.49 -2.27 1.61 -0.02 -1.26 -4.05 135.00 128.93 1i4j n PRO 80 Ca 0.00 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.42 1i4j n PRO 80 Cb 0.00 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.29 1i4j n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i4j s ALA 81 N -1.83 3.22 -0.11 3.55 0.00 -1.26 -1.34 121.76 123.98 1i4j s ALA 81 Ca 0.73 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1i4j s ALA 81 Cb -0.34 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1i4j s ALA 81 CO 0.51 -0.74 -0.24 0.08 0.00 0.00 0.00 175.76 175.37 1i4j s VAL 85 N -3.03 2.06 0.60 0.00 1.01 -0.07 -4.89 120.40 116.07 1i4j s VAL 85 Ca 0.53 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1i4j s VAL 85 Cb -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1i4j s VAL 85 CO 0.48 0.56 0.98 -0.76 0.00 0.00 0.00 175.10 176.36 1i4j s LEU 86 N 0.44 3.27 0.57 3.92 2.01 -1.26 -1.08 118.68 126.55 1i4j s LEU 86 Ca -0.16 1.26 0.32 0.00 0.01 0.00 0.00 54.13 55.55 1i4j s LEU 86 Cb -0.17 -4.25 1.72 0.00 0.01 0.00 0.00 46.19 43.50 1i4j s LEU 86 CO 0.07 -0.87 2.17 -0.65 1.01 0.00 0.00 176.35 178.07 1i4j h PRO 87 N -0.24 0.00 -3.18 1.29 0.11 -1.92 -3.43 132.00 124.62 1i4j h PRO 87 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1i4j h PRO 87 Cb 1.20 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 1i4j h PRO 87 CO 0.62 0.06 -0.29 1.03 -0.21 0.00 0.00 178.00 179.21 1i4j s ARG 88 N -4.26 0.70 0.25 1.05 3.00 -1.26 -5.06 118.95 113.37 1i4j s ARG 88 Ca -0.03 -0.33 0.12 0.00 0.00 0.00 0.00 55.73 55.48 1i4j s ARG 88 Cb 0.13 0.31 0.21 0.00 0.00 0.00 0.00 34.95 35.60 1i4j s ARG 88 CO 0.54 -0.20 1.51 0.00 0.00 0.00 0.00 175.30 177.15 1i4j h ALA 89 N 3.66 0.75 -2.26 2.13 0.00 -2.00 -3.46 119.26 118.08 1i4j h ALA 89 Ca -0.30 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 53.77 1i4j h ALA 89 Cb 1.19 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1i4j h ALA 89 CO 0.42 0.83 -0.70 1.03 0.00 0.00 0.00 179.25 180.84 1i4j s ARG 90 N -3.24 0.84 0.00 0.00 1.81 -1.26 -5.11 118.95 111.99 1i4j s ARG 90 Ca 0.00 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 1i4j s ARG 90 Cb 0.11 -0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.38 1i4j s ARG 90 CO 0.76 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.78 1i4j n GLY 91 N -0.01 -0.48 3.77 -3.53 0.00 -1.26 -4.94 105.19 98.74 1i4j n GLY 91 Ca -0.12 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1i4j n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i4j s ARG 92 N -1.61 3.72 -0.01 1.61 3.52 -1.26 -5.02 118.95 119.89 1i4j s ARG 92 Ca 0.00 2.44 0.01 0.00 -0.13 0.00 0.00 55.73 58.06 1i4j s ARG 92 Cb 0.00 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 1i4j s ARG 92 CO 0.00 -0.80 -0.04 0.00 -0.81 0.00 0.00 175.30 173.65 1i4j s ALA 93 N -1.19 0.40 -0.03 6.12 0.00 -1.26 -4.97 121.76 120.83 1i4j s ALA 93 Ca 0.60 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1i4j s ALA 93 Cb -0.44 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.59 1i4j s ALA 93 CO 0.57 0.06 0.94 -0.25 0.00 0.00 0.00 175.76 177.09 1i4j n ASP 94 N 3.24 1.53 -3.44 0.00 8.00 -1.26 -5.06 116.55 119.55 1i4j n ASP 94 Ca -0.16 -2.08 -0.13 0.00 0.71 0.00 0.00 54.79 53.13 1i4j n ASP 94 Cb 0.56 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1i4j n ASP 94 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1i4j s ILE 95 N -1.18 0.00 -0.09 0.53 2.07 -1.26 -5.15 121.20 116.12 1i4j s ILE 95 Ca 0.08 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 1i4j s ILE 95 Cb 0.07 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 1i4j s ILE 95 CO 0.01 0.00 0.37 -0.63 -1.91 0.00 0.00 174.94 172.78 1i4j s ILE 96 N -3.25 5.20 -0.07 2.00 -1.09 -1.26 -4.25 121.20 118.47 1i4j s ILE 96 Ca -0.01 0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 58.95 1i4j s ILE 96 Cb -0.01 -3.69 -0.15 0.00 -1.58 0.00 0.00 42.46 37.02 1i4j s ILE 96 CO -0.09 0.45 0.75 0.50 -1.23 0.00 0.00 174.94 175.32 1i4j h LYS 97 N 5.95 -0.14 -3.06 2.79 3.64 -1.38 -3.47 116.57 120.90 1i4j h LYS 97 Ca -0.45 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1i4j h LYS 97 Cb 1.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1i4j h LYS 97 CO 0.70 0.33 0.23 0.15 -2.27 0.00 0.00 179.45 178.59 1i4j s LYS 98 N -2.99 2.03 0.19 1.90 1.02 -1.19 -5.02 119.74 115.69 1i4j s LYS 98 Ca -0.12 -1.27 0.10 0.00 0.02 0.00 0.00 55.97 54.70 1i4j s LYS 98 Cb -0.00 0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 37.87 1i4j s LYS 98 CO 0.45 -0.94 -0.15 0.50 -0.92 0.00 0.00 175.35 174.29 1i4j s ARG 99 N -3.02 1.84 0.62 1.68 6.06 -1.26 -0.89 118.95 123.98 1i4j s ARG 99 Ca 0.14 -1.40 0.04 0.00 -2.50 0.00 0.00 55.73 52.01 1i4j s ARG 99 Cb -0.05 -2.02 0.12 0.00 0.06 0.00 0.00 34.95 33.05 1i4j s ARG 99 CO 0.10 0.41 0.85 0.25 -2.50 0.00 0.00 175.30 174.41 1i4j n THR 100 N 0.05 0.00 -4.00 4.11 -2.24 -0.45 -3.86 114.28 107.89 1i4j n THR 100 Ca -0.11 -1.62 -0.08 0.00 -2.27 0.00 0.00 64.05 59.97 1i4j n THR 100 Cb 0.56 -0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 1i4j n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i4j s SER 101 N -4.60 0.32 -0.11 3.42 1.04 -0.36 -0.34 113.70 113.06 1i4j s SER 101 Ca 0.60 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1i4j s SER 101 Cb -0.04 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1i4j s SER 101 CO 0.39 -0.53 -0.16 -1.00 0.98 0.00 0.00 173.24 172.92 1i4j s HIS 102 N -3.05 2.73 -0.10 5.02 3.76 -0.48 -0.73 115.29 122.43 1i4j s HIS 102 Ca -0.01 -0.72 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1i4j s HIS 102 Cb 0.02 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1i4j s HIS 102 CO -0.07 -0.24 -0.19 -1.50 -0.85 0.00 0.00 174.74 171.89 1i4j s ILE 103 N 0.26 2.55 -0.03 0.60 2.07 0.76 -0.86 121.20 126.56 1i4j s ILE 103 Ca -0.11 -0.85 0.07 0.00 -1.41 0.00 0.00 60.65 58.34 1i4j s ILE 103 Cb -0.16 -2.02 -0.02 0.00 0.13 0.00 0.00 42.46 40.39 1i4j s ILE 103 CO 0.06 0.55 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.51 1i4j s THR 104 N 0.22 2.26 -0.03 4.00 2.01 -0.40 -0.72 115.64 122.97 1i4j s THR 104 Ca -0.12 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1i4j s THR 104 Cb -0.16 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1i4j s THR 104 CO 0.06 0.58 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1i4j s VAL 105 N -0.60 0.53 -0.14 3.82 1.01 -0.74 -1.67 120.40 122.60 1i4j s VAL 105 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1i4j s VAL 105 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1i4j s VAL 105 CO -0.00 0.20 -0.16 -0.63 0.00 0.00 0.00 175.10 174.51 1i4j s ILE 106 N 0.58 1.66 0.06 2.22 1.01 0.08 -1.69 121.20 125.13 1i4j s ILE 106 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1i4j s ILE 106 Cb -0.11 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1i4j s ILE 106 CO 0.00 0.47 0.09 -0.76 0.00 0.00 0.00 174.94 174.74 1i4j s LEU 107 N 1.31 3.85 0.22 2.97 1.43 0.78 -1.12 118.68 128.12 1i4j s LEU 107 Ca 0.02 0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1i4j s LEU 107 Cb -0.13 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 1i4j s LEU 107 CO -0.08 0.19 0.30 -0.83 0.23 0.00 0.00 176.35 176.16 1i4j s GLY 108 N -2.26 1.00 0.08 -3.19 0.00 -0.91 -1.30 107.32 100.74 1i4j s GLY 108 Ca 0.28 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1i4j s GLY 108 CO 0.21 -1.02 0.39 -0.54 0.00 0.00 0.00 173.10 172.14 1i4j s GLU 109 N -4.08 3.74 0.00 2.90 2.02 -1.26 -1.47 118.70 120.55 1i4j s GLU 109 Ca 0.31 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1i4j s GLU 109 Cb 0.03 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1i4j s GLU 109 CO 0.11 0.56 0.00 0.36 0.02 0.00 0.00 175.26 176.30 1i4j n LYS 110 N 0.85 0.00 0.00 1.61 2.85 0.16 -4.85 118.16 118.78 1i4j n LYS 110 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1i4j n LYS 110 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1i4j n LYS 110 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1i4j n HIS 111 N 0.00 0.00 0.00 5.58 8.25 -1.26 -4.83 115.22 122.96 1i4j n HIS 111 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i4j n HIS 111 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1i4j n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i4j n GLY 112 N 0.00 1.68 0.00 -1.41 0.00 -1.26 -5.16 105.19 99.03 1i4j n GLY 112 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1i4j n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49