#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jum h LEU 3 N 0.00 0.00 0.61 -4.53 5.85 -1.99 0.24 115.31 115.49 1jum h LEU 3 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1jum h LEU 3 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1jum h LEU 3 CO 0.00 0.00 -0.29 0.50 -0.34 0.00 0.00 178.44 178.31 1jum h LYS 4 N 0.00 -0.79 -0.99 1.25 3.64 -2.01 -1.64 116.57 116.03 1jum h LYS 4 Ca 0.08 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.71 1jum h LYS 4 Cb 0.37 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.27 1jum h LYS 4 CO -0.00 -0.47 0.62 -0.44 -2.27 0.00 0.00 179.45 176.88 1jum h ASP 5 N -1.02 0.69 -0.08 4.20 3.45 -1.26 0.10 116.42 122.50 1jum h ASP 5 Ca -0.08 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1jum h ASP 5 Cb 0.68 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1jum h ASP 5 CO 0.14 0.24 0.03 0.11 -1.57 0.00 0.00 179.24 178.19 1jum h LYS 6 N 0.67 0.13 -0.14 3.56 1.57 -0.38 -0.35 116.57 121.62 1jum h LYS 6 Ca 0.56 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.35 1jum h LYS 6 Cb 1.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1jum h LYS 6 CO -0.34 0.25 -0.07 0.82 -0.57 0.00 0.00 179.45 179.54 1jum h ILE 7 N -0.02 0.77 0.72 1.86 5.03 -0.14 -1.59 117.51 124.14 1jum h ILE 7 Ca 0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.74 1jum h ILE 7 Cb 0.17 0.77 -0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1jum h ILE 7 CO -0.00 0.00 -0.45 -0.07 -0.68 0.00 0.00 178.15 176.95 1jum h LEU 8 N -0.06 -1.14 -0.88 1.44 3.38 -0.95 0.58 115.31 117.68 1jum h LEU 8 Ca 0.08 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1jum h LEU 8 Cb 0.18 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1jum h LEU 8 CO -0.18 -0.69 0.46 1.23 0.09 0.00 0.00 178.44 179.34 1jum h GLY 9 N -1.11 1.48 0.44 0.83 0.00 -0.96 0.08 103.07 103.83 1jum h GLY 9 Ca -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1jum h GLY 9 CO 0.09 -0.09 -0.02 -2.08 0.00 0.00 0.00 176.54 174.45 1jum h VAL 10 N 0.60 1.46 -0.40 4.60 2.07 -1.15 -2.90 116.25 120.53 1jum h VAL 10 Ca 0.50 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.71 1jum h VAL 10 Cb 0.77 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 1jum h VAL 10 CO -0.40 0.36 -0.14 0.00 0.02 0.00 0.00 177.57 177.41 1jum h ALA 11 N 0.42 0.19 -0.30 1.67 0.00 -0.52 -0.67 119.26 120.04 1jum h ALA 11 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1jum h ALA 11 Cb 0.60 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1jum h ALA 11 CO 0.00 -0.50 -0.31 -0.22 0.00 0.00 0.00 179.25 178.23 1jum h LYS 12 N -0.06 -0.28 0.26 0.00 3.64 -1.01 0.23 116.57 119.36 1jum h LYS 12 Ca 0.20 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1jum h LYS 12 Cb 0.36 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jum h LYS 12 CO -0.44 -0.18 -0.16 0.93 -2.27 0.00 0.00 179.45 177.33 1jum h GLU 13 N -0.29 -0.38 -0.87 1.90 4.39 -1.24 -1.00 114.58 117.09 1jum h GLU 13 Ca 0.15 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.03 1jum h GLU 13 Cb 0.53 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 1jum h GLU 13 CO -0.47 -0.26 0.57 -0.07 -1.16 0.00 0.00 179.01 177.63 1jum h LEU 14 N -0.40 0.56 -0.79 1.33 3.38 -0.59 0.24 115.31 119.04 1jum h LEU 14 Ca -0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1jum h LEU 14 Cb 0.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1jum h LEU 14 CO 0.03 0.27 -0.18 -0.26 0.09 0.00 0.00 178.44 178.38 1jum h PHE 15 N 0.59 0.79 -0.04 1.13 0.05 -0.01 0.67 116.94 120.12 1jum h PHE 15 Ca 0.44 -0.16 -0.23 0.00 3.82 0.00 0.00 57.97 61.84 1jum h PHE 15 Cb 0.84 -0.20 0.01 0.00 2.00 0.00 0.00 35.95 38.60 1jum h PHE 15 CO -0.00 0.84 -0.91 0.82 -0.18 0.00 0.00 178.31 178.88 1jum h ILE 16 N 0.63 1.34 0.01 -0.55 2.04 0.49 -1.97 117.51 119.49 1jum h ILE 16 Ca 0.10 -2.27 -0.24 0.00 1.00 0.00 0.00 64.86 63.45 1jum h ILE 16 Cb 0.66 2.29 0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1jum h ILE 16 CO 0.05 0.69 -1.00 0.50 0.00 0.00 0.00 178.15 178.39 1jum h LYS 17 N 0.33 0.52 -0.17 2.37 3.64 -0.41 -3.37 116.57 119.49 1jum h LYS 17 Ca -0.08 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 1jum h LYS 17 Cb 1.54 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1jum h LYS 17 CO 0.17 1.20 0.00 0.09 -2.27 0.00 0.00 179.45 178.64 1jum n ASN 18 N -3.78 2.41 -0.10 4.20 5.03 0.23 -5.07 115.26 118.17 1jum n ASN 18 Ca -0.09 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.43 1jum n ASN 18 Cb 0.86 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 1jum n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jum n GLY 19 N 0.07 -1.51 0.05 7.41 0.00 -0.74 -4.03 105.19 106.43 1jum n GLY 19 Ca 0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 1jum n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jum n TYR 20 N -0.19 0.61 -0.28 1.61 9.36 -1.26 -4.16 117.16 122.85 1jum n TYR 20 Ca 0.00 0.26 0.06 0.00 3.32 0.00 0.00 57.90 61.55 1jum n TYR 20 Cb 0.00 -0.59 0.21 0.00 -0.63 0.00 0.00 39.34 38.33 1jum n TYR 20 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jum h ASN 21 N -0.68 0.39 0.70 2.98 4.21 -1.94 -1.75 115.58 119.49 1jum h ASN 21 Ca 0.00 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1jum h ASN 21 Cb 0.36 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1jum h ASN 21 CO 0.00 0.15 0.00 0.00 -1.29 0.00 0.00 177.43 176.29 1jum h ALA 22 N 1.56 1.00 -1.75 -0.83 0.00 -1.79 -3.40 119.26 114.05 1jum h ALA 22 Ca 0.44 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.78 1jum h ALA 22 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1jum h ALA 22 CO -0.39 0.00 0.87 0.99 0.00 0.00 0.00 179.25 180.72 1jum s THR 23 N -3.68 4.24 0.43 0.00 2.01 -0.66 -4.99 115.64 112.98 1jum s THR 23 Ca 0.00 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 1jum s THR 23 Cb 0.10 -4.59 -0.06 0.00 0.01 0.00 0.00 72.50 67.96 1jum s THR 23 CO 0.46 -1.01 0.80 0.28 -0.69 0.00 0.00 174.62 174.46 1jum s THR 24 N 4.37 4.77 0.31 -0.82 -1.32 -1.26 -4.96 115.64 116.73 1jum s THR 24 Ca 0.46 0.66 0.07 0.00 -1.21 0.00 0.00 61.69 61.66 1jum s THR 24 Cb -0.08 -3.74 0.07 0.00 -1.51 0.00 0.00 72.50 67.24 1jum s THR 24 CO 0.30 -0.57 1.75 0.00 -2.21 0.00 0.00 174.62 173.89 1jum h THR 25 N 0.98 1.28 -0.25 5.08 1.03 -1.96 -2.79 112.91 116.28 1jum h THR 25 Ca -0.47 -1.34 -0.08 0.00 -0.01 0.00 0.00 66.41 64.51 1jum h THR 25 Cb 1.19 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.81 1jum h THR 25 CO 0.63 0.40 -0.17 1.23 -0.01 0.00 0.00 175.52 177.61 1jum h GLY 26 N 1.10 0.59 0.29 2.99 0.00 -1.99 -2.66 103.07 103.39 1jum h GLY 26 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.83 1jum h GLY 26 CO 0.05 0.51 -0.29 -2.09 0.00 0.00 0.00 176.54 174.72 1jum h GLU 27 N 0.26 -0.40 -0.59 4.80 4.81 -1.92 0.21 114.58 121.76 1jum h GLU 27 Ca 0.05 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1jum h GLU 27 Cb 0.70 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 1jum h GLU 27 CO 0.05 -0.26 -0.52 0.82 -0.73 0.00 0.00 179.01 178.36 1jum h ILE 28 N -0.41 0.00 0.00 2.32 2.04 -1.48 0.23 117.51 120.21 1jum h ILE 28 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1jum h ILE 28 Cb 0.52 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1jum h ILE 28 CO -0.28 0.00 -0.03 -0.37 0.00 0.00 0.00 178.15 177.47 1jum h VAL 29 N -0.21 0.54 -0.06 1.67 -1.51 -0.90 -1.90 116.25 113.88 1jum h VAL 29 Ca 0.10 -0.11 -0.19 0.00 -1.23 0.00 0.00 66.70 65.27 1jum h VAL 29 Cb 0.47 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1jum h VAL 29 CO -0.67 0.03 -0.75 0.50 -1.23 0.00 0.00 177.57 175.44 1jum h LYS 30 N 0.00 0.36 0.00 5.19 1.63 0.26 -1.10 116.57 122.90 1jum h LYS 30 Ca -0.00 -0.31 -0.21 0.00 -0.85 0.00 0.00 60.65 59.29 1jum h LYS 30 Cb 0.07 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1jum h LYS 30 CO 0.00 0.96 -1.11 -0.07 -3.45 0.00 0.00 179.45 175.78 1jum h LEU 31 N 0.24 0.00 -0.79 5.20 3.38 -0.51 -3.17 115.31 119.67 1jum h LEU 31 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jum h LEU 31 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1jum h LEU 31 CO 0.13 0.87 0.00 -1.54 0.09 0.00 0.00 178.44 177.99 1jum n SER 32 N -3.22 1.20 -3.84 -0.43 3.41 -0.90 -4.90 113.62 104.94 1jum n SER 32 Ca -0.04 -1.53 -0.24 0.00 -0.26 0.00 0.00 58.87 56.80 1jum n SER 32 Cb 0.92 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1jum n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jum n GLU 33 N -0.02 -4.05 0.00 4.33 1.02 -1.10 -4.89 120.64 115.93 1jum n GLU 33 Ca 0.17 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1jum n GLU 33 Cb 0.28 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 1jum n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jum n SER 34 N -3.02 0.00 -4.02 1.62 2.88 -0.44 -5.06 113.62 105.59 1jum n SER 34 Ca -0.30 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.15 1jum n SER 34 Cb 0.68 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.06 1jum n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jum s SER 35 N 0.56 0.19 0.09 -3.46 1.04 -1.26 -4.83 113.70 106.03 1jum s SER 35 Ca 0.00 -0.95 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 1jum s SER 35 Cb 0.00 0.35 -0.11 0.00 0.10 0.00 0.00 66.02 66.36 1jum s SER 35 CO 0.00 -0.78 1.37 0.50 0.98 0.00 0.00 173.24 175.31 1jum h LYS 36 N 2.75 0.68 -0.07 4.02 3.64 -1.94 -2.60 116.57 123.05 1jum h LYS 36 Ca -0.33 -0.41 0.03 0.00 -1.27 0.00 0.00 60.65 58.67 1jum h LYS 36 Cb 1.20 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1jum h LYS 36 CO 0.55 1.03 -0.49 0.78 -2.27 0.00 0.00 179.45 179.05 1jum h GLY 37 N 0.40 -0.96 0.22 5.01 0.00 -1.99 -1.54 103.07 104.21 1jum h GLY 37 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 47.33 48.03 1jum h GLY 37 CO 0.09 -0.22 -0.15 3.43 0.00 0.00 0.00 176.54 179.68 1jum h ASN 38 N -0.59 -0.52 -0.20 0.19 4.21 -1.96 -0.94 115.58 115.77 1jum h ASN 38 Ca 0.04 0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.73 1jum h ASN 38 Cb 0.68 0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 38.10 1jum h ASN 38 CO -0.39 -0.19 -0.20 0.25 -1.29 0.00 0.00 177.43 175.61 1jum h LEU 39 N -0.11 -0.64 -1.21 1.61 5.85 -1.02 -0.23 115.31 119.55 1jum h LEU 39 Ca 0.16 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1jum h LEU 39 Cb 0.35 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1jum h LEU 39 CO -0.38 -0.25 -0.39 1.88 -0.34 0.00 0.00 178.44 178.97 1jum h TYR 40 N -0.22 0.00 -0.38 1.25 0.05 -1.06 -0.25 116.97 116.36 1jum h TYR 40 Ca 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 1jum h TYR 40 Cb 0.41 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1jum h TYR 40 CO -0.35 0.39 -0.31 -0.92 -1.05 0.00 0.00 178.16 175.93 1jum h TYR 41 N 0.00 1.04 0.05 4.88 3.20 -0.54 -2.71 116.97 122.89 1jum h TYR 41 Ca -0.00 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 1jum h TYR 41 Cb 0.71 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1jum h TYR 41 CO 0.00 1.09 -0.02 0.45 -1.64 0.00 0.00 178.16 178.04 1jum h HIS 42 N 0.68 -0.06 -2.34 -3.82 3.86 -0.66 -3.39 115.15 109.42 1jum h HIS 42 Ca 0.07 -0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.62 1jum h HIS 42 Cb 0.89 0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.00 1jum h HIS 42 CO 0.06 0.56 -0.13 1.19 0.86 0.00 0.00 177.93 180.47 1jum n PHE 43 N -4.77 3.47 0.00 2.45 3.01 -0.14 -5.01 117.46 116.46 1jum n PHE 43 Ca -0.08 -3.60 0.00 0.00 1.01 0.00 0.00 57.45 54.78 1jum n PHE 43 Cb 0.32 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 1jum n PHE 43 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1jum n LYS 44 N 0.32 0.00 -4.36 -1.08 4.81 -1.02 -4.35 118.16 112.48 1jum n LYS 44 Ca 0.33 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.58 1jum n LYS 44 Cb 0.36 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.31 1jum n LYS 44 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jum s THR 45 N 0.00 1.28 0.17 3.15 -4.23 -1.26 -4.81 115.64 109.95 1jum s THR 45 Ca 0.00 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1jum s THR 45 Cb 0.00 -2.33 0.08 0.00 1.34 0.00 0.00 72.50 71.59 1jum s THR 45 CO 0.00 -0.36 1.77 0.50 -0.54 0.00 0.00 174.62 175.99 1jum h LYS 46 N 2.43 0.85 0.36 3.99 3.64 -1.98 0.84 116.57 126.69 1jum h LYS 46 Ca -0.39 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1jum h LYS 46 Cb 1.22 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1jum h LYS 46 CO 0.65 0.68 -0.47 0.93 -2.27 0.00 0.00 179.45 178.96 1jum h GLU 47 N 0.81 -0.83 -1.00 1.90 3.07 -1.97 0.73 114.58 117.29 1jum h GLU 47 Ca 0.20 0.06 0.22 0.00 -0.50 0.00 0.00 59.36 59.34 1jum h GLU 47 Cb 0.10 0.19 -0.12 0.00 -0.84 0.00 0.00 28.75 28.08 1jum h GLU 47 CO -0.03 -0.55 0.59 -0.97 -1.40 0.00 0.00 179.01 176.65 1jum h ASN 48 N -0.86 0.71 0.31 1.42 -1.24 -1.74 0.92 115.58 115.10 1jum h ASN 48 Ca -0.04 0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1jum h ASN 48 Cb 0.77 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.83 1jum h ASN 48 CO -0.12 0.17 -0.15 0.25 -1.29 0.00 0.00 177.43 176.29 1jum h LEU 49 N 0.65 -0.35 0.15 0.34 5.85 0.22 -2.82 115.31 119.35 1jum h LEU 49 Ca 0.61 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1jum h LEU 49 Cb 1.08 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1jum h LEU 49 CO -0.44 -0.00 -0.35 0.15 -0.34 0.00 0.00 178.44 177.46 1jum h PHE 50 N -0.73 -0.96 -1.00 1.25 3.04 0.17 -2.17 116.94 116.53 1jum h PHE 50 Ca -0.04 0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.25 1jum h PHE 50 Cb 0.49 0.40 -0.15 0.00 2.56 0.00 0.00 35.95 39.26 1jum h PHE 50 CO 0.02 -0.46 0.57 1.25 -2.02 0.00 0.00 178.31 177.67 1jum h LEU 51 N -0.60 0.52 -0.29 0.59 7.12 0.78 0.66 115.31 124.09 1jum h LEU 51 Ca 0.02 0.19 -0.18 0.00 0.13 0.00 0.00 57.88 58.04 1jum h LEU 51 Cb 0.62 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1jum h LEU 51 CO -0.19 -0.13 -0.51 -0.08 -0.13 0.00 0.00 178.44 177.40 1jum h GLU 52 N 0.33 0.85 -0.37 1.25 4.81 -1.14 -0.53 114.58 119.78 1jum h GLU 52 Ca 0.73 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1jum h GLU 52 Cb 1.67 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.09 1jum h GLU 52 CO -0.60 1.17 0.10 0.82 -0.73 0.00 0.00 179.01 179.77 1jum h ILE 53 N 0.63 1.16 -0.26 2.32 2.04 -0.50 -0.69 117.51 122.21 1jum h ILE 53 Ca 0.02 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 1jum h ILE 53 Cb 1.12 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1jum h ILE 53 CO 0.12 0.21 -0.33 0.25 0.00 0.00 0.00 178.15 178.39 1jum h LEU 54 N 0.53 0.59 -0.78 1.44 5.85 -0.63 -2.33 115.31 119.97 1jum h LEU 54 Ca 0.13 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 1jum h LEU 54 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1jum h LEU 54 CO -0.01 0.88 -0.54 -1.13 -0.34 0.00 0.00 178.44 177.30 1jum h ASN 55 N 0.48 0.00 0.05 1.25 -1.24 0.24 -2.32 115.58 114.04 1jum h ASN 55 Ca 0.05 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1jum h ASN 55 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1jum h ASN 55 CO 0.07 0.54 -0.02 0.40 -1.29 0.00 0.00 177.43 177.12 1jum h ILE 56 N 0.00 0.66 -0.80 2.57 1.08 -1.00 -2.98 117.51 117.04 1jum h ILE 56 Ca -0.01 -1.40 0.17 0.00 -0.39 0.00 0.00 64.86 63.24 1jum h ILE 56 Cb 1.06 1.22 -0.15 0.00 -3.07 0.00 0.00 36.82 35.88 1jum h ILE 56 CO 0.07 0.21 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.30 1jum h GLU 57 N -0.99 0.03 0.00 2.37 4.39 -1.48 0.17 114.58 119.07 1jum h GLU 57 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1jum h GLU 57 Cb 0.40 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1jum h GLU 57 CO 0.01 0.02 0.00 -1.91 -1.16 0.00 0.00 179.01 175.97 1jum n GLU 58 N -5.46 0.00 -0.06 2.33 4.07 -0.88 -0.40 120.64 120.24 1jum n GLU 58 Ca 0.13 0.84 -0.04 0.00 -0.06 0.00 0.00 57.16 58.03 1jum n GLU 58 Cb 0.46 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.36 1jum n GLU 58 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1jum h SER 59 N 0.00 -0.58 -1.20 4.31 0.87 -0.92 -0.47 113.55 115.56 1jum h SER 59 Ca 0.00 0.08 0.40 0.00 -1.23 0.00 0.00 61.79 61.04 1jum h SER 59 Cb 0.00 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.07 1jum h SER 59 CO 0.00 -0.10 0.75 0.11 -0.53 0.00 0.00 176.83 177.06 1jum h LYS 60 N -0.08 0.14 -0.22 2.24 1.57 -0.46 0.27 116.57 120.02 1jum h LYS 60 Ca 0.03 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1jum h LYS 60 Cb 0.16 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jum h LYS 60 CO -0.20 0.09 -0.65 2.35 -0.57 0.00 0.00 179.45 180.46 1jum h TRP 61 N 0.14 1.09 -0.62 -1.35 2.91 0.89 -2.41 115.95 116.60 1jum h TRP 61 Ca 0.79 -0.43 -0.08 0.00 1.13 0.00 0.00 58.89 60.30 1jum h TRP 61 Cb 2.30 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 30.73 1jum h TRP 61 CO -0.01 1.27 0.09 1.96 -1.03 0.00 0.00 178.44 180.72 1jum h GLN 62 N 0.60 1.04 -0.61 2.65 4.20 0.21 -2.67 115.11 120.53 1jum h GLN 62 Ca -0.02 -0.28 0.09 0.00 0.06 0.00 0.00 58.65 58.50 1jum h GLN 62 Cb 1.28 -0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.83 1jum h GLN 62 CO 0.14 0.97 -0.43 1.49 -0.67 0.00 0.00 178.83 180.34 1jum h GLU 63 N 0.95 -0.19 0.00 1.46 4.22 -0.59 -0.32 114.58 120.10 1jum h GLU 63 Ca 0.19 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.64 1jum h GLU 63 Cb 0.44 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1jum h GLU 63 CO 0.01 -0.13 -0.01 0.37 -2.18 0.00 0.00 179.01 177.07 1jum h GLN 64 N -0.20 0.00 0.00 1.92 4.15 -1.20 -2.06 115.11 117.72 1jum h GLN 64 Ca 0.19 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.43 1jum h GLN 64 Cb 0.56 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1jum h GLN 64 CO -0.71 0.01 -1.03 2.35 -1.93 0.00 0.00 178.83 177.52 1jum h TRP 65 N 0.00 0.00 -0.01 3.99 -0.00 -0.78 -2.19 115.95 116.96 1jum h TRP 65 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1jum h TRP 65 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.18 1jum h TRP 65 CO 0.00 0.80 -0.00 -0.22 -0.00 0.00 0.00 178.44 179.02 1jum h LYS 66 N 0.00 0.02 -0.63 2.65 3.64 -0.50 -1.53 116.57 120.22 1jum h LYS 66 Ca -0.07 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1jum h LYS 66 Cb 1.68 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 1jum h LYS 66 CO 0.09 0.38 0.13 0.87 -2.27 0.00 0.00 179.45 178.65 1jum h LYS 67 N -0.34 1.02 -0.09 1.90 1.57 -1.57 -3.32 116.57 115.74 1jum h LYS 67 Ca 0.00 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1jum h LYS 67 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jum h LYS 67 CO 0.00 0.93 -0.63 1.49 -0.57 0.00 0.00 179.45 180.68 1jum h GLU 68 N 0.93 0.32 0.00 3.15 4.57 -1.21 -3.33 114.58 119.01 1jum h GLU 68 Ca 0.19 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1jum h GLU 68 Cb 0.39 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1jum h GLU 68 CO 0.01 0.85 -0.06 -0.56 -1.18 0.00 0.00 179.01 178.06 1jum h GLN 69 N 0.24 0.00 -1.14 1.92 3.07 -1.37 -2.23 115.11 115.59 1jum h GLN 69 Ca -0.01 0.00 0.32 0.00 0.09 0.00 0.00 58.65 59.05 1jum h GLN 69 Cb 1.16 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.65 1jum h GLN 69 CO 0.10 0.06 0.78 0.82 0.09 0.00 0.00 178.83 180.69 1jum h ILE 70 N 0.00 0.43 0.00 1.86 1.08 -1.76 0.32 117.51 119.45 1jum h ILE 70 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1jum h ILE 70 Cb 0.11 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1jum h ILE 70 CO 0.01 0.03 0.00 0.11 -0.69 0.00 0.00 178.15 177.61 1jum h LYS 71 N 0.16 0.00 -5.11 2.37 1.57 -1.66 -3.42 116.57 110.48 1jum h LYS 71 Ca 0.59 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.74 1jum h LYS 71 Cb 2.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 34.12 1jum h LYS 71 CO -0.14 0.00 -0.58 0.00 -0.57 0.00 0.00 179.45 178.16 1jum s ALA 72 N -3.39 3.34 0.00 3.86 0.00 0.11 -5.03 121.76 120.65 1jum s ALA 72 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1jum s ALA 72 Cb 0.09 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1jum s ALA 72 CO 0.44 -0.16 0.77 1.17 0.00 0.00 0.00 175.76 177.98 1jum n LYS 73 N 4.24 0.00 -0.56 0.00 3.00 -1.26 -4.76 118.16 118.81 1jum n LYS 73 Ca -0.16 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1jum n LYS 73 Cb 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1jum n LYS 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jum n THR 74 N -1.36 0.00 0.03 3.15 -2.24 -1.26 -4.93 114.28 107.66 1jum n THR 74 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1jum n THR 74 Cb 0.00 -1.34 -0.09 0.00 -2.10 0.00 0.00 70.33 66.80 1jum n THR 74 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jum n ASN 75 N -2.57 0.62 -0.15 3.42 3.02 -1.26 -1.31 115.26 117.04 1jum n ASN 75 Ca 0.00 0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1jum n ASN 75 Cb 0.00 0.61 0.31 0.00 -0.61 0.00 0.00 39.78 40.10 1jum n ASN 75 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1jum h ARG 76 N 0.00 0.82 0.09 3.52 1.12 -1.95 -1.22 114.38 116.75 1jum h ARG 76 Ca -0.15 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.49 1jum h ARG 76 Cb 1.44 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1jum h ARG 76 CO 0.03 0.54 -0.89 0.93 -3.11 0.00 0.00 179.97 177.47 1jum h GLU 77 N 0.84 0.19 -1.01 0.20 5.08 -1.95 -2.76 114.58 115.17 1jum h GLU 77 Ca 0.24 -0.32 0.25 0.00 -1.00 0.00 0.00 59.36 58.53 1jum h GLU 77 Cb -0.04 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 1jum h GLU 77 CO -0.06 1.15 0.66 0.87 -1.00 0.00 0.00 179.01 180.63 1jum h LYS 78 N -0.55 0.39 0.56 2.33 1.57 -0.99 0.34 116.57 120.23 1jum h LYS 78 Ca -0.19 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1jum h LYS 78 Cb 1.51 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.74 1jum h LYS 78 CO 0.05 0.26 -0.27 0.35 -0.57 0.00 0.00 179.45 179.27 1jum h PHE 79 N 0.40 -0.70 -0.62 -1.35 3.57 -1.28 -1.40 116.94 115.56 1jum h PHE 79 Ca 0.56 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.17 1jum h PHE 79 Cb 1.43 0.23 -0.11 0.00 2.79 0.00 0.00 35.95 40.28 1jum h PHE 79 CO -0.00 -0.41 -0.12 1.88 -2.23 0.00 0.00 178.31 177.42 1jum h TYR 80 N -1.17 -0.26 0.29 0.41 0.05 -0.87 -2.21 116.97 113.21 1jum h TYR 80 Ca -0.08 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1jum h TYR 80 Cb 0.60 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 1jum h TYR 80 CO 0.00 -0.25 -0.38 1.25 -1.05 0.00 0.00 178.16 177.73 1jum h LEU 81 N 0.02 -1.09 -0.90 3.88 5.85 -0.38 -2.93 115.31 119.77 1jum h LEU 81 Ca 0.30 0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.31 1jum h LEU 81 Cb 0.47 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 41.76 1jum h LEU 81 CO -0.61 -0.47 0.45 0.22 -0.34 0.00 0.00 178.44 177.68 1jum h TYR 82 N -0.69 0.77 0.00 1.25 3.20 -0.92 0.17 116.97 120.74 1jum h TYR 82 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jum h TYR 82 Cb 0.63 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1jum h TYR 82 CO -0.27 0.07 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.35 1jum h ASN 83 N 0.53 0.00 0.28 -2.11 -0.26 -1.31 -2.43 115.58 110.28 1jum h ASN 83 Ca 0.54 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.94 1jum h ASN 83 Cb 0.92 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 1jum h ASN 83 CO -0.45 0.06 -1.81 -0.08 -1.06 0.00 0.00 177.43 174.09 1jum h GLU 84 N 0.00 0.22 -0.08 0.81 4.81 -0.56 -3.30 114.58 116.48 1jum h GLU 84 Ca -0.00 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1jum h GLU 84 Cb 0.33 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1jum h GLU 84 CO 0.01 1.04 -0.14 -0.07 -0.73 0.00 0.00 179.01 179.12 1jum h LEU 85 N 0.06 0.11 -1.62 1.64 4.07 -0.86 -1.69 115.31 117.02 1jum h LEU 85 Ca -0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 1jum h LEU 85 Cb 2.03 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.73 1jum h LEU 85 CO 0.11 0.27 0.15 0.28 -1.08 0.00 0.00 178.44 178.17 1jum h SER 86 N 0.11 0.36 -0.33 -0.43 0.02 -1.52 -0.47 113.55 111.29 1jum h SER 86 Ca 0.02 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1jum h SER 86 Cb 0.33 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1jum h SER 86 CO 0.02 0.30 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.83 1jum h LEU 87 N 0.41 0.67 0.00 5.07 3.38 -1.42 -3.37 115.31 120.04 1jum h LEU 87 Ca 0.11 -0.39 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 1jum h LEU 87 Cb 0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1jum h LEU 87 CO -0.02 0.90 -1.58 0.35 0.09 0.00 0.00 178.44 178.19 1jum n THR 88 N -4.40 1.43 -1.94 0.22 -2.24 -0.96 -4.97 114.28 101.42 1jum n THR 88 Ca -0.03 -0.75 -0.34 0.00 -2.27 0.00 0.00 64.05 60.66 1jum n THR 88 Cb 0.36 -0.92 0.03 0.00 -2.10 0.00 0.00 70.33 67.70 1jum n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jum s THR 89 N -2.74 3.10 -2.12 4.28 -1.32 -0.23 -4.94 115.64 111.68 1jum s THR 89 Ca -0.04 0.59 0.24 0.00 -1.21 0.00 0.00 61.69 61.27 1jum s THR 89 Cb 0.08 -3.15 0.09 0.00 -1.51 0.00 0.00 72.50 68.02 1jum s THR 89 CO 0.82 -0.24 1.23 -1.84 -2.21 0.00 0.00 174.62 172.38 1jum n GLU 90 N -1.96 1.30 -3.41 7.08 0.28 -1.26 -4.85 120.64 117.82 1jum n GLU 90 Ca 0.11 -1.01 -0.38 0.00 -0.16 0.00 0.00 57.16 55.72 1jum n GLU 90 Cb 0.51 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 1jum n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jum s TYR 91 N -2.40 3.62 0.00 -1.84 4.12 -1.26 -4.72 117.35 114.86 1jum s TYR 91 Ca 0.22 0.93 0.00 0.00 0.02 0.00 0.00 57.07 58.24 1jum s TYR 91 Cb 0.19 -2.42 0.00 0.00 -1.52 0.00 0.00 41.96 38.21 1jum s TYR 91 CO 0.52 0.41 0.00 0.98 0.02 0.00 0.00 175.55 177.47 1jum n TYR 92 N 2.74 0.00 0.19 2.71 4.19 -1.26 -4.57 117.16 121.16 1jum n TYR 92 Ca -0.11 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.21 1jum n TYR 92 Cb 0.52 0.00 0.55 0.00 0.49 0.00 0.00 39.34 40.90 1jum n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jum h TYR 93 N 0.00 0.00 0.03 2.98 0.05 -1.88 -2.24 116.97 115.91 1jum h TYR 93 Ca 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 1jum h TYR 93 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1jum h TYR 93 CO 0.00 0.00 -1.54 -1.35 -1.05 0.00 0.00 178.16 174.22 1jum h PRO 94 N 0.00 0.07 0.00 4.88 0.11 -1.84 -3.19 132.00 132.02 1jum h PRO 94 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1jum h PRO 94 Cb 0.30 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1jum h PRO 94 CO 0.00 0.79 0.00 1.28 -0.21 0.00 0.00 178.00 179.86 1jum n LEU 95 N -3.23 0.00 -0.36 2.35 4.77 -0.84 -3.70 117.00 116.00 1jum n LEU 95 Ca -0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1jum n LEU 95 Cb 1.02 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 42.39 1jum n LEU 95 CO 0.46 0.00 1.21 -0.61 -1.33 0.00 0.00 177.39 177.12 1jum h GLN 96 N 0.00 0.84 0.46 3.23 5.75 -1.59 0.30 115.11 124.10 1jum h GLN 96 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1jum h GLN 96 Cb 0.00 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.37 1jum h GLN 96 CO 0.00 0.56 -0.22 -0.97 -2.65 0.00 0.00 178.83 175.55 1jum h ASN 97 N 0.87 -0.52 0.31 -0.69 -1.24 -1.84 -2.22 115.58 110.24 1jum h ASN 97 Ca 0.54 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.50 1jum h ASN 97 Cb 0.70 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.88 1jum h ASN 97 CO -0.33 -0.33 -0.16 0.00 -1.29 0.00 0.00 177.43 175.33 1jum h ALA 98 N -0.16 1.42 -0.78 1.57 0.00 -1.72 -2.79 119.26 116.79 1jum h ALA 98 Ca -0.06 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1jum h ALA 98 Cb 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1jum h ALA 98 CO 0.10 0.20 0.51 0.82 0.00 0.00 0.00 179.25 180.88 1jum h ILE 99 N 0.00 1.18 -0.08 0.00 2.04 -0.32 -0.74 117.51 119.59 1jum h ILE 99 Ca -0.00 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1jum h ILE 99 Cb 0.35 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1jum h ILE 99 CO 0.02 0.19 -0.35 0.16 0.00 0.00 0.00 178.15 178.17 1jum h ILE 100 N 1.04 1.41 -0.61 -0.67 3.07 -1.29 -1.84 117.51 118.62 1jum h ILE 100 Ca 0.29 -1.73 0.11 0.00 1.55 0.00 0.00 64.86 65.08 1jum h ILE 100 Cb -0.09 2.30 -0.12 0.00 -0.27 0.00 0.00 36.82 38.64 1jum h ILE 100 CO -0.08 0.50 -0.33 -0.33 -1.05 0.00 0.00 178.15 176.87 1jum h GLU 101 N -0.11 -0.14 0.00 0.16 5.08 -1.40 0.39 114.58 118.57 1jum h GLU 101 Ca -0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jum h GLU 101 Cb 0.99 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1jum h GLU 101 CO 0.07 -0.09 -0.09 0.35 -1.00 0.00 0.00 179.01 178.24 1jum h PHE 102 N -0.15 0.00 0.00 4.33 3.04 -1.10 -1.80 116.94 121.25 1jum h PHE 102 Ca 0.24 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1jum h PHE 102 Cb 0.55 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1jum h PHE 102 CO -0.64 0.09 -0.17 -0.92 -2.02 0.00 0.00 178.31 174.65 1jum h TYR 103 N 0.00 0.00 -0.13 0.41 5.03 0.46 -2.67 116.97 120.07 1jum h TYR 103 Ca -0.00 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 1jum h TYR 103 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1jum h TYR 103 CO 0.00 0.30 0.27 1.79 -1.32 0.00 0.00 178.16 179.20 1jum h THR 104 N -1.00 0.20 0.00 1.81 1.35 -0.44 0.07 112.91 114.90 1jum h THR 104 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1jum h THR 104 Cb 0.37 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1jum h THR 104 CO -0.01 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.47 1jum n GLU 105 N -3.32 0.00 -0.55 4.72 2.13 -0.68 -4.14 120.64 118.80 1jum n GLU 105 Ca 0.01 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 57.97 1jum n GLU 105 Cb 0.37 -0.63 -0.03 0.00 0.27 0.00 0.00 31.44 31.42 1jum n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jum n TYR 106 N -1.17 0.00 -0.19 4.31 0.53 -1.01 -4.31 117.16 115.33 1jum n TYR 106 Ca 0.00 -1.01 -0.10 0.00 -1.02 0.00 0.00 57.90 55.78 1jum n TYR 106 Cb 0.00 -0.69 0.01 0.00 -1.03 0.00 0.00 39.34 37.64 1jum n TYR 106 CO 0.00 0.00 0.00 -0.92 -1.02 0.00 0.00 176.86 174.92 1jum h TYR 107 N 1.67 1.09 -3.44 -0.72 -0.00 -1.13 -3.37 116.97 111.07 1jum h TYR 107 Ca 0.04 -0.20 -0.70 0.00 -0.00 0.00 0.00 58.73 57.87 1jum h TYR 107 Cb 1.01 -0.28 -0.35 0.00 -0.00 0.00 0.00 36.73 37.11 1jum h TYR 107 CO 0.55 0.99 -0.24 0.15 -0.00 0.00 0.00 178.16 179.62 1jum s LYS 108 N -4.97 2.91 -0.25 1.82 1.02 -1.26 -4.58 119.74 114.43 1jum s LYS 108 Ca -0.12 -2.90 0.13 0.00 0.02 0.00 0.00 55.97 53.10 1jum s LYS 108 Cb 0.13 -3.84 0.36 0.00 -0.52 0.00 0.00 37.83 33.95 1jum s LYS 108 CO 0.85 -1.22 1.36 0.25 -0.92 0.00 0.00 175.35 175.66 1jum n THR 109 N 2.91 0.22 0.00 2.17 -2.24 -1.26 -5.10 114.28 110.99 1jum n THR 109 Ca 0.15 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1jum n THR 109 Cb 0.38 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1jum n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jum n ASN 110 N -1.03 0.00 -0.37 3.42 5.03 -1.26 -3.58 115.26 117.46 1jum n ASN 110 Ca -0.14 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.32 1jum n ASN 110 Cb 0.85 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.68 1jum n ASN 110 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jum h SER 111 N 0.00 -1.26 0.00 6.41 4.64 -1.98 0.55 113.55 121.91 1jum h SER 111 Ca 0.00 0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1jum h SER 111 Cb 0.00 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1jum h SER 111 CO 0.00 -0.30 0.40 0.40 -0.87 0.00 0.00 176.83 176.46 1jum h ILE 112 N -0.00 0.00 0.00 0.95 1.08 -1.88 1.15 117.51 118.81 1jum h ILE 112 Ca 0.39 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 1jum h ILE 112 Cb 0.64 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1jum h ILE 112 CO -1.00 0.00 -1.69 -3.20 -0.69 0.00 0.00 178.15 171.57 1jum n ASN 113 N -2.56 0.26 -0.05 1.72 5.15 0.19 -3.21 115.26 116.77 1jum n ASN 113 Ca -0.01 -0.07 -0.22 0.00 -0.60 0.00 0.00 54.58 53.68 1jum n ASN 113 Cb 0.43 1.59 -0.13 0.00 -0.53 0.00 0.00 39.78 41.15 1jum n ASN 113 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jum n GLU 114 N -2.22 0.68 0.16 1.20 1.02 0.36 -2.71 120.64 119.14 1jum n GLU 114 Ca -0.02 0.33 0.01 0.00 -0.02 0.00 0.00 57.16 57.46 1jum n GLU 114 Cb 0.53 -1.68 0.27 0.00 -0.02 0.00 0.00 31.44 30.55 1jum n GLU 114 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jum h LYS 115 N -0.31 0.00 -0.31 3.49 1.79 -0.78 -1.42 116.57 119.02 1jum h LYS 115 Ca -0.45 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.91 1jum h LYS 115 Cb 1.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 1jum h LYS 115 CO -0.06 0.49 -0.23 1.98 -1.08 0.00 0.00 179.45 180.55 1jum h MET 116 N 0.00 0.71 -0.18 3.15 4.05 -1.67 -2.59 114.93 118.40 1jum h MET 116 Ca -0.00 -0.34 -0.15 0.00 -0.28 0.00 0.00 59.70 58.92 1jum h MET 116 Cb 0.88 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1jum h MET 116 CO 0.06 0.95 -0.53 -0.91 0.23 0.00 0.00 176.91 176.72 1jum h ASN 117 N 0.47 0.56 -0.11 1.39 -0.26 -1.30 0.10 115.58 116.43 1jum h ASN 117 Ca 0.06 -0.29 0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1jum h ASN 117 Cb 0.78 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.84 1jum h ASN 117 CO 0.06 0.99 -0.13 0.11 -1.06 0.00 0.00 177.43 177.40 1jum h LYS 118 N 0.40 -0.16 0.39 0.81 1.57 -1.19 0.20 116.57 118.59 1jum h LYS 118 Ca 0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1jum h LYS 118 Cb 1.06 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1jum h LYS 118 CO 0.10 -0.10 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.62 1jum h LEU 119 N -0.16 -0.44 -0.97 2.94 3.38 -1.26 -1.30 115.31 117.50 1jum h LEU 119 Ca 0.08 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1jum h LEU 119 Cb 0.28 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1jum h LEU 119 CO -0.21 -0.31 0.98 -0.33 0.09 0.00 0.00 178.44 178.66 1jum h GLU 120 N -0.54 0.00 0.15 1.13 5.08 -0.66 0.90 114.58 120.64 1jum h GLU 120 Ca -0.05 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.99 1jum h GLU 120 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1jum h GLU 120 CO 0.09 0.00 -1.52 -0.91 -1.00 0.00 0.00 179.01 175.67 1jum h ASN 121 N 0.00 0.50 0.04 1.42 -0.26 0.21 -3.29 115.58 114.21 1jum h ASN 121 Ca 0.28 -0.64 -0.01 0.00 -0.56 0.00 0.00 56.30 55.37 1jum h ASN 121 Cb 2.24 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 39.34 1jum h ASN 121 CO -0.00 1.53 -0.03 0.11 -1.06 0.00 0.00 177.43 177.98 1jum h LYS 122 N 0.09 0.00 -0.09 0.81 1.57 0.19 -1.59 116.57 117.55 1jum h LYS 122 Ca -0.24 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1jum h LYS 122 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1jum h LYS 122 CO 0.19 0.03 -0.22 1.88 -0.57 0.00 0.00 179.45 180.76 1jum h TYR 123 N 0.00 0.40 -0.44 -1.35 -1.99 -1.58 -3.23 116.97 108.77 1jum h TYR 123 Ca -0.00 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.60 1jum h TYR 123 Cb 0.05 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 1jum h TYR 123 CO 0.00 0.83 0.25 0.82 -0.00 0.00 0.00 178.16 180.06 1jum h ILE 124 N -0.14 1.02 -1.59 -2.88 5.03 -1.53 -2.32 117.51 115.09 1jum h ILE 124 Ca -0.00 -0.17 0.49 0.00 -0.12 0.00 0.00 64.86 65.06 1jum h ILE 124 Cb 0.82 0.48 -0.10 0.00 -3.03 0.00 0.00 36.82 34.98 1jum h ILE 124 CO 0.05 0.09 1.10 -0.78 -0.68 0.00 0.00 178.15 177.93 1jum h ASP 125 N 0.50 0.11 0.74 1.72 3.58 -1.32 0.63 116.42 122.38 1jum h ASP 125 Ca 0.18 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 1jum h ASP 125 Cb 0.04 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.17 1jum h ASP 125 CO -0.10 -0.10 -0.36 0.00 -2.88 0.00 0.00 179.24 175.81 1jum h ALA 126 N 1.33 -1.00 0.00 -0.78 0.00 -1.50 -1.69 119.26 115.62 1jum h ALA 126 Ca 0.85 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1jum h ALA 126 Cb 3.08 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 21.26 1jum h ALA 126 CO -0.21 -1.05 -0.08 1.88 0.00 0.00 0.00 179.25 179.79 1jum h TYR 127 N -1.02 0.00 -0.04 0.00 0.05 0.00 -2.32 116.97 113.64 1jum h TYR 127 Ca -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1jum h TYR 127 Cb 0.77 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 1jum h TYR 127 CO -0.02 0.08 0.02 1.25 -1.05 0.00 0.00 178.16 178.44 1jum h HIS 128 N 0.00 0.06 -0.13 4.88 2.76 -0.16 -1.87 115.15 120.69 1jum h HIS 128 Ca -0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1jum h HIS 128 Cb 0.31 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 1jum h HIS 128 CO 0.00 0.16 -0.08 0.28 -1.30 0.00 0.00 177.93 176.99 1jum h VAL 129 N -0.05 1.33 -0.68 5.26 2.07 -1.07 -0.11 116.25 122.99 1jum h VAL 129 Ca 0.01 -1.14 0.14 0.00 0.82 0.00 0.00 66.70 66.53 1jum h VAL 129 Cb 0.12 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.59 1jum h VAL 129 CO -0.00 0.33 0.12 0.40 0.02 0.00 0.00 177.57 178.43 1jum h ILE 130 N -0.07 0.53 0.00 4.57 1.08 -1.34 0.25 117.51 122.53 1jum h ILE 130 Ca 0.03 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.29 1jum h ILE 130 Cb 0.56 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1jum h ILE 130 CO 0.02 0.04 -0.62 -0.26 -0.69 0.00 0.00 178.15 176.64 1jum h PHE 131 N 0.22 0.00 0.09 1.37 0.04 -1.31 -2.91 116.94 114.44 1jum h PHE 131 Ca 0.37 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.13 1jum h PHE 131 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1jum h PHE 131 CO -0.29 0.62 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.78 1jum h LYS 132 N 0.00 -0.11 -0.39 1.51 3.64 0.59 -2.99 116.57 118.82 1jum h LYS 132 Ca -0.01 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1jum h LYS 132 Cb 1.33 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1jum h LYS 132 CO 0.08 0.42 0.27 1.49 -2.27 0.00 0.00 179.45 179.44 1jum h GLU 133 N -0.81 0.12 0.00 1.90 4.57 -0.67 0.75 114.58 120.43 1jum h GLU 133 Ca -0.01 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1jum h GLU 133 Cb 0.59 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1jum h GLU 133 CO 0.02 0.08 -0.64 0.78 -1.18 0.00 0.00 179.01 178.07 1jum h GLY 134 N 0.13 0.00 0.23 1.92 0.00 -1.56 -3.17 103.07 100.62 1jum h GLY 134 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1jum h GLY 134 CO -0.02 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.84 1jum h ASN 135 N 0.00 -0.26 0.00 0.19 2.35 -0.70 -0.68 115.58 116.48 1jum h ASN 135 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jum h ASN 135 Cb 1.18 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1jum h ASN 135 CO 0.08 -0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.70 1jum n LEU 136 N -2.96 3.08 -0.13 1.61 -0.00 -1.00 -1.29 117.00 116.30 1jum n LEU 136 Ca -0.04 -1.40 0.00 0.00 -0.00 0.00 0.00 56.01 54.57 1jum n LEU 136 Cb 0.12 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1jum n LEU 136 CO 0.09 0.57 0.12 -3.20 -0.00 0.00 0.00 177.39 174.98 1jum n ASN 137 N 1.52 0.00 -2.50 1.45 5.15 -1.16 -5.01 115.26 114.70 1jum n ASN 137 Ca 0.00 -1.08 -0.17 0.00 -0.60 0.00 0.00 54.58 52.73 1jum n ASN 137 Cb 0.31 -0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.54 1jum n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jum n GLY 138 N 0.00 -0.50 0.11 8.20 0.00 -0.41 -4.85 105.19 107.73 1jum n GLY 138 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1jum n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jum n GLU 139 N -3.01 0.61 -3.87 1.61 1.02 -0.28 -5.00 120.64 111.71 1jum n GLU 139 Ca -0.18 0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.07 1jum n GLU 139 Cb 0.64 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1jum n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1jum s TRP 140 N -3.35 0.01 -0.25 -0.32 -2.14 -1.22 -5.04 118.94 106.63 1jum s TRP 140 Ca -0.01 -0.20 -0.02 0.00 2.66 0.00 0.00 56.10 58.53 1jum s TRP 140 Cb 0.10 0.59 0.08 0.00 -3.10 0.00 0.00 33.47 31.14 1jum s TRP 140 CO 0.80 -0.44 0.05 -1.12 -2.66 0.00 0.00 176.95 173.59 1jum s SER 141 N -3.49 3.46 -0.29 -2.66 0.01 -1.26 -4.24 113.70 105.23 1jum s SER 141 Ca 0.24 -1.19 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 1jum s SER 141 Cb 0.00 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1jum s SER 141 CO 0.00 -0.35 0.18 -0.63 0.41 0.00 0.00 173.24 172.85 1jum s ILE 142 N 1.73 5.11 0.00 1.44 -1.09 -1.26 -4.95 121.20 122.17 1jum s ILE 142 Ca 0.03 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1jum s ILE 142 Cb -0.17 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1jum s ILE 142 CO -0.16 0.21 0.75 -0.46 -1.23 0.00 0.00 174.94 174.05 1jum n ASN 143 N 5.04 0.00 -4.08 3.58 6.94 -1.26 -4.16 115.26 121.33 1jum n ASN 143 Ca -0.14 0.75 -0.35 0.00 -0.02 0.00 0.00 54.58 54.82 1jum n ASN 143 Cb 0.51 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 1jum n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jum s ASP 144 N -2.38 5.47 0.40 0.53 3.68 -1.26 -4.89 116.67 118.22 1jum s ASP 144 Ca 0.00 -3.32 0.19 0.00 2.13 0.00 0.00 52.55 51.55 1jum s ASP 144 Cb 0.00 -1.85 1.12 0.00 -1.45 0.00 0.00 42.92 40.74 1jum s ASP 144 CO 0.00 -0.26 1.77 0.58 0.13 0.00 0.00 175.17 177.39 1jum h VAL 145 N 4.70 0.52 -0.64 1.11 2.07 -1.96 0.86 116.25 122.90 1jum h VAL 145 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1jum h VAL 145 Cb 0.87 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1jum h VAL 145 CO 0.77 0.07 0.14 -1.13 0.02 0.00 0.00 177.57 177.44 1jum h ASN 146 N 0.38 0.97 0.85 0.57 -1.24 -1.95 0.75 115.58 115.91 1jum h ASN 146 Ca 0.59 -0.20 -0.23 0.00 0.71 0.00 0.00 56.30 57.16 1jum h ASN 146 Cb 1.52 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 40.28 1jum h ASN 146 CO -0.29 0.94 -1.18 0.00 -1.29 0.00 0.00 177.43 175.62 1jum h ALA 147 N 1.18 0.41 -0.23 1.57 0.00 -1.29 -3.06 119.26 117.84 1jum h ALA 147 Ca 0.20 -1.03 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 1jum h ALA 147 Cb 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jum h ALA 147 CO 0.00 1.29 -0.58 0.28 0.00 0.00 0.00 179.25 180.25 1jum h VAL 148 N 0.01 1.30 -0.44 0.00 2.07 -1.19 -2.31 116.25 115.68 1jum h VAL 148 Ca -0.08 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.69 1jum h VAL 148 Cb 1.84 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 1jum h VAL 148 CO 0.13 0.57 0.19 0.28 0.02 0.00 0.00 177.57 178.76 1jum h SER 149 N 0.56 0.25 -0.24 0.57 0.02 -0.89 0.76 113.55 114.58 1jum h SER 149 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1jum h SER 149 Cb 1.16 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1jum h SER 149 CO 0.12 0.18 0.14 0.11 -1.14 0.00 0.00 176.83 176.24 1jum h LYS 150 N 0.39 0.33 0.01 3.45 1.57 -1.43 -1.93 116.57 118.96 1jum h LYS 150 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jum h LYS 150 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1jum h LYS 150 CO -0.17 0.29 -0.00 0.82 -0.57 0.00 0.00 179.45 179.82 1jum h ILE 151 N 0.28 1.00 0.09 1.86 2.04 -0.83 -1.76 117.51 120.20 1jum h ILE 151 Ca 0.09 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1jum h ILE 151 Cb 0.05 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1jum h ILE 151 CO -0.01 0.01 -0.28 0.00 0.00 0.00 0.00 178.15 177.86 1jum h ALA 152 N 0.96 -0.46 -0.82 1.87 0.00 -0.83 -0.47 119.26 119.52 1jum h ALA 152 Ca -0.00 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.06 1jum h ALA 152 Cb 0.02 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1jum h ALA 152 CO 0.00 -0.81 0.27 0.00 0.00 0.00 0.00 179.25 178.71 1jum h ALA 153 N 0.24 1.18 0.00 0.00 0.00 -1.16 0.03 119.26 119.54 1jum h ALA 153 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jum h ALA 153 Cb 0.52 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jum h ALA 153 CO -0.18 -0.34 -0.56 -0.91 0.00 0.00 0.00 179.25 177.26 1jum h ASN 154 N 0.33 0.00 0.02 0.00 2.35 -0.97 -2.67 115.58 114.63 1jum h ASN 154 Ca 0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.09 1jum h ASN 154 Cb 0.88 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.26 1jum h ASN 154 CO -0.53 0.10 -0.56 0.00 -1.65 0.00 0.00 177.43 174.79 1jum h ALA 155 N 1.90 0.04 -0.56 -0.83 0.00 0.11 -2.97 119.26 116.95 1jum h ALA 155 Ca -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1jum h ALA 155 Cb 1.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1jum h ALA 155 CO 0.01 0.30 0.23 0.28 0.00 0.00 0.00 179.25 180.08 1jum h VAL 156 N -0.22 1.20 0.00 0.00 2.07 -1.14 -1.34 116.25 116.82 1jum h VAL 156 Ca -0.08 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1jum h VAL 156 Cb 1.30 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1jum h VAL 156 CO 0.11 0.24 -0.33 -1.13 0.02 0.00 0.00 177.57 176.48 1jum h ASN 157 N 0.79 0.00 -0.01 0.57 -0.73 -1.52 -0.99 115.58 113.70 1jum h ASN 157 Ca 0.19 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 1jum h ASN 157 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1jum h ASN 157 CO -0.02 0.33 -0.13 1.23 -0.37 0.00 0.00 177.43 178.47 1jum h GLY 158 N 1.17 0.12 0.01 1.57 0.00 -1.11 -2.02 103.07 102.80 1jum h GLY 158 Ca -0.00 -0.19 0.19 0.00 0.00 0.00 0.00 47.33 47.34 1jum h GLY 158 CO 0.04 0.16 0.49 -2.22 0.00 0.00 0.00 176.54 175.01 1jum h ILE 159 N -0.58 0.61 0.47 2.60 1.08 -0.98 0.20 117.51 120.92 1jum h ILE 159 Ca -0.01 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1jum h ILE 159 Cb 0.86 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1jum h ILE 159 CO 0.03 0.11 -0.23 0.58 -0.69 0.00 0.00 178.15 177.94 1jum h VAL 160 N 0.58 0.23 0.00 1.67 2.07 -1.18 -3.32 116.25 116.30 1jum h VAL 160 Ca 0.55 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jum h VAL 160 Cb 0.93 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jum h VAL 160 CO -0.44 0.05 0.00 0.35 0.02 0.00 0.00 177.57 177.55 1jum n THR 161 N -5.22 0.66 -1.45 2.57 -2.24 -0.76 -3.30 114.28 104.54 1jum n THR 161 Ca -0.09 0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 1jum n THR 161 Cb 0.29 -0.85 0.14 0.00 -2.10 0.00 0.00 70.33 67.81 1jum n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jum n PHE 162 N -2.09 2.33 -1.97 4.78 3.01 0.69 -4.32 117.46 119.89 1jum n PHE 162 Ca 0.04 -2.09 0.00 0.00 1.01 0.00 0.00 57.45 56.41 1jum n PHE 162 Cb 0.31 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1jum n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jum n THR 163 N -1.03 0.00 0.04 4.37 -2.24 -1.21 -4.93 114.28 109.29 1jum n THR 163 Ca 0.49 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.29 1jum n THR 163 Cb 1.11 0.07 0.11 0.00 -2.10 0.00 0.00 70.33 69.52 1jum n THR 163 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jum n HIS 164 N 0.00 0.14 -0.04 4.78 8.25 -1.24 -2.04 115.22 125.07 1jum n HIS 164 Ca 0.00 0.07 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1jum n HIS 164 Cb 0.51 -0.52 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 1jum n HIS 164 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1jum h GLU 165 N 0.00 0.00 -2.00 -0.41 -0.00 -1.92 -3.49 114.58 106.76 1jum h GLU 165 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.24 1jum h GLU 165 Cb 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 28.75 29.03 1jum h GLU 165 CO 0.00 0.00 -0.65 1.04 -0.00 0.00 0.00 179.01 179.40 1jum n GLN 166 N -4.00 0.00 -2.64 1.06 1.13 -0.86 -4.87 117.38 107.19 1jum n GLN 166 Ca -0.02 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.64 1jum n GLN 166 Cb 0.09 -0.35 -0.05 0.00 0.11 0.00 0.00 30.24 30.03 1jum n GLN 166 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1jum s ASN 167 N -0.35 7.46 0.55 1.08 2.47 -1.26 -4.93 114.94 119.96 1jum s ASN 167 Ca 0.09 2.06 0.29 0.00 0.42 0.00 0.00 52.86 55.72 1jum s ASN 167 Cb 0.03 -2.61 1.46 0.00 -1.45 0.00 0.00 41.25 38.67 1jum s ASN 167 CO 0.16 0.02 1.92 0.40 -3.72 0.00 0.00 177.10 175.87 1jum h ILE 168 N 3.07 0.53 0.00 -5.21 2.04 -1.96 0.22 117.51 116.20 1jum h ILE 168 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1jum h ILE 168 Cb 1.20 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1jum h ILE 168 CO 0.67 0.00 -0.96 -1.13 0.00 0.00 0.00 178.15 176.73 1jum h ASN 169 N 0.00 0.00 -0.01 1.72 -1.24 -2.00 -3.32 115.58 110.72 1jum h ASN 169 Ca 0.31 -0.01 -0.15 0.00 0.71 0.00 0.00 56.30 57.17 1jum h ASN 169 Cb 1.37 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.43 1jum h ASN 169 CO -0.00 0.00 -0.57 -0.33 -1.29 0.00 0.00 177.43 175.24 1jum h GLU 170 N 0.00 0.41 -0.11 6.67 4.39 -1.34 -3.18 114.58 121.42 1jum h GLU 170 Ca 0.00 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 1jum h GLU 170 Cb 0.99 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1jum h GLU 170 CO 0.00 1.08 0.07 0.00 -1.16 0.00 0.00 179.01 179.00 1jum h ARG 171 N -0.10 0.15 -0.70 2.33 3.08 -1.64 -0.67 114.38 116.83 1jum h ARG 171 Ca -0.07 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.15 1jum h ARG 171 Cb 1.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1jum h ARG 171 CO 0.11 0.13 0.49 0.82 -1.07 0.00 0.00 179.97 180.46 1jum h ILE 172 N 0.12 0.70 0.11 2.04 1.08 -1.65 0.22 117.51 120.12 1jum h ILE 172 Ca 0.04 -0.05 -0.27 0.00 -0.39 0.00 0.00 64.86 64.19 1jum h ILE 172 Cb 0.02 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1jum h ILE 172 CO -0.01 0.02 -1.28 0.11 -0.69 0.00 0.00 178.15 176.30 1jum h LYS 173 N 0.13 0.22 -0.01 2.37 1.57 -1.26 -2.44 116.57 117.15 1jum h LYS 173 Ca 0.34 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1jum h LYS 173 Cb 1.16 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1jum h LYS 173 CO -0.05 1.15 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.90 1jum h LEU 174 N 0.06 0.03 -0.50 2.94 3.38 0.31 -2.02 115.31 119.52 1jum h LEU 174 Ca -0.14 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.41 1jum h LEU 174 Cb 1.96 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.62 1jum h LEU 174 CO 0.18 0.53 0.06 -0.03 0.09 0.00 0.00 178.44 179.27 1jum h MET 175 N -0.47 0.18 0.09 1.13 4.05 -0.76 0.22 114.93 119.37 1jum h MET 175 Ca 0.00 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1jum h MET 175 Cb 0.52 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 1jum h MET 175 CO 0.00 0.12 -0.19 -0.91 0.23 0.00 0.00 176.91 176.16 1jum h ASN 176 N 0.19 -0.53 -0.69 1.39 4.21 -1.44 0.13 115.58 118.84 1jum h ASN 176 Ca 0.25 0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.87 1jum h ASN 176 Cb 0.36 0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.72 1jum h ASN 176 CO -0.37 -0.27 0.42 0.50 -1.29 0.00 0.00 177.43 176.42 1jum h LYS 177 N -0.35 0.78 0.48 0.81 1.63 -0.67 -1.88 116.57 117.37 1jum h LYS 177 Ca 0.03 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1jum h LYS 177 Cb 0.38 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1jum h LYS 177 CO -0.12 0.52 -0.42 0.35 -3.45 0.00 0.00 179.45 176.33 1jum h PHE 178 N 0.81 -1.16 -1.04 1.91 3.57 -0.12 -1.07 116.94 119.83 1jum h PHE 178 Ca 0.28 0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.15 1jum h PHE 178 Cb 0.06 0.44 -0.15 0.00 2.79 0.00 0.00 35.95 39.09 1jum h PHE 178 CO -0.05 -0.58 0.60 0.77 -2.23 0.00 0.00 178.31 176.82 1jum h SER 179 N -0.88 0.42 -0.04 0.41 0.02 -0.31 0.01 113.55 113.18 1jum h SER 179 Ca -0.06 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1jum h SER 179 Cb 0.75 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1jum h SER 179 CO -0.02 -0.23 -0.04 -0.61 -1.14 0.00 0.00 176.83 174.79 1jum h GLN 180 N 0.20 0.10 -0.16 3.45 4.15 -0.72 -0.09 115.11 122.04 1jum h GLN 180 Ca 0.78 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 60.19 1jum h GLN 180 Cb 1.96 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.60 1jum h GLN 180 CO -0.62 0.58 -0.17 0.82 -1.93 0.00 0.00 178.83 177.50 1jum h ILE 181 N -0.37 0.54 0.00 2.39 1.08 0.21 -0.90 117.51 120.46 1jum h ILE 181 Ca 0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1jum h ILE 181 Cb 0.56 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1jum h ILE 181 CO 0.01 0.00 -0.29 0.15 -0.69 0.00 0.00 178.15 177.33 1jum h PHE 182 N -0.20 0.00 -0.00 1.37 3.04 -1.17 0.01 116.94 119.98 1jum h PHE 182 Ca 0.11 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.91 1jum h PHE 182 Cb 0.36 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.88 1jum h PHE 182 CO -0.30 0.29 -0.57 1.25 -2.02 0.00 0.00 178.31 176.96 1jum h LEU 183 N 0.00 0.51 -0.19 0.59 5.85 -0.40 -3.24 115.31 118.43 1jum h LEU 183 Ca -0.00 -0.76 0.02 0.00 0.84 0.00 0.00 57.88 57.98 1jum h LEU 183 Cb 0.59 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1jum h LEU 183 CO 0.04 1.20 0.05 0.78 -0.34 0.00 0.00 178.44 180.16 1jum h ASN 184 N -0.13 0.03 -1.27 1.25 -0.26 -0.90 -1.85 115.58 112.45 1jum h ASN 184 Ca -0.07 0.02 0.45 0.00 -0.56 0.00 0.00 56.30 56.14 1jum h ASN 184 Cb 1.29 0.03 -0.15 0.00 -1.06 0.00 0.00 38.32 38.43 1jum h ASN 184 CO 0.11 0.05 0.79 1.23 -1.06 0.00 0.00 177.43 178.55 1jum h GLY 185 N 0.13 1.59 -5.58 2.83 0.00 -1.02 -2.62 103.07 98.39 1jum h GLY 185 Ca 0.08 -0.12 -0.70 0.00 0.00 0.00 0.00 47.33 46.59 1jum h GLY 185 CO -0.10 -0.53 3.30 1.04 0.00 0.00 0.00 176.54 180.25 1jum n LEU 186 N -4.85 7.76 0.00 3.11 4.77 -0.70 -5.10 117.00 121.99 1jum n LEU 186 Ca 0.39 -4.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.03 1jum n LEU 186 Cb 1.44 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1jum n LEU 186 CO 0.15 1.62 0.00 -0.24 -1.33 0.00 0.00 177.39 177.59