#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jum n LEU 3 N 0.00 0.00 0.18 1.20 -0.00 -1.26 -4.45 117.00 112.67 1jum n LEU 3 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1jum n LEU 3 Cb 0.00 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 44.17 1jum n LEU 3 CO 0.00 -0.35 1.13 0.07 -0.00 0.00 0.00 177.39 178.25 1jum h LYS 4 N 0.00 0.00 -0.07 1.96 5.09 -2.00 0.73 116.57 122.29 1jum h LYS 4 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jum h LYS 4 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1jum h LYS 4 CO 0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 1jum n ASP 5 N -4.17 1.72 -0.18 7.07 8.00 -1.26 -3.27 116.55 124.46 1jum n ASP 5 Ca 0.02 -1.61 0.06 0.00 0.71 0.00 0.00 54.79 53.97 1jum n ASP 5 Cb 0.31 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1jum n ASP 5 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1jum n LYS 6 N 0.34 2.32 -0.03 -1.24 3.00 0.24 -3.95 118.16 118.85 1jum n LYS 6 Ca 0.18 -0.42 -0.01 0.00 -0.00 0.00 0.00 58.31 58.06 1jum n LYS 6 Cb 0.37 -1.13 -0.00 0.00 0.00 0.00 0.00 35.03 34.27 1jum n LYS 6 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1jum h ILE 7 N 0.87 0.00 -1.08 3.15 2.04 -1.10 -3.17 117.51 118.21 1jum h ILE 7 Ca 0.00 -0.46 0.31 0.00 1.00 0.00 0.00 64.86 65.71 1jum h ILE 7 Cb 0.38 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 1jum h ILE 7 CO 0.00 0.00 0.67 -0.07 0.00 0.00 0.00 178.15 178.75 1jum h LEU 8 N -0.46 0.46 -1.19 1.44 3.38 -1.79 1.29 115.31 118.45 1jum h LEU 8 Ca 0.00 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1jum h LEU 8 Cb 0.10 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1jum h LEU 8 CO 0.00 -0.02 0.57 1.23 0.09 0.00 0.00 178.44 180.31 1jum h GLY 9 N 0.35 1.28 1.28 0.83 0.00 -1.69 0.72 103.07 105.85 1jum h GLY 9 Ca 0.69 -0.38 -0.29 0.00 0.00 0.00 0.00 47.33 47.34 1jum h GLY 9 CO -0.43 0.23 -1.50 -2.08 0.00 0.00 0.00 176.54 172.76 1jum h VAL 10 N 0.92 1.17 0.83 4.60 2.07 0.16 -3.30 116.25 122.70 1jum h VAL 10 Ca 0.40 -2.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.03 1jum h VAL 10 Cb 0.34 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1jum h VAL 10 CO -0.16 0.79 -0.40 0.00 0.02 0.00 0.00 177.57 177.82 1jum h ALA 11 N 0.62 -1.11 -0.20 1.67 0.00 -0.66 -0.55 119.26 119.03 1jum h ALA 11 Ca -0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1jum h ALA 11 Cb 1.98 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.18 1jum h ALA 11 CO 0.14 -1.04 -0.12 1.17 0.00 0.00 0.00 179.25 179.40 1jum n LYS 12 N -5.52 -0.09 -0.20 0.00 4.81 0.21 0.39 118.16 117.77 1jum n LYS 12 Ca -0.14 0.72 -0.03 0.00 -0.87 0.00 0.00 58.31 57.99 1jum n LYS 12 Cb 0.44 -1.08 0.07 0.00 0.02 0.00 0.00 35.03 34.49 1jum n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jum h GLU 13 N 0.00 0.59 -0.48 1.64 4.22 -1.63 -1.93 114.58 116.99 1jum h GLU 13 Ca 0.03 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.46 1jum h GLU 13 Cb 0.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1jum h GLU 13 CO -0.19 0.39 0.27 -0.07 -2.18 0.00 0.00 179.01 177.23 1jum h LEU 14 N 0.60 0.43 -0.34 1.64 4.07 0.16 0.47 115.31 122.35 1jum h LEU 14 Ca 0.26 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 1jum h LEU 14 Cb 0.15 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1jum h LEU 14 CO -0.17 0.30 0.20 -0.26 -1.08 0.00 0.00 178.44 177.44 1jum h PHE 15 N 0.54 0.45 -0.83 1.13 0.05 -0.33 -1.37 116.94 116.59 1jum h PHE 15 Ca 0.20 -0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.04 1jum h PHE 15 Cb 0.05 -0.15 -0.06 0.00 2.00 0.00 0.00 35.95 37.80 1jum h PHE 15 CO -0.08 0.33 0.52 0.82 -0.18 0.00 0.00 178.31 179.72 1jum h ILE 16 N 0.44 1.06 0.00 -0.55 2.04 -0.78 -2.66 117.51 117.06 1jum h ILE 16 Ca 0.12 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1jum h ILE 16 Cb 0.02 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1jum h ILE 16 CO -0.02 0.18 0.00 1.17 0.00 0.00 0.00 178.15 179.47 1jum n LYS 17 N -4.62 0.00 -0.01 2.37 4.81 0.11 -4.70 118.16 116.12 1jum n LYS 17 Ca 0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1jum n LYS 17 Cb 0.15 -0.54 -0.05 0.00 0.02 0.00 0.00 35.03 34.61 1jum n LYS 17 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1jum h ASN 18 N 0.00 0.13 -3.83 3.14 2.35 -1.40 -3.50 115.58 112.46 1jum h ASN 18 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1jum h ASN 18 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1jum h ASN 18 CO 0.00 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.51 1jum n GLY 19 N -1.05 0.87 0.19 2.83 0.00 -1.00 -4.48 105.19 102.55 1jum n GLY 19 Ca -0.05 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1jum n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jum h TYR 20 N 0.00 0.75 0.00 1.61 3.20 -1.84 -3.23 116.97 117.46 1jum h TYR 20 Ca 0.00 -0.34 -0.08 0.00 3.14 0.00 0.00 58.73 61.46 1jum h TYR 20 Cb 0.00 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1jum h TYR 20 CO 0.00 1.13 -0.49 -0.91 -1.64 0.00 0.00 178.16 176.25 1jum h ASN 21 N 0.37 0.00 -0.75 -2.11 2.35 -1.96 -3.35 115.58 110.13 1jum h ASN 21 Ca -0.04 -0.53 0.30 0.00 -0.55 0.00 0.00 56.30 55.47 1jum h ASN 21 Cb 1.37 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.61 1jum h ASN 21 CO 0.14 1.04 0.34 0.00 -1.65 0.00 0.00 177.43 177.30 1jum n ALA 22 N -3.05 0.70 -2.60 -0.83 0.00 -1.26 -3.60 120.51 109.88 1jum n ALA 22 Ca -0.15 0.77 -0.39 0.00 0.00 0.00 0.00 53.44 53.66 1jum n ALA 22 Cb 0.44 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 1jum n ALA 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jum s THR 23 N -5.23 5.16 0.29 0.00 -4.23 -1.22 -4.87 115.64 105.55 1jum s THR 23 Ca -0.07 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1jum s THR 23 Cb 0.25 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1jum s THR 23 CO 0.58 0.11 0.29 0.28 -0.54 0.00 0.00 174.62 175.35 1jum s THR 24 N 2.10 4.14 0.25 3.99 -1.32 -1.24 -4.90 115.64 118.66 1jum s THR 24 Ca 0.15 -1.28 -0.04 0.00 -1.21 0.00 0.00 61.69 59.31 1jum s THR 24 Cb -0.16 -3.38 0.21 0.00 -1.51 0.00 0.00 72.50 67.67 1jum s THR 24 CO 0.10 -0.25 1.75 0.74 -2.21 0.00 0.00 174.62 174.75 1jum h THR 25 N 1.27 0.72 -0.40 5.08 2.02 -1.97 -0.32 112.91 119.31 1jum h THR 25 Ca -0.47 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 66.58 1jum h THR 25 Cb 1.25 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1jum h THR 25 CO 0.59 0.10 0.13 1.23 0.37 0.00 0.00 175.52 177.93 1jum h GLY 26 N 0.52 0.51 0.00 2.16 0.00 -1.99 -2.60 103.07 101.66 1jum h GLY 26 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1jum h GLY 26 CO -0.36 0.02 0.00 1.18 0.00 0.00 0.00 176.54 177.37 1jum n GLU 27 N -5.02 0.00 0.00 4.80 -0.58 -0.17 -0.58 120.64 119.09 1jum n GLU 27 Ca 0.02 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1jum n GLU 27 Cb 0.15 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1jum n GLU 27 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1jum n ILE 28 N -1.40 0.00 -0.29 -3.67 5.41 -0.99 -0.53 119.36 117.89 1jum n ILE 28 Ca 0.00 0.83 0.11 0.00 1.00 0.00 0.00 62.75 64.69 1jum n ILE 28 Cb 0.00 -1.15 0.27 0.00 -0.71 0.00 0.00 39.64 38.05 1jum n ILE 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1jum h VAL 29 N 0.00 0.42 0.00 1.39 2.07 -1.47 0.21 116.25 118.87 1jum h VAL 29 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1jum h VAL 29 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1jum h VAL 29 CO 0.00 0.05 0.00 1.17 0.02 0.00 0.00 177.57 178.81 1jum n LYS 30 N -5.15 0.00 0.00 1.57 0.00 0.31 -1.18 118.16 113.72 1jum n LYS 30 Ca 0.20 0.38 0.01 0.00 0.00 0.00 0.00 58.31 58.89 1jum n LYS 30 Cb 0.62 -1.29 0.04 0.00 0.00 0.00 0.00 35.03 34.40 1jum n LYS 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1jum n LEU 31 N -1.50 0.00 -0.96 3.14 4.32 -0.68 0.42 117.00 121.75 1jum n LEU 31 Ca 0.00 0.17 0.12 0.00 -0.02 0.00 0.00 56.01 56.28 1jum n LEU 31 Cb 0.00 -0.17 0.17 0.00 -1.62 0.00 0.00 43.42 41.80 1jum n LEU 31 CO 0.00 -0.16 0.67 -0.24 -1.22 0.00 0.00 177.39 176.44 1jum n SER 32 N -1.17 2.96 -3.42 -1.43 2.88 0.71 -4.96 113.62 109.20 1jum n SER 32 Ca 0.01 -1.95 -0.24 0.00 -1.33 0.00 0.00 58.87 55.36 1jum n SER 32 Cb 0.01 -0.07 -0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1jum n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jum n GLU 33 N 1.26 -3.55 -4.66 -1.46 4.71 0.17 -4.85 120.64 112.26 1jum n GLU 33 Ca 0.16 0.50 -0.30 0.00 -0.01 0.00 0.00 57.16 57.51 1jum n GLU 33 Cb 0.57 -5.22 -0.10 0.00 -1.01 0.00 0.00 31.44 25.69 1jum n GLU 33 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1jum s SER 34 N -2.78 3.85 -0.01 1.62 0.15 -0.32 -5.06 113.70 111.16 1jum s SER 34 Ca 0.43 -1.50 -0.14 0.00 0.70 0.00 0.00 55.95 55.44 1jum s SER 34 Cb -0.22 0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 1jum s SER 34 CO 0.53 -0.64 0.38 -0.55 1.20 0.00 0.00 173.24 174.15 1jum s SER 35 N -3.76 6.76 0.11 5.45 0.15 -1.26 -4.66 113.70 116.48 1jum s SER 35 Ca 0.23 0.90 0.05 0.00 0.70 0.00 0.00 55.95 57.83 1jum s SER 35 Cb 0.06 -2.23 0.28 0.00 -1.71 0.00 0.00 66.02 62.43 1jum s SER 35 CO 0.12 0.33 1.05 2.29 1.20 0.00 0.00 173.24 178.22 1jum n LYS 36 N 1.79 0.03 0.05 5.44 2.85 -1.26 -0.93 118.16 126.14 1jum n LYS 36 Ca -0.14 0.44 -0.20 0.00 -1.05 0.00 0.00 58.31 57.36 1jum n LYS 36 Cb 0.53 -1.77 -0.14 0.00 -0.65 0.00 0.00 35.03 32.99 1jum n LYS 36 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1jum h GLY 37 N 0.00 0.35 -0.95 2.58 0.00 -2.02 -3.36 103.07 99.67 1jum h GLY 37 Ca 0.00 -0.88 0.16 0.00 0.00 0.00 0.00 47.33 46.60 1jum h GLY 37 CO 0.00 0.77 -0.34 0.70 0.00 0.00 0.00 176.54 177.67 1jum n ASN 38 N -3.49 -0.55 -0.21 0.19 4.13 -0.10 0.14 115.26 115.37 1jum n ASN 38 Ca -0.22 1.64 -0.05 0.00 1.68 0.00 0.00 54.58 57.63 1jum n ASN 38 Cb 1.06 -0.41 0.01 0.00 -1.54 0.00 0.00 39.78 38.90 1jum n ASN 38 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1jum h LEU 39 N 0.00 -1.17 -0.61 3.41 -0.00 -1.71 -3.08 115.31 112.16 1jum h LEU 39 Ca 0.36 0.23 0.10 0.00 -0.00 0.00 0.00 57.88 58.57 1jum h LEU 39 Cb 0.59 0.58 -0.11 0.00 -0.00 0.00 0.00 40.66 41.72 1jum h LEU 39 CO -0.95 -0.30 -0.36 0.22 -0.00 0.00 0.00 178.44 177.05 1jum h TYR 40 N -0.16 -1.02 -0.18 1.13 3.20 0.13 0.62 116.97 120.69 1jum h TYR 40 Ca 0.23 0.08 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1jum h TYR 40 Cb 0.55 0.54 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1jum h TYR 40 CO -0.64 -0.39 -0.34 -0.92 -1.64 0.00 0.00 178.16 174.22 1jum h TYR 41 N -0.17 0.70 0.00 -3.82 3.20 -1.58 -3.34 116.97 111.96 1jum h TYR 41 Ca 0.23 -0.25 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1jum h TYR 41 Cb 0.56 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1jum h TYR 41 CO -0.67 0.98 -0.51 1.25 -1.64 0.00 0.00 178.16 177.58 1jum h HIS 42 N 0.21 0.00 -3.15 -3.82 2.76 -1.53 -3.43 115.15 106.19 1jum h HIS 42 Ca 0.01 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 57.43 1jum h HIS 42 Cb 0.94 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 29.66 1jum h HIS 42 CO 0.09 0.71 -0.25 -0.06 -1.30 0.00 0.00 177.93 177.12 1jum s PHE 43 N -2.13 3.25 0.00 5.26 2.99 0.22 -5.02 117.98 122.55 1jum s PHE 43 Ca -0.17 -1.19 0.00 0.00 0.00 0.00 0.00 56.93 55.57 1jum s PHE 43 Cb 0.02 -3.62 0.00 0.00 0.00 0.00 0.00 43.02 39.42 1jum s PHE 43 CO 0.41 -0.96 0.00 1.17 -0.00 0.00 0.00 175.22 175.84 1jum n LYS 44 N 5.23 0.00 -1.55 0.44 3.00 -1.25 -3.48 118.16 120.56 1jum n LYS 44 Ca -0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.00 1jum n LYS 44 Cb 0.41 -0.24 0.11 0.00 0.00 0.00 0.00 35.03 35.31 1jum n LYS 44 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1jum n THR 45 N 0.00 0.00 0.01 3.15 5.66 -1.26 -4.44 114.28 117.40 1jum n THR 45 Ca 0.00 -0.83 -0.09 0.00 -3.05 0.00 0.00 64.05 60.09 1jum n THR 45 Cb 0.00 -1.39 -0.13 0.00 -1.55 0.00 0.00 70.33 67.25 1jum n THR 45 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1jum h LYS 46 N 0.00 0.02 0.00 1.09 3.11 -1.99 -2.91 116.57 115.89 1jum h LYS 46 Ca -0.25 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1jum h LYS 46 Cb 0.79 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1jum h LYS 46 CO 0.22 0.69 0.00 1.05 -2.81 0.00 0.00 179.45 178.60 1jum h GLU 47 N 0.00 0.00 -0.01 1.90 4.11 -1.99 -2.32 114.58 116.27 1jum h GLU 47 Ca -0.20 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.10 1jum h GLU 47 Cb 1.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.20 1jum h GLU 47 CO 0.10 0.00 -0.50 -0.97 0.07 0.00 0.00 179.01 177.71 1jum h ASN 48 N 0.00 0.46 0.00 3.06 -1.24 -1.93 0.10 115.58 116.04 1jum h ASN 48 Ca 0.00 -0.75 -0.00 0.00 0.71 0.00 0.00 56.30 56.26 1jum h ASN 48 Cb 0.53 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 1jum h ASN 48 CO 0.00 1.15 -0.00 0.25 -1.29 0.00 0.00 177.43 177.54 1jum h LEU 49 N -0.19 0.00 0.00 0.34 5.85 -1.23 -0.65 115.31 119.44 1jum h LEU 49 Ca -0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jum h LEU 49 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1jum h LEU 49 CO 0.10 0.00 -0.24 0.15 -0.34 0.00 0.00 178.44 178.11 1jum h PHE 50 N 0.00 0.01 0.00 1.25 3.04 -1.38 -2.87 116.94 116.99 1jum h PHE 50 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1jum h PHE 50 Cb 0.00 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1jum h PHE 50 CO 0.00 1.09 0.00 -0.11 -2.02 0.00 0.00 178.31 177.27 1jum n LEU 51 N -4.57 0.21 -0.05 0.59 7.94 0.34 -2.22 117.00 119.23 1jum n LEU 51 Ca -0.14 0.58 -0.02 0.00 -1.11 0.00 0.00 56.01 55.33 1jum n LEU 51 Cb 0.52 -0.60 -0.01 0.00 0.53 0.00 0.00 43.42 43.87 1jum n LEU 51 CO 0.31 -0.59 -0.12 -0.08 -1.11 0.00 0.00 177.39 175.80 1jum h GLU 52 N 0.00 0.00 -0.05 1.96 4.57 -1.13 -3.31 114.58 116.62 1jum h GLU 52 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1jum h GLU 52 Cb 0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1jum h GLU 52 CO 0.00 0.00 0.45 0.82 -1.18 0.00 0.00 179.01 179.10 1jum h ILE 53 N -0.95 0.03 0.05 2.32 2.04 -1.23 0.24 117.51 120.01 1jum h ILE 53 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jum h ILE 53 Cb 0.17 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1jum h ILE 53 CO 0.00 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.05 1jum h LEU 54 N 0.00 -0.06 -0.96 1.44 3.38 -1.54 -1.08 115.31 116.49 1jum h LEU 54 Ca 0.02 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1jum h LEU 54 Cb 0.93 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1jum h LEU 54 CO -0.00 0.43 0.00 0.78 0.09 0.00 0.00 178.44 179.74 1jum h ASN 55 N -0.57 0.73 0.11 -0.43 4.21 -1.06 0.36 115.58 118.93 1jum h ASN 55 Ca -0.01 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1jum h ASN 55 Cb 0.50 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.49 1jum h ASN 55 CO 0.01 0.79 -0.28 0.40 -1.29 0.00 0.00 177.43 177.07 1jum h ILE 56 N 0.71 0.00 -0.09 2.81 1.08 -1.36 0.24 117.51 120.90 1jum h ILE 56 Ca 0.14 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 1jum h ILE 56 Cb 0.43 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 1jum h ILE 56 CO 0.02 0.00 -0.29 -0.33 -0.69 0.00 0.00 178.15 176.86 1jum h GLU 57 N -0.43 -0.37 -0.99 2.37 4.39 -0.79 -0.99 114.58 117.77 1jum h GLU 57 Ca -0.01 0.03 0.26 0.00 0.34 0.00 0.00 59.36 59.98 1jum h GLU 57 Cb 0.42 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1jum h GLU 57 CO -0.12 -0.25 0.68 0.93 -1.16 0.00 0.00 179.01 179.09 1jum h GLU 58 N -0.38 0.20 0.11 2.33 4.39 -0.08 -1.43 114.58 119.73 1jum h GLU 58 Ca 0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1jum h GLU 58 Cb 0.51 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1jum h GLU 58 CO -0.31 0.14 -0.05 0.77 -1.16 0.00 0.00 179.01 178.39 1jum h SER 59 N 0.21 -0.13 -0.99 1.42 0.02 0.17 -2.26 113.55 111.99 1jum h SER 59 Ca 0.51 0.00 0.28 0.00 -0.84 0.00 0.00 61.79 61.74 1jum h SER 59 Cb 1.62 0.03 -0.18 0.00 0.14 0.00 0.00 62.40 64.01 1jum h SER 59 CO -0.13 0.33 0.06 0.11 -1.14 0.00 0.00 176.83 176.06 1jum h LYS 60 N -0.99 0.01 -0.10 3.45 1.57 -0.85 0.34 116.57 119.99 1jum h LYS 60 Ca -0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1jum h LYS 60 Cb 0.11 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1jum h LYS 60 CO 0.03 0.01 -0.03 2.35 -0.57 0.00 0.00 179.45 181.23 1jum h TRP 61 N 0.01 0.23 -0.15 -1.35 -0.00 -1.38 -1.92 115.95 111.40 1jum h TRP 61 Ca 0.62 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 59.49 1jum h TRP 61 Cb 1.30 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 30.39 1jum h TRP 61 CO -0.47 0.53 0.11 0.37 -0.00 0.00 0.00 178.44 178.99 1jum h GLN 62 N -0.13 0.00 0.20 2.65 5.75 0.10 0.18 115.11 123.87 1jum h GLN 62 Ca 0.03 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1jum h GLN 62 Cb 0.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1jum h GLN 62 CO 0.01 0.00 -0.10 1.49 -2.65 0.00 0.00 178.83 177.58 1jum h GLU 63 N 0.00 -0.26 -0.99 1.69 4.81 -0.43 -3.08 114.58 116.31 1jum h GLU 63 Ca 0.07 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.55 1jum h GLU 63 Cb 0.30 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.65 1jum h GLU 63 CO -0.00 0.04 0.64 0.37 -0.73 0.00 0.00 179.01 179.33 1jum h GLN 64 N -0.99 0.46 -0.58 1.92 4.15 -0.77 0.13 115.11 119.43 1jum h GLN 64 Ca -0.03 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1jum h GLN 64 Cb 0.43 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1jum h GLN 64 CO 0.05 0.30 0.30 2.35 -1.93 0.00 0.00 178.83 179.90 1jum h TRP 65 N 0.47 0.81 -0.49 3.99 -0.00 -1.02 -2.74 115.95 116.97 1jum h TRP 65 Ca 0.55 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 59.36 1jum h TRP 65 Cb 1.29 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.17 1jum h TRP 65 CO -0.00 0.60 0.10 0.87 -0.00 0.00 0.00 178.44 180.01 1jum h LYS 66 N 0.78 0.79 0.00 2.65 1.57 -0.67 0.12 116.57 121.81 1jum h LYS 66 Ca 0.20 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1jum h LYS 66 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1jum h LYS 66 CO -0.03 0.78 -0.09 0.87 -0.57 0.00 0.00 179.45 180.41 1jum h LYS 67 N 0.67 0.00 0.00 3.15 1.57 -1.26 -3.01 116.57 117.69 1jum h LYS 67 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1jum h LYS 67 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jum h LYS 67 CO 0.01 0.09 -1.58 0.39 -0.57 0.00 0.00 179.45 177.78 1jum n GLU 68 N -3.56 0.71 0.00 3.15 1.02 -1.05 -4.51 120.64 116.40 1jum n GLU 68 Ca -0.02 -0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.01 1jum n GLU 68 Cb 0.21 -1.37 0.09 0.00 -0.02 0.00 0.00 31.44 30.35 1jum n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jum n GLN 69 N -1.96 0.14 0.05 3.49 10.64 0.38 -1.38 117.38 128.76 1jum n GLN 69 Ca -0.02 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.02 1jum n GLN 69 Cb 0.40 -1.32 -0.14 0.00 -0.86 0.00 0.00 30.24 28.33 1jum n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jum h ILE 70 N 0.00 1.28 -1.08 -0.39 1.08 -1.79 -3.18 117.51 113.43 1jum h ILE 70 Ca 0.00 -2.97 0.29 0.00 -0.39 0.00 0.00 64.86 61.79 1jum h ILE 70 Cb 0.00 2.74 -0.08 0.00 -3.07 0.00 0.00 36.82 36.40 1jum h ILE 70 CO 0.00 0.81 0.72 0.11 -0.69 0.00 0.00 178.15 179.10 1jum h LYS 71 N 0.04 0.26 -5.59 2.37 6.56 -1.56 -3.32 116.57 115.32 1jum h LYS 71 Ca -0.18 -0.02 -0.64 0.00 -1.06 0.00 0.00 60.65 58.75 1jum h LYS 71 Cb 1.94 -0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 33.40 1jum h LYS 71 CO 0.14 0.17 0.24 0.00 -2.06 0.00 0.00 179.45 177.94 1jum s ALA 72 N -5.33 3.32 -0.00 3.86 0.00 -1.20 -4.97 121.76 117.44 1jum s ALA 72 Ca -0.08 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.54 1jum s ALA 72 Cb 0.25 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.84 1jum s ALA 72 CO 0.80 -1.85 1.04 0.87 0.00 0.00 0.00 175.76 176.61 1jum h LYS 73 N 8.92 -0.66 -7.18 0.00 1.57 -1.85 -3.43 116.57 113.94 1jum h LYS 73 Ca -0.25 0.05 -0.45 0.00 -1.87 0.00 0.00 60.65 58.12 1jum h LYS 73 Cb 1.09 0.15 0.07 0.00 0.08 0.00 0.00 32.23 33.62 1jum h LYS 73 CO 0.93 -0.37 0.16 0.95 -0.57 0.00 0.00 179.45 180.54 1jum s THR 74 N -4.34 2.37 0.04 -0.16 -4.23 -1.26 -4.95 115.64 103.11 1jum s THR 74 Ca -0.13 -0.38 0.20 0.00 -1.18 0.00 0.00 61.69 60.20 1jum s THR 74 Cb 0.01 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 71.03 1jum s THR 74 CO 0.42 0.00 1.68 0.78 -0.54 0.00 0.00 174.62 176.96 1jum h ASN 75 N -0.44 0.00 -0.23 3.99 -0.26 -1.91 -0.99 115.58 115.73 1jum h ASN 75 Ca -0.43 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.17 1jum h ASN 75 Cb 1.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.56 1jum h ASN 75 CO 0.57 0.34 -0.35 -0.09 -1.06 0.00 0.00 177.43 176.84 1jum h ARG 76 N 0.00 0.76 -0.25 0.81 2.43 -1.93 -1.22 114.38 114.98 1jum h ARG 76 Ca -0.00 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.72 1jum h ARG 76 Cb 0.99 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1jum h ARG 76 CO 0.04 0.99 -0.13 0.93 -1.51 0.00 0.00 179.97 180.30 1jum h GLU 77 N 0.63 0.52 -0.83 0.20 5.08 -1.87 -2.75 114.58 115.57 1jum h GLU 77 Ca 0.06 -0.24 0.21 0.00 -1.00 0.00 0.00 59.36 58.39 1jum h GLU 77 Cb 0.89 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1jum h GLU 77 CO 0.08 0.79 0.57 0.87 -1.00 0.00 0.00 179.01 180.32 1jum h LYS 78 N 0.24 0.22 0.69 2.33 1.57 -0.83 -1.64 116.57 119.16 1jum h LYS 78 Ca 0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1jum h LYS 78 Cb 0.64 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jum h LYS 78 CO 0.04 0.15 -0.33 0.35 -0.57 0.00 0.00 179.45 179.09 1jum h PHE 79 N 0.23 -0.86 -0.50 -1.35 3.57 -0.93 -0.98 116.94 116.13 1jum h PHE 79 Ca 0.42 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.00 1jum h PHE 79 Cb 1.28 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 40.20 1jum h PHE 79 CO -0.00 -0.51 -0.22 1.88 -2.23 0.00 0.00 178.31 177.23 1jum h TYR 80 N -1.17 -0.56 -0.14 0.41 0.05 -1.35 -2.47 116.97 111.75 1jum h TYR 80 Ca -0.09 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.76 1jum h TYR 80 Cb 0.74 0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1jum h TYR 80 CO 0.00 -0.30 -0.02 1.25 -1.05 0.00 0.00 178.16 178.04 1jum h LEU 81 N -0.11 -0.09 0.09 3.88 5.85 -1.33 0.55 115.31 124.15 1jum h LEU 81 Ca 0.23 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1jum h LEU 81 Cb 0.47 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1jum h LEU 81 CO -0.57 -0.03 -0.29 0.22 -0.34 0.00 0.00 178.44 177.43 1jum h TYR 82 N 0.02 -0.80 -0.55 1.25 3.20 -0.88 0.24 116.97 119.45 1jum h TYR 82 Ca 0.06 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1jum h TYR 82 Cb 0.09 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1jum h TYR 82 CO -0.16 -0.40 0.27 -0.91 -1.64 0.00 0.00 178.16 175.32 1jum h ASN 83 N -0.50 0.37 0.49 -2.11 -0.26 -1.25 -1.48 115.58 110.85 1jum h ASN 83 Ca 0.04 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1jum h ASN 83 Cb 0.54 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.75 1jum h ASN 83 CO -0.19 0.25 -0.48 -0.33 -1.06 0.00 0.00 177.43 175.61 1jum h GLU 84 N 0.51 -0.94 -0.92 0.81 5.08 0.83 -2.88 114.58 117.07 1jum h GLU 84 Ca 0.25 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 1jum h GLU 84 Cb 0.19 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 1jum h GLU 84 CO -0.19 -0.63 0.59 -0.07 -1.00 0.00 0.00 179.01 177.72 1jum h LEU 85 N -0.98 0.80 -0.95 1.33 -0.00 -0.41 -2.47 115.31 112.64 1jum h LEU 85 Ca -0.06 0.03 0.28 0.00 -0.00 0.00 0.00 57.88 58.13 1jum h LEU 85 Cb 0.85 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.24 1jum h LEU 85 CO -0.06 0.45 0.41 0.28 -0.00 0.00 0.00 178.44 179.52 1jum h SER 86 N 0.87 0.28 -0.59 -0.43 0.02 -1.04 0.38 113.55 113.05 1jum h SER 86 Ca 0.45 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.52 1jum h SER 86 Cb 0.50 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1jum h SER 86 CO -0.21 -0.13 0.12 -0.07 -1.14 0.00 0.00 176.83 175.39 1jum h LEU 87 N 0.28 0.94 0.00 5.07 3.38 -1.49 -3.24 115.31 120.25 1jum h LEU 87 Ca 0.65 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1jum h LEU 87 Cb 1.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1jum h LEU 87 CO -0.62 0.93 -0.84 0.35 0.09 0.00 0.00 178.44 178.35 1jum n THR 88 N -4.23 0.25 -0.47 0.22 -2.24 0.11 -4.98 114.28 102.93 1jum n THR 88 Ca 0.04 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.29 1jum n THR 88 Cb 0.27 0.06 0.23 0.00 -2.10 0.00 0.00 70.33 68.78 1jum n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jum n THR 89 N -2.02 0.00 -0.09 4.28 -1.04 -0.09 -4.95 114.28 110.38 1jum n THR 89 Ca 0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1jum n THR 89 Cb 0.44 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1jum n THR 89 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1jum n GLU 90 N -3.77 1.80 -3.86 -2.82 0.28 -1.26 -4.90 120.64 106.10 1jum n GLU 90 Ca 0.05 -0.26 -0.33 0.00 -0.16 0.00 0.00 57.16 56.46 1jum n GLU 90 Cb 0.54 -0.74 -0.05 0.00 1.43 0.00 0.00 31.44 32.63 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 -0.33 3.55 0.00 -1.84 4.12 -1.26 -4.72 117.35 116.87 1jum s TYR 91 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 57.07 57.49 1jum s TYR 91 Cb 0.00 -1.86 0.00 0.00 -1.52 0.00 0.00 41.96 38.58 1jum s TYR 91 CO 0.00 0.62 0.00 0.98 0.02 0.00 0.00 175.55 177.17 1jum n TYR 92 N 0.83 0.00 -0.30 2.71 4.19 -1.26 -4.15 117.16 119.17 1jum n TYR 92 Ca -0.09 0.00 0.28 0.00 3.31 0.00 0.00 57.90 61.39 1jum n TYR 92 Cb 0.52 0.00 0.49 0.00 0.49 0.00 0.00 39.34 40.84 1jum n TYR 92 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jum n TYR 93 N 0.00 0.74 -0.03 2.98 4.01 -1.26 -1.77 117.16 121.84 1jum n TYR 93 Ca 0.00 0.75 -0.08 0.00 -0.16 0.00 0.00 57.90 58.40 1jum n TYR 93 Cb 0.00 -1.16 -0.02 0.00 -0.31 0.00 0.00 39.34 37.84 1jum n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jum h PRO 94 N 0.00 -0.16 -2.42 -0.72 0.11 -1.85 -2.67 132.00 124.30 1jum h PRO 94 Ca 0.67 0.01 -0.72 0.00 0.11 0.00 0.00 66.00 66.07 1jum h PRO 94 Cb 1.97 0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.94 1jum h PRO 94 CO -0.49 -0.10 1.76 1.47 -0.21 0.00 0.00 178.00 180.42 1jum n LEU 95 N -5.31 7.65 0.03 2.35 -0.00 -0.73 -4.18 117.00 116.82 1jum n LEU 95 Ca -0.02 -4.88 -0.01 0.00 -0.00 0.00 0.00 56.01 51.11 1jum n LEU 95 Cb 0.22 -1.29 -0.09 0.00 -0.00 0.00 0.00 43.42 42.27 1jum n LEU 95 CO 0.20 2.00 -0.33 1.67 -0.00 0.00 0.00 177.39 180.93 1jum n GLN 96 N 1.10 0.62 0.08 1.47 -0.06 -1.01 -3.40 117.38 116.19 1jum n GLN 96 Ca 0.57 0.23 -0.13 0.00 -2.00 0.00 0.00 57.00 55.67 1jum n GLN 96 Cb 0.29 -1.80 -0.09 0.00 -4.06 0.00 0.00 30.24 24.59 1jum n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1jum h ASN 97 N 0.00 -0.18 -0.86 1.69 2.35 -1.83 -2.56 115.58 114.19 1jum h ASN 97 Ca -0.18 -0.28 0.21 0.00 -0.55 0.00 0.00 56.30 55.50 1jum h ASN 97 Cb 1.63 0.05 -0.12 0.00 0.05 0.00 0.00 38.32 39.92 1jum h ASN 97 CO 0.05 0.21 0.33 0.00 -1.65 0.00 0.00 177.43 176.37 1jum h ALA 98 N 0.16 1.31 0.04 -0.83 0.00 -1.87 -0.99 119.26 117.07 1jum h ALA 98 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jum h ALA 98 Cb 0.45 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jum h ALA 98 CO 0.03 -0.35 -0.04 0.82 0.00 0.00 0.00 179.25 179.71 1jum h ILE 99 N 0.35 0.00 -0.98 0.00 1.08 -1.52 -0.12 117.51 116.32 1jum h ILE 99 Ca 0.53 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 65.16 1jum h ILE 99 Cb 0.99 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.58 1jum h ILE 99 CO -0.54 0.00 -0.35 -0.38 -0.69 0.00 0.00 178.15 176.19 1jum n ILE 100 N -2.49 -0.49 0.30 -0.67 5.41 -0.68 0.02 119.36 120.77 1jum n ILE 100 Ca -0.01 2.28 -0.18 0.00 1.00 0.00 0.00 62.75 65.85 1jum n ILE 100 Cb 0.03 -3.05 -0.09 0.00 -0.71 0.00 0.00 39.64 35.82 1jum n ILE 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1jum h GLU 101 N 0.00 -0.96 -0.09 0.38 4.81 -1.13 -2.45 114.58 115.15 1jum h GLU 101 Ca 0.37 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1jum h GLU 101 Cb 0.61 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1jum h GLU 101 CO -0.98 -0.64 0.09 0.35 -0.73 0.00 0.00 179.01 177.10 1jum h PHE 102 N -1.00 0.00 -0.01 0.92 3.04 0.96 -1.51 116.94 119.34 1jum h PHE 102 Ca -0.07 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.62 1jum h PHE 102 Cb 0.85 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.38 1jum h PHE 102 CO -0.23 0.00 -1.01 -0.92 -2.02 0.00 0.00 178.31 174.13 1jum h TYR 103 N 0.00 1.04 0.00 0.41 5.03 -0.02 -2.85 116.97 120.59 1jum h TYR 103 Ca 0.04 -0.56 0.00 0.00 2.58 0.00 0.00 58.73 60.79 1jum h TYR 103 Cb 0.22 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.38 1jum h TYR 103 CO 0.00 1.39 0.00 0.25 -1.32 0.00 0.00 178.16 178.48 1jum n THR 104 N -3.88 0.12 0.47 1.81 -2.24 -0.85 -1.16 114.28 108.56 1jum n THR 104 Ca -0.11 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1jum n THR 104 Cb 0.87 -0.58 0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1jum n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jum n GLU 105 N -1.30 1.90 -0.15 -0.78 2.13 -0.63 -4.42 120.64 117.39 1jum n GLU 105 Ca 0.12 -1.82 0.00 0.00 0.66 0.00 0.00 57.16 56.12 1jum n GLU 105 Cb 0.22 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 1.07 0.00 0.34 4.31 4.02 -1.09 -4.90 117.16 120.92 1jum n TYR 106 Ca 0.13 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.17 1jum n TYR 106 Cb 0.48 0.06 0.58 0.00 -0.02 0.00 0.00 39.34 40.45 1jum n TYR 106 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 1jum h TYR 107 N 0.00 0.00 -0.12 -0.72 -0.00 -1.35 -2.76 116.97 112.02 1jum h TYR 107 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1jum h TYR 107 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.80 1jum h TYR 107 CO -0.01 0.00 0.01 1.63 -0.00 0.00 0.00 178.16 179.78 1jum n LYS 108 N -2.63 1.72 -4.52 0.10 5.02 -1.26 -4.80 118.16 111.78 1jum n LYS 108 Ca 0.01 -0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 55.44 1jum n LYS 108 Cb 0.26 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.57 1jum n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jum s THR 109 N -1.29 0.79 -0.04 -0.18 -4.23 -1.04 -5.10 115.64 104.55 1jum s THR 109 Ca 0.11 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1jum s THR 109 Cb 0.08 -2.43 -0.18 0.00 1.34 0.00 0.00 72.50 71.31 1jum s THR 109 CO 0.03 0.00 0.22 -3.20 -0.54 0.00 0.00 174.62 171.13 1jum n ASN 110 N -1.16 2.16 0.00 3.99 4.05 -1.26 -4.29 115.26 118.75 1jum n ASN 110 Ca -0.06 0.00 0.01 0.00 0.45 0.00 0.00 54.58 54.98 1jum n ASN 110 Cb 0.66 1.41 0.07 0.00 1.23 0.00 0.00 39.78 43.14 1jum n ASN 110 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jum n SER 111 N -2.03 0.00 0.00 1.20 2.88 -1.26 -2.72 113.62 111.69 1jum n SER 111 Ca -0.06 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1jum n SER 111 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1jum n SER 111 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1jum n ILE 112 N -0.69 0.00 -0.07 2.46 2.08 -1.26 -3.63 119.36 118.25 1jum n ILE 112 Ca 0.02 0.18 0.09 0.00 0.56 0.00 0.00 62.75 63.60 1jum n ILE 112 Cb 0.01 -0.65 0.46 0.00 -0.75 0.00 0.00 39.64 38.71 1jum n ILE 112 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1jum h ASN 113 N 0.00 0.44 -0.16 4.38 2.35 -1.82 1.33 115.58 122.10 1jum h ASN 113 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1jum h ASN 113 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1jum h ASN 113 CO 0.00 0.28 0.11 -0.33 -1.65 0.00 0.00 177.43 175.84 1jum h GLU 114 N 0.50 0.13 0.00 0.81 4.39 -1.71 -2.93 114.58 115.76 1jum h GLU 114 Ca 0.25 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1jum h GLU 114 Cb 0.34 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1jum h GLU 114 CO -0.07 0.09 -1.22 1.63 -1.16 0.00 0.00 179.01 178.27 1jum n LYS 115 N -4.51 0.54 0.29 2.33 4.76 -0.25 -4.39 118.16 116.92 1jum n LYS 115 Ca -0.00 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 1jum n LYS 115 Cb 0.14 -1.11 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1jum n LYS 115 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 1jum h MET 116 N 0.00 -0.72 -0.72 1.97 4.05 0.17 -2.04 114.93 117.63 1jum h MET 116 Ca -0.01 0.05 0.21 0.00 -0.28 0.00 0.00 59.70 59.66 1jum h MET 116 Cb 0.34 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1jum h MET 116 CO 0.00 -0.48 0.76 -0.91 0.23 0.00 0.00 176.91 176.51 1jum h ASN 117 N -0.90 0.00 -0.16 1.39 4.21 -1.72 1.15 115.58 119.55 1jum h ASN 117 Ca -0.08 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.38 1jum h ASN 117 Cb 0.58 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 1jum h ASN 117 CO 0.13 0.00 -0.09 0.07 -1.29 0.00 0.00 177.43 176.24 1jum h LYS 118 N 0.00 0.35 0.00 0.81 2.10 -1.64 -0.69 116.57 117.50 1jum h LYS 118 Ca 0.34 -0.16 -0.07 0.00 -2.00 0.00 0.00 60.65 58.76 1jum h LYS 118 Cb 1.87 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.18 1jum h LYS 118 CO -0.00 0.68 -0.34 -0.07 -2.00 0.00 0.00 179.45 177.71 1jum h LEU 119 N 0.02 0.00 -0.18 7.07 3.38 0.17 -2.99 115.31 122.78 1jum h LEU 119 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jum h LEU 119 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1jum h LEU 119 CO 0.03 0.34 0.00 -0.08 0.09 0.00 0.00 178.44 178.82 1jum h GLU 120 N 0.00 0.00 0.00 1.13 4.81 0.51 -2.50 114.58 118.53 1jum h GLU 120 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1jum h GLU 120 Cb 1.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1jum h GLU 120 CO 0.04 0.00 -1.25 0.09 -0.73 0.00 0.00 179.01 177.16 1jum n ASN 121 N -2.79 0.85 -0.03 1.04 3.02 -0.28 -2.62 115.26 114.44 1jum n ASN 121 Ca 0.04 0.36 -0.16 0.00 -0.03 0.00 0.00 54.58 54.79 1jum n ASN 121 Cb 0.46 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.83 1jum n ASN 121 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jum h LYS 122 N 0.00 0.48 0.24 3.52 3.64 -1.49 -3.05 116.57 119.91 1jum h LYS 122 Ca -0.10 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1jum h LYS 122 Cb 1.34 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1jum h LYS 122 CO 0.03 1.01 -0.16 -0.92 -2.27 0.00 0.00 179.45 177.14 1jum h TYR 123 N 0.07 -0.44 0.00 1.91 3.20 -1.54 -2.75 116.97 117.42 1jum h TYR 123 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1jum h TYR 123 Cb 1.09 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1jum h TYR 123 CO 0.11 -0.24 0.00 0.44 -1.64 0.00 0.00 178.16 176.84 1jum n ILE 124 N -3.26 0.00 -0.13 1.81 -0.00 -1.08 -3.32 119.36 113.39 1jum n ILE 124 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.58 1jum n ILE 124 Cb 0.16 -0.64 -0.02 0.00 -0.00 0.00 0.00 39.64 39.14 1jum n ILE 124 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1jum h ASP 125 N 0.00 0.92 -1.01 7.28 3.58 -1.36 -3.05 116.42 122.78 1jum h ASP 125 Ca 0.00 -0.44 0.28 0.00 0.42 0.00 0.00 57.03 57.29 1jum h ASP 125 Cb 0.00 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 40.74 1jum h ASP 125 CO 0.00 1.16 0.70 0.00 -2.88 0.00 0.00 179.24 178.23 1jum h ALA 126 N 0.79 2.73 0.01 -0.78 0.00 -1.71 0.17 119.26 120.47 1jum h ALA 126 Ca 0.07 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1jum h ALA 126 Cb 0.86 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1jum h ALA 126 CO 0.08 -1.05 -1.25 1.88 0.00 0.00 0.00 179.25 178.91 1jum h TYR 127 N 0.12 0.02 -0.42 0.00 0.05 -1.81 -3.14 116.97 111.80 1jum h TYR 127 Ca 0.50 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.35 1jum h TYR 127 Cb 1.76 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.43 1jum h TYR 127 CO -0.00 1.02 -0.06 1.25 -1.05 0.00 0.00 178.16 179.32 1jum h HIS 128 N 0.00 -0.14 -0.14 4.88 2.76 -0.55 -0.09 115.15 121.88 1jum h HIS 128 Ca -0.11 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 1jum h HIS 128 Cb 1.86 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 30.94 1jum h HIS 128 CO 0.00 -0.14 -0.09 0.28 -1.30 0.00 0.00 177.93 176.68 1jum h VAL 129 N 0.04 1.33 -0.06 5.26 2.07 -1.62 0.21 116.25 123.48 1jum h VAL 129 Ca 0.20 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1jum h VAL 129 Cb 0.31 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1jum h VAL 129 CO -0.39 0.34 0.04 0.40 0.02 0.00 0.00 177.57 177.98 1jum h ILE 130 N -0.04 0.98 0.09 4.57 2.04 -1.44 0.21 117.51 123.91 1jum h ILE 130 Ca 0.03 -0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.58 1jum h ILE 130 Cb 0.58 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1jum h ILE 130 CO 0.03 0.00 -1.63 -0.26 0.00 0.00 0.00 178.15 176.29 1jum h PHE 131 N 0.01 0.36 0.21 1.37 0.04 -0.91 -3.01 116.94 115.01 1jum h PHE 131 Ca 0.03 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.55 1jum h PHE 131 Cb 0.10 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1jum h PHE 131 CO -0.00 1.64 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.79 1jum h LYS 132 N -0.32 -0.60 -0.45 1.51 1.63 -0.28 -1.92 116.57 116.15 1jum h LYS 132 Ca -0.37 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.55 1jum h LYS 132 Cb 1.77 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 33.47 1jum h LYS 132 CO 0.01 -0.40 0.08 1.49 -3.45 0.00 0.00 179.45 177.17 1jum h GLU 133 N -0.62 0.20 -1.08 1.90 4.57 -0.77 0.10 114.58 118.88 1jum h GLU 133 Ca 0.01 -0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.47 1jum h GLU 133 Cb 0.61 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.08 1jum h GLU 133 CO -0.15 0.13 0.72 0.78 -1.18 0.00 0.00 179.01 179.32 1jum h GLY 134 N 0.21 0.86 0.63 1.92 0.00 -1.23 1.70 103.07 107.15 1jum h GLY 134 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1jum h GLY 134 CO -0.30 -0.11 -0.20 3.43 0.00 0.00 0.00 176.54 179.37 1jum h ASN 135 N 0.27 -0.48 -0.20 0.19 2.35 -0.13 -0.70 115.58 116.87 1jum h ASN 135 Ca 0.59 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 56.28 1jum h ASN 135 Cb 1.74 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 40.17 1jum h ASN 135 CO -0.21 -0.08 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.24 1jum h LEU 136 N -0.94 -0.55 -2.40 1.61 4.07 -0.43 -2.05 115.31 114.62 1jum h LEU 136 Ca -0.06 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1jum h LEU 136 Cb 0.56 0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 1jum h LEU 136 CO 0.09 -0.21 0.09 -1.13 -1.08 0.00 0.00 178.44 176.20 1jum h ASN 137 N -0.18 0.00 0.00 -0.43 -1.24 0.24 -3.46 115.58 110.51 1jum h ASN 137 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1jum h ASN 137 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1jum h ASN 137 CO -0.31 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 1jum n GLY 138 N -1.34 1.29 0.16 1.57 0.00 -0.35 -4.92 105.19 101.62 1jum n GLY 138 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.15 -3.61 1.61 1.02 -0.74 -4.82 120.64 112.25 1jum n GLU 139 Ca 0.00 0.62 0.04 0.00 -0.02 0.00 0.00 57.16 57.80 1jum n GLU 139 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 -3.54 -0.00 -0.15 -0.32 -2.14 -1.13 -5.04 118.94 106.62 1jum s TRP 140 Ca -0.02 -0.00 -0.01 0.00 2.66 0.00 0.00 56.10 58.73 1jum s TRP 140 Cb 0.07 0.50 0.04 0.00 -3.10 0.00 0.00 33.47 30.97 1jum s TRP 140 CO 0.22 -0.00 -0.05 0.45 -2.66 0.00 0.00 176.95 174.90 1jum s SER 141 N -3.12 2.67 -0.13 -2.66 0.15 -1.26 -3.67 113.70 105.68 1jum s SER 141 Ca 0.17 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1jum s SER 141 Cb 0.07 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 1jum s SER 141 CO -0.06 -0.18 -0.12 -0.63 1.20 0.00 0.00 173.24 173.45 1jum s ILE 142 N 1.66 1.33 -0.07 6.45 -1.09 -1.26 -4.89 121.20 123.34 1jum s ILE 142 Ca 0.02 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 1jum s ILE 142 Cb -0.15 -1.28 -0.30 0.00 -1.58 0.00 0.00 42.46 39.16 1jum s ILE 142 CO -0.08 0.42 0.60 0.78 -1.23 0.00 0.00 174.94 175.43 1jum h ASN 143 N 8.00 0.57 -0.35 3.58 4.21 -1.99 -3.37 115.58 126.23 1jum h ASN 143 Ca -0.34 -0.94 -0.10 0.00 1.21 0.00 0.00 56.30 56.14 1jum h ASN 143 Cb 1.14 -0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 38.10 1jum h ASN 143 CO 0.48 1.79 0.12 -0.90 -1.29 0.00 0.00 177.43 177.63 1jum n ASP 144 N -3.61 3.28 0.00 5.81 3.85 -1.26 -4.80 116.55 119.83 1jum n ASP 144 Ca -0.26 -2.56 0.00 0.00 -0.71 0.00 0.00 54.79 51.26 1jum n ASP 144 Cb 1.06 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1jum n ASP 144 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1jum n VAL 145 N 0.07 0.00 -0.20 2.12 0.31 -1.26 0.24 118.33 119.61 1jum n VAL 145 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.57 1jum n VAL 145 Cb 0.84 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 34.09 1jum n VAL 145 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1jum h ASN 146 N 0.00 0.71 0.71 4.52 -0.73 -1.94 0.20 115.58 119.05 1jum h ASN 146 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1jum h ASN 146 Cb 0.00 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.44 1jum h ASN 146 CO 0.00 0.47 -0.34 0.00 -0.37 0.00 0.00 177.43 177.19 1jum h ALA 147 N 1.59 -0.97 -0.88 1.57 0.00 0.26 -2.87 119.26 117.96 1jum h ALA 147 Ca 0.31 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1jum h ALA 147 Cb 0.20 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1jum h ALA 147 CO -0.10 -0.90 0.45 0.28 0.00 0.00 0.00 179.25 178.97 1jum h VAL 148 N -1.23 0.64 0.09 0.00 2.07 -1.13 -0.63 116.25 116.06 1jum h VAL 148 Ca -0.10 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1jum h VAL 148 Cb 0.73 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1jum h VAL 148 CO 0.16 0.10 -0.12 0.28 0.02 0.00 0.00 177.57 178.01 1jum h SER 149 N 0.56 -0.32 -0.53 0.57 0.02 -0.62 0.14 113.55 113.38 1jum h SER 149 Ca 0.51 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.59 1jum h SER 149 Cb 0.83 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 1jum h SER 149 CO -0.42 -0.18 0.12 0.11 -1.14 0.00 0.00 176.83 175.32 1jum h LYS 150 N -0.25 0.25 0.18 3.45 1.57 -0.93 0.05 116.57 120.90 1jum h LYS 150 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jum h LYS 150 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1jum h LYS 150 CO -0.05 0.17 -0.09 0.82 -0.57 0.00 0.00 179.45 179.72 1jum h ILE 151 N 0.26 0.89 -0.28 1.86 2.04 -0.85 -2.76 117.51 118.66 1jum h ILE 151 Ca 0.27 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1jum h ILE 151 Cb 0.36 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1jum h ILE 151 CO -0.34 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.03 1jum h ALA 152 N 0.39 0.34 -0.54 1.87 0.00 -0.48 -1.22 119.26 119.61 1jum h ALA 152 Ca -0.02 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1jum h ALA 152 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jum h ALA 152 CO 0.04 -0.25 0.37 0.00 0.00 0.00 0.00 179.25 179.41 1jum h ALA 153 N 1.15 2.09 0.05 0.00 0.00 -0.97 -0.39 119.26 121.19 1jum h ALA 153 Ca 0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1jum h ALA 153 Cb 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1jum h ALA 153 CO -0.08 -0.22 -1.78 -0.91 0.00 0.00 0.00 179.25 176.26 1jum h ASN 154 N 0.31 0.18 -0.15 0.00 -0.26 -1.15 -2.16 115.58 112.35 1jum h ASN 154 Ca 0.25 -0.38 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1jum h ASN 154 Cb 0.57 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1jum h ASN 154 CO -0.06 1.34 0.08 0.00 -1.06 0.00 0.00 177.43 177.73 1jum h ALA 155 N 0.64 0.19 -0.86 -0.83 0.00 -0.92 -0.97 119.26 116.51 1jum h ALA 155 Ca -0.32 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jum h ALA 155 Cb 2.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1jum h ALA 155 CO 0.09 -0.27 0.57 0.28 0.00 0.00 0.00 179.25 179.92 1jum h VAL 156 N 0.15 1.20 0.00 0.00 2.07 -1.18 -0.17 116.25 118.31 1jum h VAL 156 Ca 0.05 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1jum h VAL 156 Cb 0.07 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1jum h VAL 156 CO -0.01 0.21 -0.11 -1.13 0.02 0.00 0.00 177.57 176.55 1jum h ASN 157 N 1.14 0.00 0.13 0.57 -0.00 -0.90 -0.92 115.58 115.59 1jum h ASN 157 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.62 1jum h ASN 157 Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.23 1jum h ASN 157 CO -0.08 0.11 -0.06 1.23 -0.00 0.00 0.00 177.43 178.63 1jum h GLY 158 N 1.83 -0.18 0.60 1.57 0.00 0.31 -1.97 103.07 105.23 1jum h GLY 158 Ca -0.00 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.47 1jum h GLY 158 CO 0.01 -0.06 0.40 -2.22 0.00 0.00 0.00 176.54 174.67 1jum h ILE 159 N -0.82 0.93 -0.40 2.60 2.04 -1.04 0.35 117.51 121.18 1jum h ILE 159 Ca -0.02 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1jum h ILE 159 Cb 0.55 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jum h ILE 159 CO 0.03 0.13 0.09 0.58 0.00 0.00 0.00 178.15 178.98 1jum h VAL 160 N 0.72 1.23 0.00 1.67 2.07 -1.22 -3.29 116.25 117.43 1jum h VAL 160 Ca 0.34 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1jum h VAL 160 Cb 0.27 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1jum h VAL 160 CO -0.22 0.28 -0.20 0.74 0.02 0.00 0.00 177.57 178.20 1jum h THR 161 N 0.50 1.58 -0.26 2.57 2.02 -0.58 -3.35 112.91 115.39 1jum h THR 161 Ca 0.12 -1.97 -0.11 0.00 0.77 0.00 0.00 66.41 65.22 1jum h THR 161 Cb 0.33 2.85 -0.06 0.00 -1.74 0.00 0.00 68.15 69.53 1jum h THR 161 CO 0.00 0.53 0.14 0.49 0.37 0.00 0.00 175.52 177.05 1jum n PHE 162 N -4.55 0.83 -0.77 3.16 3.72 0.12 -3.36 117.46 116.62 1jum n PHE 162 Ca -0.10 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 1jum n PHE 162 Cb 0.49 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1jum n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jum n THR 163 N 0.06 0.03 -2.00 4.37 -2.24 -1.24 -5.00 114.28 108.26 1jum n THR 163 Ca 0.15 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 1jum n THR 163 Cb 0.76 1.65 -0.06 0.00 -2.10 0.00 0.00 70.33 70.58 1jum n THR 163 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jum s HIS 164 N -0.03 1.77 0.00 4.78 5.04 -1.21 -2.54 115.29 123.10 1jum s HIS 164 Ca 0.00 0.76 0.00 0.00 -1.54 0.00 0.00 55.06 54.28 1jum s HIS 164 Cb 0.00 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.66 1jum s HIS 164 CO 0.00 -1.58 0.00 -0.85 -2.34 0.00 0.00 174.74 169.97 1jum n GLU 165 N 8.70 0.00 -3.46 2.88 -0.00 -1.26 -5.15 120.64 122.36 1jum n GLU 165 Ca 0.42 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 57.32 1jum n GLU 165 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.88 1jum n GLU 165 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1jum s GLN 166 N 0.00 3.52 -0.35 3.44 -2.07 -1.05 -4.98 119.66 118.17 1jum s GLN 166 Ca 0.00 -0.29 -0.33 0.00 -1.82 0.00 0.00 55.36 52.93 1jum s GLN 166 Cb 0.00 -2.71 -0.14 0.00 -1.09 0.00 0.00 33.01 29.07 1jum s GLN 166 CO 0.00 0.23 1.18 -1.71 -1.32 0.00 0.00 175.29 173.67 1jum n ASN 167 N -1.36 0.80 0.12 12.60 2.85 -1.26 -4.78 115.26 124.23 1jum n ASN 167 Ca -0.04 0.78 0.19 0.00 -0.11 0.00 0.00 54.58 55.39 1jum n ASN 167 Cb 0.55 -0.62 0.63 0.00 1.24 0.00 0.00 39.78 41.58 1jum n ASN 167 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1jum h ILE 168 N 3.72 0.16 0.00 -1.44 6.09 -1.96 0.85 117.51 124.93 1jum h ILE 168 Ca -0.27 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.02 1jum h ILE 168 Cb 0.97 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 1jum h ILE 168 CO 0.70 0.00 -1.14 0.78 -3.07 0.00 0.00 178.15 175.42 1jum h ASN 169 N 0.00 0.00 0.71 2.19 -0.26 -2.01 -3.23 115.58 112.98 1jum h ASN 169 Ca 0.19 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.84 1jum h ASN 169 Cb 1.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.69 1jum h ASN 169 CO -0.00 0.81 -0.39 -0.08 -1.06 0.00 0.00 177.43 176.71 1jum h GLU 170 N 0.00 0.00 0.12 0.81 4.81 -1.16 -2.01 114.58 117.15 1jum h GLU 170 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jum h GLU 170 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1jum h GLU 170 CO 0.09 0.39 -0.06 0.00 -0.73 0.00 0.00 179.01 178.70 1jum h ARG 171 N 0.00 -0.16 -0.87 1.92 2.47 -1.59 0.34 114.38 116.49 1jum h ARG 171 Ca -0.00 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.81 1jum h ARG 171 Cb 0.85 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.15 1jum h ARG 171 CO 0.05 0.17 0.56 0.82 0.56 0.00 0.00 179.97 182.14 1jum h ILE 172 N -0.51 1.01 0.64 2.04 1.08 -1.53 0.73 117.51 120.96 1jum h ILE 172 Ca -0.02 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 1jum h ILE 172 Cb 0.41 0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1jum h ILE 172 CO 0.03 0.17 -0.31 0.11 -0.69 0.00 0.00 178.15 177.46 1jum h LYS 173 N 0.91 -0.82 -0.67 2.37 1.79 -1.04 -1.95 116.57 117.16 1jum h LYS 173 Ca 0.39 0.06 0.08 0.00 -2.18 0.00 0.00 60.65 59.00 1jum h LYS 173 Cb 0.31 0.19 -0.11 0.00 -1.58 0.00 0.00 32.23 31.04 1jum h LYS 173 CO -0.15 -0.55 -0.51 -0.07 -1.08 0.00 0.00 179.45 177.09 1jum h LEU 174 N -1.13 -1.77 -1.44 2.94 3.38 0.40 0.10 115.31 117.79 1jum h LEU 174 Ca -0.09 0.27 0.23 0.00 0.09 0.00 0.00 57.88 58.38 1jum h LEU 174 Cb 0.65 0.78 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1jum h LEU 174 CO 0.14 -0.32 0.63 -0.03 0.09 0.00 0.00 178.44 178.95 1jum h MET 175 N -0.20 0.41 0.00 1.13 4.05 0.41 -0.65 114.93 120.08 1jum h MET 175 Ca 0.16 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.44 1jum h MET 175 Cb 0.54 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1jum h MET 175 CO -0.75 0.27 -0.54 -0.91 0.23 0.00 0.00 176.91 175.20 1jum h ASN 176 N 0.42 0.00 0.88 1.39 2.35 -0.01 -0.80 115.58 119.81 1jum h ASN 176 Ca 0.52 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.09 1jum h ASN 176 Cb 1.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 1jum h ASN 176 CO -0.23 0.54 -0.86 0.50 -1.65 0.00 0.00 177.43 175.74 1jum h LYS 177 N 0.00 0.00 0.49 0.81 1.63 -0.30 -2.90 116.57 116.30 1jum h LYS 177 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1jum h LYS 177 Cb 1.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1jum h LYS 177 CO 0.07 0.86 -0.23 0.35 -3.45 0.00 0.00 179.45 177.04 1jum h PHE 178 N 0.00 -0.61 -1.19 1.91 3.57 -1.10 -0.74 116.94 118.79 1jum h PHE 178 Ca -0.01 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.82 1jum h PHE 178 Cb 1.53 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.42 1jum h PHE 178 CO 0.00 -0.30 0.91 0.77 -2.23 0.00 0.00 178.31 177.46 1jum h SER 179 N -1.07 0.00 0.12 0.41 0.02 -1.19 0.46 113.55 112.29 1jum h SER 179 Ca -0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1jum h SER 179 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1jum h SER 179 CO 0.11 0.00 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.13 1jum h GLN 180 N 0.00 -0.15 -0.95 3.45 4.15 -1.33 -2.71 115.11 117.57 1jum h GLN 180 Ca 0.56 0.01 0.28 0.00 0.77 0.00 0.00 58.65 60.28 1jum h GLN 180 Cb 2.38 0.03 -0.14 0.00 0.21 0.00 0.00 27.48 29.96 1jum h GLN 180 CO -0.01 -0.06 0.44 0.82 -1.93 0.00 0.00 178.83 178.09 1jum h ILE 181 N -1.04 0.32 0.23 2.39 1.08 0.54 -0.69 117.51 120.34 1jum h ILE 181 Ca -0.02 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1jum h ILE 181 Cb 0.16 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1jum h ILE 181 CO 0.03 0.05 -0.11 0.15 -0.69 0.00 0.00 178.15 177.58 1jum h PHE 182 N 0.29 -0.29 0.00 1.37 3.57 -1.09 -2.07 116.94 118.73 1jum h PHE 182 Ca 0.66 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.14 1jum h PHE 182 Cb 1.42 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 1jum h PHE 182 CO -0.11 0.07 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.91 1jum h LEU 183 N -0.71 0.00 -0.11 0.59 3.38 -1.11 -1.56 115.31 115.80 1jum h LEU 183 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1jum h LEU 183 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jum h LEU 183 CO 0.05 0.05 -0.75 -1.13 0.09 0.00 0.00 178.44 176.76 1jum h ASN 184 N 0.00 0.84 0.49 -0.43 -1.24 -1.00 -3.00 115.58 111.25 1jum h ASN 184 Ca -0.00 -0.66 0.00 0.00 0.71 0.00 0.00 56.30 56.35 1jum h ASN 184 Cb 0.15 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1jum h ASN 184 CO 0.01 1.37 0.00 1.23 -1.29 0.00 0.00 177.43 178.75 1jum h GLY 185 N 0.38 0.00 1.68 1.57 0.00 -0.55 -2.90 103.07 103.24 1jum h GLY 185 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 1jum h GLY 185 CO 0.15 0.00 -1.18 1.41 0.00 0.00 0.00 176.54 176.92 1jum h LEU 186 N 0.00 0.37 -1.40 3.11 3.38 -1.36 -3.52 115.31 115.90 1jum h LEU 186 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jum h LEU 186 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jum h LEU 186 CO 0.00 1.29 0.00 -1.54 0.09 0.00 0.00 178.44 178.28