#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aus s GLN 2 N 0.00 2.39 -0.14 2.12 -0.21 -1.26 -5.11 119.66 117.44 1aus s GLN 2 Ca 0.00 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.40 1aus s GLN 2 Cb 0.00 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 1aus s GLN 2 CO 0.00 0.60 0.58 0.08 -2.12 0.00 0.00 175.29 174.43 1aus s VAL 3 N -0.79 5.09 -0.01 1.09 1.01 -1.26 -5.04 120.40 120.50 1aus s VAL 3 Ca 0.12 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1aus s VAL 3 Cb -0.11 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1aus s VAL 3 CO 0.02 0.22 1.59 0.86 0.00 0.00 0.00 175.10 177.79 1aus s TRP 4 N 1.21 2.29 0.79 5.22 -0.11 -1.26 -4.94 118.94 122.14 1aus s TRP 4 Ca 0.29 0.37 -0.15 0.00 1.22 0.00 0.00 56.10 57.83 1aus s TRP 4 Cb -0.16 -3.87 -0.02 0.00 -1.50 0.00 0.00 33.47 27.92 1aus s TRP 4 CO 0.12 -3.53 0.44 -2.30 -4.62 0.00 0.00 176.95 167.07 1aus n PRO 5 N 6.35 0.13 -0.05 5.86 -0.02 -1.26 -4.97 135.00 141.04 1aus n PRO 5 Ca 0.16 0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1aus n PRO 5 Cb 0.42 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1aus n PRO 5 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1aus n ILE 6 N -2.70 0.67 -3.34 4.25 -0.00 -1.26 -4.90 119.36 112.08 1aus n ILE 6 Ca 0.09 -0.33 -0.38 0.00 -0.00 0.00 0.00 62.75 62.13 1aus n ILE 6 Cb 0.51 -0.85 -0.06 0.00 -0.00 0.00 0.00 39.64 39.25 1aus n ILE 6 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1aus s LEU 7 N -5.24 4.46 -1.53 1.39 1.43 -1.26 -4.33 118.68 113.59 1aus s LEU 7 Ca -0.11 1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 1aus s LEU 7 Cb 0.04 -2.77 0.07 0.00 0.03 0.00 0.00 46.19 43.56 1aus s LEU 7 CO 0.33 0.22 0.67 0.59 0.23 0.00 0.00 176.35 178.39 1aus n ASN 8 N 2.21 -2.24 -1.69 2.29 3.02 -1.26 -4.89 115.26 112.70 1aus n ASN 8 Ca -0.10 -0.96 -0.17 0.00 -0.03 0.00 0.00 54.58 53.32 1aus n ASN 8 Cb 0.51 -3.16 0.08 0.00 -0.61 0.00 0.00 39.78 36.61 1aus n ASN 8 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1aus n LEU 9 N -4.44 4.68 -4.77 3.41 7.99 -1.26 -5.03 117.00 117.58 1aus n LEU 9 Ca -0.11 -4.45 -0.39 0.00 -0.01 0.00 0.00 56.01 51.05 1aus n LEU 9 Cb 0.59 -0.47 -0.00 0.00 -0.11 0.00 0.00 43.42 43.43 1aus n LEU 9 CO 0.79 1.83 0.93 -0.54 -1.51 0.00 0.00 177.39 178.89 1aus s LYS 10 N -3.52 3.82 0.37 3.23 -0.14 -1.26 -5.03 119.74 117.21 1aus s LYS 10 Ca 0.49 2.08 0.08 0.00 -1.36 0.00 0.00 55.97 57.26 1aus s LYS 10 Cb 0.41 -2.62 -0.07 0.00 -1.68 0.00 0.00 37.83 33.88 1aus s LYS 10 CO 0.01 -0.59 -0.01 0.15 -0.76 0.00 0.00 175.35 174.15 1aus s LYS 11 N -2.42 1.95 -0.29 1.68 -0.14 -1.26 -5.08 119.74 114.17 1aus s LYS 11 Ca 0.60 -1.97 0.16 0.00 -1.36 0.00 0.00 55.97 53.40 1aus s LYS 11 Cb -0.36 -1.74 0.48 0.00 -1.68 0.00 0.00 37.83 34.53 1aus s LYS 11 CO 0.45 0.05 1.11 0.66 -0.76 0.00 0.00 175.35 176.86 1aus n TYR 12 N -0.92 1.87 -4.72 3.18 4.02 -1.26 -4.96 117.16 114.36 1aus n TYR 12 Ca -0.05 -2.36 0.00 0.00 -0.01 0.00 0.00 57.90 55.49 1aus n TYR 12 Cb 0.65 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1aus n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1aus n GLU 13 N -0.54 0.00 -1.71 -0.72 -0.58 -1.26 -4.44 120.64 111.39 1aus n GLU 13 Ca 0.21 0.00 -0.64 0.00 -0.42 0.00 0.00 57.16 56.31 1aus n GLU 13 Cb 0.84 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.62 1aus n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1aus n THR 14 N 0.00 0.09 -0.99 2.62 -1.04 -1.26 -1.12 114.28 112.58 1aus n THR 14 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1aus n THR 14 Cb 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1aus n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1aus n LEU 15 N 4.18 0.02 0.00 -4.42 4.77 -1.26 -4.17 117.00 116.12 1aus n LEU 15 Ca 0.28 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1aus n LEU 15 Cb 0.02 -0.04 0.74 0.00 -2.33 0.00 0.00 43.42 41.81 1aus n LEU 15 CO 0.84 -0.01 0.98 -1.54 -1.33 0.00 0.00 177.39 176.33 1aus n SER 16 N -0.00 0.00 -1.00 -1.43 3.41 -0.28 -2.64 113.62 111.69 1aus n SER 16 Ca 0.00 -0.40 0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1aus n SER 16 Cb 0.00 -0.18 0.13 0.00 -0.26 0.00 0.00 64.21 63.90 1aus n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1aus n TYR 17 N -1.18 0.11 -3.59 7.33 4.02 -1.26 -4.81 117.16 117.78 1aus n TYR 17 Ca 0.16 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.90 57.80 1aus n TYR 17 Cb 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.48 1aus n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1aus s LEU 18 N -1.89 4.06 0.67 7.72 1.43 -1.08 -5.06 118.68 124.52 1aus s LEU 18 Ca 0.30 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 1aus s LEU 18 Cb 0.21 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1aus s LEU 18 CO 0.30 -0.34 1.22 -2.84 0.23 0.00 0.00 176.35 174.93 1aus s PRO 19 N -4.13 2.49 0.33 1.29 0.02 -1.26 -4.87 135.00 128.87 1aus s PRO 19 Ca 0.42 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 63.02 1aus s PRO 19 Cb -0.09 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 1aus s PRO 19 CO 0.31 -1.59 0.81 -2.30 -0.33 0.00 0.00 177.00 173.90 1aus n PRO 20 N -2.21 0.93 -2.63 5.54 -0.02 -1.26 -4.88 135.00 130.47 1aus n PRO 20 Ca 0.14 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1aus n PRO 20 Cb 0.50 -1.64 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1aus n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aus s LEU 21 N 1.08 4.54 0.89 2.45 1.43 -1.26 -5.04 118.68 122.78 1aus s LEU 21 Ca 0.61 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.58 1aus s LEU 21 Cb -0.69 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.06 1aus s LEU 21 CO 0.58 -0.07 1.21 0.42 0.23 0.00 0.00 176.35 178.72 1aus s THR 22 N -0.55 1.98 0.32 5.49 -4.23 -1.26 -4.80 115.64 112.59 1aus s THR 22 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1aus s THR 22 Cb -0.27 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1aus s THR 22 CO 0.34 0.00 1.96 0.74 -0.54 0.00 0.00 174.62 177.11 1aus h THR 23 N -1.39 1.14 -0.30 3.99 2.02 -1.98 0.82 112.91 117.20 1aus h THR 23 Ca -0.46 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.23 1aus h THR 23 Cb 1.30 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1aus h THR 23 CO 0.56 0.18 -0.35 0.44 0.37 0.00 0.00 175.52 176.72 1aus h ASP 24 N 1.01 0.83 -0.41 4.18 3.32 -1.99 0.61 116.42 123.97 1aus h ASP 24 Ca 0.32 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1aus h ASP 24 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1aus h ASP 24 CO -0.09 1.15 -0.12 1.56 -1.72 0.00 0.00 179.24 180.02 1aus h GLN 25 N 0.53 0.88 -0.00 3.56 4.20 -1.76 -1.07 115.11 121.44 1aus h GLN 25 Ca 0.04 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.45 1aus h GLN 25 Cb 0.94 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1aus h GLN 25 CO 0.09 0.95 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.09 1aus h LEU 26 N 0.79 -0.09 -1.07 1.46 -0.00 -0.70 -1.06 115.31 114.64 1aus h LEU 26 Ca 0.13 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.09 1aus h LEU 26 Cb 0.63 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.27 1aus h LEU 26 CO 0.04 -0.05 0.62 0.00 -0.00 0.00 0.00 178.44 179.06 1aus h ALA 27 N 0.94 1.47 -0.23 1.53 0.00 -0.50 -1.02 119.26 121.45 1aus h ALA 27 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1aus h ALA 27 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1aus h ALA 27 CO -0.03 0.38 -0.47 0.00 0.00 0.00 0.00 179.25 179.12 1aus h ARG 28 N 1.09 0.59 -0.61 0.00 2.47 -0.48 -1.02 114.38 116.42 1aus h ARG 28 Ca 0.42 -0.33 -0.09 0.00 -1.26 0.00 0.00 59.98 58.72 1aus h ARG 28 Cb 0.23 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1aus h ARG 28 CO -0.17 0.93 0.03 1.96 0.56 0.00 0.00 179.97 183.28 1aus h GLN 29 N 0.47 1.05 -0.08 0.04 1.08 -0.50 -2.05 115.11 115.12 1aus h GLN 29 Ca 0.03 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 1aus h GLN 29 Cb 0.99 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1aus h GLN 29 CO 0.09 1.02 -0.33 0.28 -0.95 0.00 0.00 178.83 178.94 1aus h VAL 30 N 0.95 1.26 0.00 -0.54 2.07 -1.07 -2.68 116.25 116.25 1aus h VAL 30 Ca 0.18 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1aus h VAL 30 Cb 0.52 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1aus h VAL 30 CO 0.03 0.37 -0.47 -0.78 0.02 0.00 0.00 177.57 176.73 1aus h ASP 31 N 0.14 0.00 -0.32 0.57 1.82 -0.65 -2.45 116.42 115.53 1aus h ASP 31 Ca 0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1aus h ASP 31 Cb 0.65 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 1aus h ASP 31 CO 0.05 0.47 0.19 0.22 -1.61 0.00 0.00 179.24 178.57 1aus h TYR 32 N 0.00 0.42 0.17 0.28 3.20 -1.05 0.20 116.97 120.19 1aus h TYR 32 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1aus h TYR 32 Cb 0.93 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1aus h TYR 32 CO 0.00 0.30 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.64 1aus h LEU 33 N 0.41 -0.29 -0.14 2.82 4.07 -1.35 -1.94 115.31 118.90 1aus h LEU 33 Ca 0.12 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.12 1aus h LEU 33 Cb 0.01 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1aus h LEU 33 CO -0.02 -0.19 0.01 -0.07 -1.08 0.00 0.00 178.44 177.09 1aus h LEU 34 N -0.28 -0.03 -2.84 1.67 3.38 -1.29 0.62 115.31 116.53 1aus h LEU 34 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aus h LEU 34 Cb 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1aus h LEU 34 CO 0.00 0.00 -0.00 0.78 0.09 0.00 0.00 178.44 179.32 1aus h ASN 35 N 0.06 0.00 0.04 -0.43 2.35 -0.52 0.14 115.58 117.23 1aus h ASN 35 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1aus h ASN 35 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1aus h ASN 35 CO -0.10 0.00 -0.26 0.59 -1.65 0.00 0.00 177.43 176.02 1aus n ASN 36 N -3.28 1.91 -0.71 5.81 3.02 -0.37 -4.94 115.26 116.70 1aus n ASN 36 Ca -0.03 -1.46 -0.06 0.00 -0.03 0.00 0.00 54.58 53.00 1aus n ASN 36 Cb 0.08 0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1aus n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aus n LYS 37 N 0.14 -0.50 -3.56 3.52 4.76 0.49 -5.04 118.16 117.96 1aus n LYS 37 Ca 0.12 0.32 -0.34 0.00 -2.87 0.00 0.00 58.31 55.55 1aus n LYS 37 Cb 0.45 -4.17 -0.05 0.00 -1.84 0.00 0.00 35.03 29.41 1aus n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1aus s TRP 38 N -2.31 3.55 -0.22 2.13 0.51 0.07 -4.78 118.94 117.88 1aus s TRP 38 Ca 0.00 0.77 -0.18 0.00 -2.12 0.00 0.00 56.10 54.58 1aus s TRP 38 Cb 0.00 -2.16 -0.03 0.00 -0.81 0.00 0.00 33.47 30.47 1aus s TRP 38 CO 0.00 0.47 0.50 0.08 -0.51 0.00 0.00 176.95 177.49 1aus s VAL 39 N -1.50 5.11 0.48 4.03 1.01 0.13 -4.21 120.40 125.46 1aus s VAL 39 Ca 0.36 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 1aus s VAL 39 Cb -0.13 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1aus s VAL 39 CO 0.20 0.16 1.00 -2.84 0.00 0.00 0.00 175.10 173.61 1aus s PRO 40 N 1.81 3.95 -0.04 2.72 0.02 -1.26 -0.93 135.00 141.26 1aus s PRO 40 Ca 0.22 1.18 -0.27 0.00 0.02 0.00 0.00 61.00 62.16 1aus s PRO 40 Cb -0.15 -2.13 0.06 0.00 0.02 0.00 0.00 34.50 32.30 1aus s PRO 40 CO 0.09 -0.28 0.59 0.00 -0.33 0.00 0.00 177.00 177.06 1aus s LEU 42 N -1.21 3.28 0.03 0.00 1.02 -1.26 -0.66 118.68 119.88 1aus s LEU 42 Ca -0.12 -0.20 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1aus s LEU 42 Cb -0.01 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 1aus s LEU 42 CO 0.08 0.22 -0.13 -1.61 0.02 0.00 0.00 176.35 174.94 1aus s GLU 43 N -1.92 0.85 0.03 1.70 2.02 -0.81 -0.38 118.70 120.19 1aus s GLU 43 Ca 0.21 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1aus s GLU 43 Cb -0.11 -0.83 -0.02 0.00 0.10 0.00 0.00 34.13 33.27 1aus s GLU 43 CO 0.13 0.20 0.01 -0.59 0.02 0.00 0.00 175.26 175.03 1aus s PHE 44 N -0.84 0.32 -0.05 1.61 -0.71 -0.13 -1.11 117.98 117.06 1aus s PHE 44 Ca 0.00 -0.67 -0.02 0.00 -1.04 0.00 0.00 56.93 55.20 1aus s PHE 44 Cb -0.08 -0.23 0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1aus s PHE 44 CO 0.01 -0.29 0.09 -2.00 -1.34 0.00 0.00 175.22 171.69 1aus s GLU 45 N -2.47 -0.03 -0.10 1.99 2.56 -0.14 -1.77 118.70 118.75 1aus s GLU 45 Ca -0.06 0.39 0.02 0.00 0.00 0.00 0.00 54.97 55.32 1aus s GLU 45 Cb -0.02 -0.37 -0.24 0.00 2.00 0.00 0.00 34.13 35.50 1aus s GLU 45 CO -0.04 -0.28 0.44 0.25 -0.56 0.00 0.00 175.26 175.07 1aus n THR 46 N 4.97 1.68 0.00 -1.70 -2.24 -1.26 -0.54 114.28 115.20 1aus n THR 46 Ca -0.11 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1aus n THR 46 Cb 0.50 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1aus n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aus n ASP 47 N -3.27 0.00 -4.72 3.42 9.92 -1.26 -4.86 116.55 115.78 1aus n ASP 47 Ca -0.27 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.59 1aus n ASP 47 Cb 1.05 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.49 1aus n ASP 47 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1aus s HIS 48 N 0.00 3.62 -0.42 1.24 -3.43 -1.26 -4.95 115.29 110.09 1aus s HIS 48 Ca 0.00 1.43 0.02 0.00 -0.80 0.00 0.00 55.06 55.71 1aus s HIS 48 Cb 0.00 -2.92 0.49 0.00 -1.43 0.00 0.00 32.58 28.72 1aus s HIS 48 CO 0.00 0.07 1.83 0.41 -2.00 0.00 0.00 174.74 175.06 1aus n GLY 49 N 2.97 4.40 3.30 -1.38 0.00 -1.26 -4.92 105.19 108.30 1aus n GLY 49 Ca 0.01 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 1aus n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aus s PHE 50 N -2.82 1.47 0.38 1.61 -0.12 -1.26 -4.97 117.98 112.27 1aus s PHE 50 Ca 0.48 -0.77 -0.26 0.00 -0.05 0.00 0.00 56.93 56.34 1aus s PHE 50 Cb 0.40 -0.77 -0.09 0.00 -0.63 0.00 0.00 43.02 41.93 1aus s PHE 50 CO 0.06 0.10 1.14 0.08 -0.05 0.00 0.00 175.22 176.55 1aus s VAL 51 N -3.28 3.30 0.36 -2.49 1.01 -1.26 -4.69 120.40 113.36 1aus s VAL 51 Ca 0.22 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1aus s VAL 51 Cb 0.03 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1aus s VAL 51 CO 0.05 0.11 0.62 -0.72 0.00 0.00 0.00 175.10 175.16 1aus s TYR 52 N -1.42 0.63 -0.29 5.22 1.13 -0.26 -5.00 117.35 117.36 1aus s TYR 52 Ca 0.55 -1.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 1aus s TYR 52 Cb -0.29 0.34 0.09 0.00 -1.10 0.00 0.00 41.96 41.00 1aus s TYR 52 CO 0.37 -1.33 0.09 1.03 -2.51 0.00 0.00 175.55 173.20 1aus s ARG 53 N -2.74 0.61 -0.14 -3.49 0.52 -1.26 0.25 118.95 112.71 1aus s ARG 53 Ca 0.23 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1aus s ARG 53 Cb -0.03 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 1aus s ARG 53 CO 0.16 -0.93 -0.16 -1.91 0.02 0.00 0.00 175.30 172.49 1aus n GLU 54 N 4.96 0.32 0.08 3.54 2.13 -1.26 -4.82 120.64 125.58 1aus n GLU 54 Ca -0.04 0.11 0.12 0.00 0.66 0.00 0.00 57.16 58.00 1aus n GLU 54 Cb 0.43 -1.12 0.07 0.00 0.27 0.00 0.00 31.44 31.09 1aus n GLU 54 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1aus h HIS 55 N -0.29 0.00 -2.67 4.31 3.86 -1.99 -3.48 115.15 114.89 1aus h HIS 55 Ca -0.34 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.90 1aus h HIS 55 Cb 1.38 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.72 1aus h HIS 55 CO -0.02 0.00 0.32 -1.58 0.86 0.00 0.00 177.93 177.51 1aus s HIS 56 N -3.27 -0.47 0.00 2.45 2.46 -1.26 -5.09 115.29 110.12 1aus s HIS 56 Ca 0.03 0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.88 1aus s HIS 56 Cb 0.12 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 33.11 1aus s HIS 56 CO 0.76 -0.72 0.46 0.09 -2.47 0.00 0.00 174.74 172.86 1aus n ASN 57 N -0.27 0.81 -4.75 9.88 3.02 -1.26 -4.83 115.26 117.86 1aus n ASN 57 Ca -0.14 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 52.93 1aus n ASN 57 Cb 0.63 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.91 1aus n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aus s SER 58 N -0.18 4.08 0.16 6.41 1.04 -1.26 -4.92 113.70 119.02 1aus s SER 58 Ca 0.00 1.68 -0.34 0.00 0.48 0.00 0.00 55.95 57.77 1aus s SER 58 Cb 0.00 -2.37 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1aus s SER 58 CO 0.00 -2.28 1.47 -2.65 0.98 0.00 0.00 173.24 170.76 1aus n PRO 59 N -3.67 1.84 -0.54 4.02 -0.02 -1.26 -2.12 135.00 133.25 1aus n PRO 59 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1aus n PRO 59 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1aus n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aus n GLY 60 N 2.91 1.35 3.68 -1.23 0.00 -1.26 -5.01 105.19 105.64 1aus n GLY 60 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1aus n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aus s TYR 61 N -3.33 3.35 -0.01 1.61 6.14 -0.90 -5.07 117.35 119.15 1aus s TYR 61 Ca 0.00 0.29 -0.07 0.00 0.64 0.00 0.00 57.07 57.93 1aus s TYR 61 Cb 0.00 -2.25 0.00 0.00 0.42 0.00 0.00 41.96 40.13 1aus s TYR 61 CO 0.00 0.14 0.15 0.71 0.64 0.00 0.00 175.55 177.18 1aus s TYR 62 N 0.84 -0.00 0.24 4.97 2.02 -1.26 -4.75 117.35 119.41 1aus s TYR 62 Ca 0.09 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1aus s TYR 62 Cb -0.13 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.37 1aus s TYR 62 CO 0.03 -0.26 0.38 -0.51 -1.57 0.00 0.00 175.55 173.62 1aus s ASP 63 N -1.14 6.32 0.00 2.29 1.01 0.14 -4.54 116.67 120.75 1aus s ASP 63 Ca -0.12 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1aus s ASP 63 Cb -0.06 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1aus s ASP 63 CO 0.01 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1aus n GLY 64 N -1.29 0.75 0.13 0.21 0.00 -1.26 -1.10 105.19 102.63 1aus n GLY 64 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1aus n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aus h ARG 65 N 3.23 0.36 -6.52 1.61 3.08 -1.89 -3.41 114.38 110.84 1aus h ARG 65 Ca 0.00 -0.62 -0.52 0.00 0.07 0.00 0.00 59.98 58.91 1aus h ARG 65 Cb 0.00 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1aus h ARG 65 CO 0.00 1.30 0.33 0.71 -1.07 0.00 0.00 179.97 181.23 1aus s TYR 66 N -2.50 3.80 0.00 3.04 2.02 -1.26 -5.05 117.35 117.40 1aus s TYR 66 Ca -0.14 1.75 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1aus s TYR 66 Cb 0.03 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 1aus s TYR 66 CO 0.85 0.22 0.00 0.91 -1.57 0.00 0.00 175.55 175.96 1aus n TRP 67 N 2.79 -0.69 -4.70 2.71 7.02 -1.26 -5.10 117.44 118.21 1aus n TRP 67 Ca 0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.16 1aus n TRP 67 Cb 0.49 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.25 1aus n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1aus s THR 68 N -0.17 3.34 0.16 -0.99 -1.32 -0.73 -4.90 115.64 111.03 1aus s THR 68 Ca 0.00 -0.58 -0.31 0.00 -1.21 0.00 0.00 61.69 59.59 1aus s THR 68 Cb 0.00 -2.39 -0.11 0.00 -1.51 0.00 0.00 72.50 68.49 1aus s THR 68 CO 0.00 0.54 1.75 -0.32 -2.21 0.00 0.00 174.62 174.38 1aus s MET 69 N -0.06 4.14 -0.52 7.08 1.75 -1.26 -0.96 119.30 129.46 1aus s MET 69 Ca -0.01 2.56 -0.22 0.00 -1.25 0.00 0.00 55.69 56.77 1aus s MET 69 Cb -0.14 -3.33 0.04 0.00 2.84 0.00 0.00 34.83 34.25 1aus s MET 69 CO 0.03 -0.78 0.81 -0.46 -0.65 0.00 0.00 175.02 173.98 1aus s TRP 70 N 1.91 2.91 0.00 4.11 -0.11 0.49 -4.89 118.94 123.35 1aus s TRP 70 Ca 0.77 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.92 1aus s TRP 70 Cb -0.47 -3.83 0.00 0.00 -1.50 0.00 0.00 33.47 27.67 1aus s TRP 70 CO 0.34 -1.19 0.00 1.63 -4.62 0.00 0.00 176.95 173.10 1aus n LYS 71 N 6.92 0.00 -4.18 5.86 5.02 -1.26 -4.39 118.16 126.13 1aus n LYS 71 Ca -0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1aus n LYS 71 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 1aus n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aus s LEU 72 N 0.00 2.02 0.55 -0.35 1.43 -1.26 -5.07 118.68 116.00 1aus s LEU 72 Ca 0.00 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 51.72 1aus s LEU 72 Cb 0.00 0.13 -0.05 0.00 0.03 0.00 0.00 46.19 46.30 1aus s LEU 72 CO 0.00 -0.64 1.35 -2.65 0.23 0.00 0.00 176.35 174.64 1aus n PRO 73 N -0.13 1.68 -2.16 1.29 -0.02 -1.26 -4.80 135.00 129.60 1aus n PRO 73 Ca -0.07 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1aus n PRO 73 Cb 0.63 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1aus n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1aus n MET 74 N -0.99 3.55 -1.75 -0.52 2.81 0.19 -5.00 117.12 115.40 1aus n MET 74 Ca 0.10 -3.30 -0.40 0.00 -1.81 0.00 0.00 57.70 52.29 1aus n MET 74 Cb 0.45 -2.97 0.02 0.00 -0.71 0.00 0.00 33.22 30.00 1aus n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1aus n PHE 75 N 4.13 2.62 -1.51 2.03 3.72 -1.26 -2.28 117.46 124.91 1aus n PHE 75 Ca 0.45 0.45 -0.15 0.00 -0.05 0.00 0.00 57.45 58.15 1aus n PHE 75 Cb 0.36 -2.45 -0.06 0.00 -0.94 0.00 0.00 39.48 36.38 1aus n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aus n GLY 76 N 0.61 1.42 3.73 1.37 0.00 -1.26 -4.96 105.19 106.10 1aus n GLY 76 Ca 0.05 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1aus n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aus n THR 78 N 2.68 0.00 -4.65 0.00 -2.24 -1.26 -5.01 114.28 103.80 1aus n THR 78 Ca 0.03 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 1aus n THR 78 Cb 0.47 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 1aus n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aus s ASP 79 N -1.24 1.92 0.57 3.42 2.15 -1.26 -4.98 116.67 117.26 1aus s ASP 79 Ca 0.00 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 52.92 1aus s ASP 79 Cb 0.00 -0.89 1.67 0.00 -0.30 0.00 0.00 42.92 43.40 1aus s ASP 79 CO 0.00 0.05 2.20 -0.65 -0.17 0.00 0.00 175.17 176.60 1aus h PRO 80 N 6.95 0.00 0.00 4.34 0.11 -1.92 0.12 132.00 141.61 1aus h PRO 80 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1aus h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1aus h PRO 80 CO 0.47 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.17 1aus h ALA 81 N 1.95 1.38 -0.16 -0.75 0.00 -1.96 0.03 119.26 119.75 1aus h ALA 81 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1aus h ALA 81 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1aus h ALA 81 CO -0.00 0.12 -0.09 1.96 0.00 0.00 0.00 179.25 181.24 1aus h GLN 82 N 0.00 0.34 0.09 0.00 4.20 -1.16 -1.43 115.11 117.14 1aus h GLN 82 Ca -0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1aus h GLN 82 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1aus h GLN 82 CO 0.01 0.67 -0.04 0.28 -0.67 0.00 0.00 178.83 179.08 1aus h VAL 83 N -0.00 1.03 0.00 -0.54 2.07 -1.35 -2.41 116.25 115.05 1aus h VAL 83 Ca 0.03 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1aus h VAL 83 Cb 0.57 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1aus h VAL 83 CO 0.03 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.57 1aus h LEU 84 N -0.31 0.00 -0.64 2.57 3.38 -1.07 -0.21 115.31 119.03 1aus h LEU 84 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1aus h LEU 84 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1aus h LEU 84 CO 0.02 0.08 -0.07 0.78 0.09 0.00 0.00 178.44 179.34 1aus h ASN 85 N 0.00 0.98 -0.14 -0.43 2.35 -0.89 -1.43 115.58 116.01 1aus h ASN 85 Ca -0.00 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.32 1aus h ASN 85 Cb 0.17 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1aus h ASN 85 CO 0.01 1.07 -0.35 -0.33 -1.65 0.00 0.00 177.43 176.18 1aus h GLU 86 N 0.89 0.65 -0.46 0.81 4.39 -0.62 -0.75 114.58 119.50 1aus h GLU 86 Ca 0.15 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.58 1aus h GLU 86 Cb 0.62 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1aus h GLU 86 CO 0.04 0.91 0.22 1.25 -1.16 0.00 0.00 179.01 180.27 1aus h LEU 87 N 0.55 0.30 -0.54 1.33 5.85 -0.88 0.64 115.31 122.55 1aus h LEU 87 Ca 0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1aus h LEU 87 Cb 0.86 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1aus h LEU 87 CO 0.07 0.21 0.33 -0.08 -0.34 0.00 0.00 178.44 178.64 1aus h GLU 88 N 0.43 0.73 -0.31 1.25 4.57 -0.84 0.22 114.58 120.62 1aus h GLU 88 Ca 0.20 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1aus h GLU 88 Cb 0.13 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1aus h GLU 88 CO -0.16 0.52 0.16 1.49 -1.18 0.00 0.00 179.01 179.84 1aus h GLU 89 N 0.73 0.44 -0.37 1.92 4.57 -0.49 -1.39 114.58 119.99 1aus h GLU 89 Ca 0.20 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1aus h GLU 89 Cb -0.03 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1aus h GLU 89 CO -0.04 0.40 0.15 0.00 -1.18 0.00 0.00 179.01 178.34 1aus h LYS 91 N 0.46 0.34 -0.06 0.00 1.57 -0.41 0.70 116.57 119.17 1aus h LYS 91 Ca 0.13 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1aus h LYS 91 Cb 0.18 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1aus h LYS 91 CO -0.01 0.23 -0.78 0.87 -0.57 0.00 0.00 179.45 179.18 1aus h LYS 92 N 0.35 0.64 -0.02 3.15 1.57 -0.89 -1.49 116.57 119.87 1aus h LYS 92 Ca 0.14 -0.61 -0.19 0.00 -1.87 0.00 0.00 60.65 58.12 1aus h LYS 92 Cb 0.12 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1aus h LYS 92 CO -0.03 1.22 -0.82 1.49 -0.57 0.00 0.00 179.45 180.73 1aus h GLU 93 N 0.28 0.26 -2.14 3.15 4.81 -0.54 -3.37 114.58 117.04 1aus h GLU 93 Ca -0.08 -0.26 -0.58 0.00 -0.13 0.00 0.00 59.36 58.31 1aus h GLU 93 Cb 1.44 0.07 -0.41 0.00 0.63 0.00 0.00 28.75 30.48 1aus h GLU 93 CO 0.16 0.95 -0.76 0.66 -0.73 0.00 0.00 179.01 179.28 1aus n TYR 94 N -3.73 2.45 0.28 0.92 4.01 0.24 -4.87 117.16 116.46 1aus n TYR 94 Ca -0.04 -3.97 0.13 0.00 -0.16 0.00 0.00 57.90 53.86 1aus n TYR 94 Cb 0.77 -0.49 0.60 0.00 -0.31 0.00 0.00 39.34 39.91 1aus n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1aus h PRO 95 N 3.96 0.00 -0.30 -0.72 0.13 -1.44 -0.46 132.00 133.16 1aus h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1aus h PRO 95 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1aus h PRO 95 CO 0.72 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.76 1aus n ASN 96 N -2.38 2.94 -4.97 1.44 6.94 -1.26 -4.66 115.26 113.31 1aus n ASN 96 Ca 0.00 -1.92 -0.21 0.00 -0.02 0.00 0.00 54.58 52.43 1aus n ASN 96 Cb 0.14 -0.19 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 1aus n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aus s ALA 97 N -1.61 3.96 -0.10 -2.53 0.00 -0.18 -4.74 121.76 116.56 1aus s ALA 97 Ca 0.36 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 1aus s ALA 97 Cb 0.21 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1aus s ALA 97 CO 0.30 0.10 0.38 -0.06 0.00 0.00 0.00 175.76 176.48 1aus s PHE 98 N -2.11 3.56 -0.09 0.00 0.08 0.30 -3.86 117.98 115.86 1aus s PHE 98 Ca 0.38 0.80 0.01 0.00 0.12 0.00 0.00 56.93 58.25 1aus s PHE 98 Cb -0.09 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 1aus s PHE 98 CO 0.31 0.34 -0.11 0.42 -0.10 0.00 0.00 175.22 176.08 1aus s ILE 99 N 0.04 1.17 0.18 0.64 1.01 -0.39 -0.96 121.20 122.90 1aus s ILE 99 Ca 0.22 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1aus s ILE 99 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1aus s ILE 99 CO 0.09 0.37 -0.18 0.00 0.00 0.00 0.00 174.94 175.22 1aus s ARG 100 N 1.02 1.34 -0.18 2.79 1.70 -0.27 -0.86 118.95 124.48 1aus s ARG 100 Ca -0.08 -1.48 -0.08 0.00 -0.47 0.00 0.00 55.73 53.62 1aus s ARG 100 Cb -0.15 -1.37 -0.05 0.00 -0.57 0.00 0.00 34.95 32.82 1aus s ARG 100 CO -0.01 0.27 0.10 0.42 -1.08 0.00 0.00 175.30 175.01 1aus s ILE 101 N -2.23 5.18 0.32 4.99 1.01 0.15 -1.93 121.20 128.69 1aus s ILE 101 Ca 0.19 0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1aus s ILE 101 Cb -0.05 -3.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1aus s ILE 101 CO 0.08 0.48 -0.00 0.27 0.00 0.00 0.00 174.94 175.76 1aus s ILE 102 N 0.14 1.53 0.03 2.92 -4.36 0.17 -1.37 121.20 120.25 1aus s ILE 102 Ca 0.07 -2.06 -0.08 0.00 -0.26 0.00 0.00 60.65 58.33 1aus s ILE 102 Cb -0.12 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.92 1aus s ILE 102 CO -0.00 -0.13 0.17 -0.83 0.24 0.00 0.00 174.94 174.38 1aus s GLY 103 N -3.51 0.06 -0.02 6.27 0.00 -1.10 -1.12 107.32 107.90 1aus s GLY 103 Ca 0.33 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.83 1aus s GLY 103 CO 0.14 -0.45 -0.24 -1.36 0.00 0.00 0.00 173.10 171.19 1aus s PHE 104 N -2.31 2.16 -0.51 1.90 0.08 -0.10 -1.84 117.98 117.35 1aus s PHE 104 Ca -0.07 -0.43 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 1aus s PHE 104 Cb -0.02 -1.39 0.13 0.00 -0.57 0.00 0.00 43.02 41.17 1aus s PHE 104 CO -0.03 -0.05 0.36 0.34 -0.10 0.00 0.00 175.22 175.75 1aus s ASP 105 N -0.53 5.60 0.00 1.36 -1.08 -0.44 -0.69 116.67 120.89 1aus s ASP 105 Ca 0.08 -2.17 0.12 0.00 -0.52 0.00 0.00 52.55 50.06 1aus s ASP 105 Cb -0.10 -1.96 0.49 0.00 -1.46 0.00 0.00 42.92 39.90 1aus s ASP 105 CO -0.01 -0.59 1.37 -1.54 0.52 0.00 0.00 175.17 174.92 1aus n SER 106 N 4.51 0.00 0.08 -0.34 3.41 -1.26 0.87 113.62 120.89 1aus n SER 106 Ca -0.02 0.50 -0.22 0.00 -0.26 0.00 0.00 58.87 58.87 1aus n SER 106 Cb 0.41 -0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 1aus n SER 106 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1aus h ASN 107 N 0.00 0.58 0.52 4.04 -0.73 -1.93 -3.28 115.58 114.79 1aus h ASN 107 Ca 0.00 -0.83 0.00 0.00 1.87 0.00 0.00 56.30 57.34 1aus h ASN 107 Cb 0.20 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1aus h ASN 107 CO 0.00 1.69 -0.65 0.54 -0.37 0.00 0.00 177.43 178.64 1aus n ARG 108 N -3.57 0.11 -3.54 6.67 1.74 -1.09 -4.98 116.66 112.01 1aus n ARG 108 Ca -0.22 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.69 1aus n ARG 108 Cb 1.07 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 31.03 1aus n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1aus n GLU 109 N -1.70 -6.14 -3.78 5.56 4.07 0.25 -5.01 120.64 113.90 1aus n GLU 109 Ca 0.04 0.77 -0.09 0.00 -0.06 0.00 0.00 57.16 57.82 1aus n GLU 109 Cb 0.37 -5.64 -0.06 0.00 -0.06 0.00 0.00 31.44 26.05 1aus n GLU 109 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1aus s VAL 110 N -3.45 0.10 0.23 6.31 -7.23 -0.76 -4.99 120.40 110.60 1aus s VAL 110 Ca 0.05 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1aus s VAL 110 Cb -0.02 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1aus s VAL 110 CO 0.76 -0.45 1.12 -1.58 -0.31 0.00 0.00 175.10 174.64 1aus s GLN 111 N -3.86 4.60 0.00 4.82 0.74 -1.26 -1.33 119.66 123.37 1aus s GLN 111 Ca 0.06 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.26 1aus s GLN 111 Cb 0.03 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.91 1aus s GLN 111 CO -0.09 0.11 0.07 0.00 -0.55 0.00 0.00 175.29 174.82 1aus s ILE 113 N -0.47 0.64 -0.30 0.00 -1.09 -1.21 -4.95 121.20 113.81 1aus s ILE 113 Ca 0.00 -1.27 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 1aus s ILE 113 Cb 0.00 -0.86 0.18 0.00 -1.58 0.00 0.00 42.46 40.20 1aus s ILE 113 CO 0.00 -0.46 1.03 -0.55 -1.23 0.00 0.00 174.94 173.74 1aus s SER 114 N -1.87 -0.49 -0.03 3.58 0.15 -1.25 -2.73 113.70 111.07 1aus s SER 114 Ca -0.05 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.81 1aus s SER 114 Cb -0.07 1.39 0.01 0.00 -1.71 0.00 0.00 66.02 65.63 1aus s SER 114 CO -0.00 -0.09 0.09 0.72 1.20 0.00 0.00 173.24 175.16 1aus s PHE 115 N 2.95 -0.05 0.05 3.44 -0.71 -0.47 -4.19 117.98 118.99 1aus s PHE 115 Ca 0.05 0.13 -0.31 0.00 -1.04 0.00 0.00 56.93 55.76 1aus s PHE 115 Cb -0.09 0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.65 1aus s PHE 115 CO -0.14 -0.10 1.55 -1.50 -1.34 0.00 0.00 175.22 173.69 1aus s ILE 116 N -0.31 3.27 -0.05 -4.49 1.10 -1.26 -0.68 121.20 118.78 1aus s ILE 116 Ca -0.04 0.71 0.13 0.00 -0.51 0.00 0.00 60.65 60.94 1aus s ILE 116 Cb -0.03 -3.46 -0.19 0.00 0.15 0.00 0.00 42.46 38.93 1aus s ILE 116 CO 0.00 0.00 0.22 0.00 -2.11 0.00 0.00 174.94 173.05 1aus n ALA 117 N 5.40 2.25 -3.60 1.50 0.00 -0.04 -4.87 120.51 121.15 1aus n ALA 117 Ca 0.15 -0.47 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1aus n ALA 117 Cb 0.42 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1aus n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1aus s TYR 118 N -2.74 -0.81 -0.02 0.00 5.04 -0.48 -4.95 117.35 113.39 1aus s TYR 118 Ca -0.05 1.85 0.04 0.00 -2.44 0.00 0.00 57.07 56.47 1aus s TYR 118 Cb 0.07 0.35 -0.01 0.00 0.35 0.00 0.00 41.96 42.73 1aus s TYR 118 CO 0.54 -0.40 -0.13 0.15 -1.34 0.00 0.00 175.55 174.37 1aus s LYS 119 N 0.74 1.18 0.00 4.97 1.02 -1.26 -1.26 119.74 125.13 1aus s LYS 119 Ca -0.03 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1aus s LYS 119 Cb -0.05 -1.11 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 1aus s LYS 119 CO -0.05 0.25 0.00 -0.35 -0.92 0.00 0.00 175.35 174.28 1aus n PRO 120 N 2.90 0.50 -0.37 -1.68 -0.04 -1.25 -4.81 135.00 130.24 1aus n PRO 120 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1aus n PRO 120 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 1aus n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aus n ALA 121 N -3.00 0.07 -4.00 0.55 0.00 -1.26 -2.19 120.51 110.68 1aus n ALA 121 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1aus n ALA 121 Cb 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1aus n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aus n GLY 122 N 1.62 -0.35 0.64 0.00 0.00 -1.26 -5.25 105.19 100.60 1aus n GLY 122 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.42 1aus n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60