#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnr s LEU 2 N 0.00 3.56 -0.00 -0.89 1.43 -1.26 -4.96 118.68 116.57 1nnr s LEU 2 Ca 0.00 2.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.75 1nnr s LEU 2 Cb 0.00 -4.62 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1nnr s LEU 2 CO 0.00 -2.02 0.15 0.35 0.23 0.00 0.00 176.35 175.06 1nnr n THR 3 N -1.94 0.00 -2.04 5.49 -2.24 -1.26 -5.11 114.28 107.18 1nnr n THR 3 Ca 0.16 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1nnr n THR 3 Cb 0.48 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1nnr n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnr n GLY 4 N 1.20 -0.03 3.70 3.38 0.00 -1.26 -5.10 105.19 107.08 1nnr n GLY 4 Ca 0.01 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 1nnr n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nnr s LEU 5 N 0.00 4.23 -0.18 0.99 2.96 -1.26 -4.97 118.68 120.44 1nnr s LEU 5 Ca 0.00 0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 54.58 1nnr s LEU 5 Cb 0.00 -2.76 -0.21 0.00 0.50 0.00 0.00 46.19 43.72 1nnr s LEU 5 CO 0.00 -0.10 0.20 -3.20 -1.32 0.00 0.00 176.35 171.93 1nnr n ASN 6 N 4.18 1.98 -3.51 3.68 2.85 -1.26 -4.99 115.26 118.19 1nnr n ASN 6 Ca -0.05 0.30 -0.09 0.00 -0.11 0.00 0.00 54.58 54.63 1nnr n ASN 6 Cb 0.51 -0.88 -0.02 0.00 1.24 0.00 0.00 39.78 40.62 1nnr n ASN 6 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1nnr s HIS 7 N -2.46 -0.36 -0.10 1.20 -3.43 -1.26 -4.34 115.29 104.54 1nnr s HIS 7 Ca -0.28 0.28 0.02 0.00 -0.80 0.00 0.00 55.06 54.29 1nnr s HIS 7 Cb 0.07 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1nnr s HIS 7 CO 0.65 -0.53 -0.18 -1.17 -2.00 0.00 0.00 174.74 171.52 1nnr s LEU 8 N -2.30 2.46 -0.12 5.38 2.96 -0.72 -5.04 118.68 121.30 1nnr s LEU 8 Ca 0.04 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1nnr s LEU 8 Cb -0.01 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.18 1nnr s LEU 8 CO -0.07 0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.07 1nnr s THR 9 N 0.15 1.77 -0.16 3.68 2.01 -1.26 -0.04 115.64 121.79 1nnr s THR 9 Ca -0.09 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1nnr s THR 9 Cb -0.16 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1nnr s THR 9 CO 0.06 0.50 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.55 1nnr s LEU 10 N 0.84 2.33 0.27 4.42 1.43 -0.39 -4.98 118.68 122.59 1nnr s LEU 10 Ca -0.08 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 1nnr s LEU 10 Cb -0.15 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 1nnr s LEU 10 CO -0.01 0.06 1.27 0.00 0.23 0.00 0.00 176.35 177.90 1nnr s ALA 11 N 0.95 3.49 -0.07 4.21 0.00 -1.26 -1.44 121.76 127.64 1nnr s ALA 11 Ca -0.03 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 1nnr s ALA 11 Cb -0.15 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1nnr s ALA 11 CO -0.03 -0.50 0.18 0.14 0.00 0.00 0.00 175.76 175.54 1nnr s VAL 12 N -0.65 0.00 -0.07 0.00 -7.23 -0.65 -4.89 120.40 106.90 1nnr s VAL 12 Ca 0.51 -0.03 0.14 0.00 -1.81 0.00 0.00 61.98 60.79 1nnr s VAL 12 Cb -0.37 -0.27 -0.14 0.00 0.56 0.00 0.00 36.38 36.16 1nnr s VAL 12 CO 0.45 -0.02 0.93 0.00 -0.31 0.00 0.00 175.10 176.15 1nnr h ALA 13 N 5.78 0.65 -2.91 1.32 0.00 -1.87 0.22 119.26 122.45 1nnr h ALA 13 Ca -0.26 -0.97 -0.58 0.00 0.00 0.00 0.00 54.91 53.10 1nnr h ALA 13 Cb 1.20 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.82 1nnr h ALA 13 CO 0.39 1.11 -0.78 0.34 0.00 0.00 0.00 179.25 180.31 1nnr s ASP 14 N -6.09 3.59 0.08 0.00 -1.08 -1.26 -4.23 116.67 107.68 1nnr s ASP 14 Ca -0.02 -2.02 -0.24 0.00 -0.52 0.00 0.00 52.55 49.76 1nnr s ASP 14 Cb 0.08 -0.73 -0.16 0.00 -1.46 0.00 0.00 42.92 40.66 1nnr s ASP 14 CO 0.81 -0.35 1.70 0.25 0.52 0.00 0.00 175.17 178.10 1nnr h LEU 15 N 7.47 -0.04 -1.29 -1.34 5.85 -1.98 -2.57 115.31 121.40 1nnr h LEU 15 Ca -0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1nnr h LEU 15 Cb 0.98 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1nnr h LEU 15 CO 0.42 0.00 0.40 1.55 -0.34 0.00 0.00 178.44 180.48 1nnr h PRO 16 N -0.09 0.88 -0.28 5.25 0.13 -1.99 -1.67 132.00 134.23 1nnr h PRO 16 Ca -0.01 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1nnr h PRO 16 Cb 0.07 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 1nnr h PRO 16 CO 0.01 0.61 -0.24 0.00 -0.23 0.00 0.00 178.00 178.15 1nnr h ALA 17 N 1.55 1.06 -0.20 -0.56 0.00 -1.95 -0.93 119.26 118.23 1nnr h ALA 17 Ca 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1nnr h ALA 17 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nnr h ALA 17 CO -0.05 0.57 -0.04 0.77 0.00 0.00 0.00 179.25 180.50 1nnr h SER 18 N 0.48 0.39 -0.57 0.00 0.02 -1.15 -0.59 113.55 112.12 1nnr h SER 18 Ca 0.07 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1nnr h SER 18 Cb 0.67 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1nnr h SER 18 CO 0.05 0.66 0.36 0.40 -1.14 0.00 0.00 176.83 177.15 1nnr h ILE 19 N 0.12 1.16 -0.98 3.27 2.04 -1.23 0.17 117.51 122.07 1nnr h ILE 19 Ca 0.05 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1nnr h ILE 19 Cb 0.48 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1nnr h ILE 19 CO 0.02 0.16 0.65 0.00 0.00 0.00 0.00 178.15 178.98 1nnr h ALA 20 N 1.18 1.27 0.20 1.87 0.00 -0.86 0.05 119.26 122.97 1nnr h ALA 20 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nnr h ALA 20 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1nnr h ALA 20 CO -0.04 0.59 -0.09 0.35 0.00 0.00 0.00 179.25 180.05 1nnr h PHE 21 N 1.29 -0.25 -0.72 0.00 3.57 -0.83 0.15 116.94 120.15 1nnr h PHE 21 Ca 0.37 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 1nnr h PHE 21 Cb -0.09 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1nnr h PHE 21 CO -0.00 0.16 0.28 1.88 -2.23 0.00 0.00 178.31 178.40 1nnr h TYR 22 N -0.82 1.11 0.02 0.41 -1.99 -0.60 -1.94 116.97 113.15 1nnr h TYR 22 Ca -0.03 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1nnr h TYR 22 Cb 0.52 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1nnr h TYR 22 CO 0.07 0.85 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.98 1nnr h ARG 23 N 1.04 -0.03 0.00 4.88 2.43 -1.04 -1.98 114.38 119.68 1nnr h ARG 23 Ca 0.24 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 1nnr h ARG 23 Cb 0.22 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1nnr h ARG 23 CO -0.02 0.70 -1.11 -0.44 -1.51 0.00 0.00 179.97 177.59 1nnr h ASP 24 N -0.93 0.00 0.00 -3.80 3.32 -0.77 -2.69 116.42 111.55 1nnr h ASP 24 Ca -0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.65 1nnr h ASP 24 Cb 0.74 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1nnr h ASP 24 CO 0.00 0.82 -2.46 0.18 -1.72 0.00 0.00 179.24 176.06 1nnr n LEU 25 N -3.18 2.86 0.02 1.55 4.32 -0.79 -4.65 117.00 117.13 1nnr n LEU 25 Ca -0.05 -0.08 0.11 0.00 -0.02 0.00 0.00 56.01 55.97 1nnr n LEU 25 Cb 0.90 -0.88 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 1nnr n LEU 25 CO 0.44 0.89 -0.21 0.18 -1.22 0.00 0.00 177.39 177.47 1nnr n LEU 26 N -3.36 0.52 0.00 2.23 4.32 -0.81 -5.00 117.00 114.90 1nnr n LEU 26 Ca -0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 1nnr n LEU 26 Cb 0.97 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1nnr n LEU 26 CO 0.23 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1nnr n GLY 27 N 1.33 0.70 3.77 -0.72 0.00 -0.80 -4.97 105.19 104.51 1nnr n GLY 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nnr n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nnr s PHE 28 N -2.44 2.49 -0.19 1.61 0.40 -0.85 -4.94 117.98 114.05 1nnr s PHE 28 Ca 0.00 1.25 -0.22 0.00 -0.60 0.00 0.00 56.93 57.36 1nnr s PHE 28 Cb 0.00 -3.94 -0.02 0.00 0.51 0.00 0.00 43.02 39.57 1nnr s PHE 28 CO 0.00 -2.94 0.66 0.50 0.70 0.00 0.00 175.22 174.15 1nnr s ARG 29 N -2.38 4.23 -0.32 0.44 3.52 -0.60 -4.15 118.95 119.70 1nnr s ARG 29 Ca 0.59 0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.59 1nnr s ARG 29 Cb -0.44 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.37 1nnr s ARG 29 CO 0.58 -0.25 1.47 -1.17 -0.81 0.00 0.00 175.30 175.12 1nnr s LEU 30 N 1.92 3.75 -0.20 -0.88 2.96 -1.26 -1.32 118.68 123.65 1nnr s LEU 30 Ca 0.30 1.20 0.08 0.00 -0.22 0.00 0.00 54.13 55.49 1nnr s LEU 30 Cb -0.16 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 1nnr s LEU 30 CO 0.11 -1.30 0.04 -0.62 -1.32 0.00 0.00 176.35 173.25 1nnr n GLU 31 N 7.76 0.68 -3.43 1.98 -0.58 -0.50 -5.02 120.64 121.53 1nnr n GLU 31 Ca 0.17 0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1nnr n GLU 31 Cb 0.47 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 1nnr n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nnr s ALA 32 N -2.52 -1.62 0.10 0.62 0.00 -1.04 -4.99 121.76 112.31 1nnr s ALA 32 Ca -0.22 0.56 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1nnr s ALA 32 Cb 0.08 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1nnr s ALA 32 CO 0.72 -0.75 0.21 -0.98 0.00 0.00 0.00 175.76 174.97 1nnr s ARG 33 N -3.60 0.89 0.13 0.00 1.70 -1.26 -0.52 118.95 116.30 1nnr s ARG 33 Ca 0.01 -0.97 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 1nnr s ARG 33 Cb -0.01 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1nnr s ARG 33 CO -0.12 -0.29 0.27 -2.67 -1.08 0.00 0.00 175.30 171.40 1nnr n TRP 34 N -0.09 -1.44 -0.28 5.89 2.14 0.25 -4.98 117.44 118.92 1nnr n TRP 34 Ca -0.14 -0.64 0.07 0.00 2.07 0.00 0.00 57.50 58.86 1nnr n TRP 34 Cb 0.63 0.31 0.22 0.00 -0.81 0.00 0.00 31.31 31.66 1nnr n TRP 34 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1nnr h ASP 35 N 0.68 0.44 -0.33 -0.67 3.32 -2.03 -2.94 116.42 114.89 1nnr h ASP 35 Ca -0.11 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nnr h ASP 35 Cb 0.42 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1nnr h ASP 35 CO 0.14 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1nnr n GLN 36 N -4.92 2.89 -3.46 3.56 1.13 -1.26 -4.94 117.38 110.38 1nnr n GLN 36 Ca 0.17 -2.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 1nnr n GLN 36 Cb 0.44 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1nnr n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nnr n GLY 37 N 0.32 -1.44 3.23 1.08 0.00 -1.11 -0.64 105.19 106.63 1nnr n GLY 37 Ca 0.13 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1nnr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnr s ALA 38 N -1.21 -0.62 -0.14 4.61 0.00 -0.65 -0.59 121.76 123.16 1nnr s ALA 38 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1nnr s ALA 38 Cb 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1nnr s ALA 38 CO 0.00 -0.38 -0.16 0.71 0.00 0.00 0.00 175.76 175.93 1nnr s TYR 39 N -2.41 2.76 0.29 0.00 4.12 0.32 -1.12 117.35 121.32 1nnr s TYR 39 Ca -0.06 -0.97 0.04 0.00 0.02 0.00 0.00 57.07 56.09 1nnr s TYR 39 Cb -0.01 -1.86 -0.06 0.00 -1.52 0.00 0.00 41.96 38.51 1nnr s TYR 39 CO -0.03 -0.42 0.04 -0.51 0.02 0.00 0.00 175.55 174.65 1nnr s LEU 40 N 0.67 2.12 -0.12 -1.29 1.02 0.12 -1.41 118.68 119.80 1nnr s LEU 40 Ca -0.08 -1.32 -0.07 0.00 0.02 0.00 0.00 54.13 52.67 1nnr s LEU 40 Cb -0.16 -0.31 0.04 0.00 0.02 0.00 0.00 46.19 45.78 1nnr s LEU 40 CO 0.02 -0.58 0.29 -0.70 0.02 0.00 0.00 176.35 175.40 1nnr s GLU 41 N -3.89 0.28 -0.40 1.70 2.12 -0.44 -0.89 118.70 117.18 1nnr s GLU 41 Ca 0.34 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.23 1nnr s GLU 41 Cb 0.07 -0.02 0.12 0.00 0.26 0.00 0.00 34.13 34.57 1nnr s GLU 41 CO 0.13 -0.13 0.18 -1.17 -0.54 0.00 0.00 175.26 173.74 1nnr s LEU 42 N 0.96 3.04 0.00 2.70 2.96 0.11 -1.55 118.68 126.89 1nnr s LEU 42 Ca -0.07 -2.36 0.00 0.00 -0.22 0.00 0.00 54.13 51.49 1nnr s LEU 42 Cb -0.08 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1nnr s LEU 42 CO -0.07 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 1nnr n GLY 43 N 3.92 2.90 0.19 7.98 0.00 -1.26 -1.58 105.19 117.35 1nnr n GLY 43 Ca 0.05 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1nnr n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nnr n SER 44 N 9.12 1.30 -4.70 1.61 3.41 -1.26 -4.92 113.62 118.18 1nnr n SER 44 Ca 0.00 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 1nnr n SER 44 Cb 0.00 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1nnr n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1nnr s LEU 45 N -2.77 4.33 -0.39 1.04 2.96 -0.61 -5.02 118.68 118.21 1nnr s LEU 45 Ca 0.13 2.00 -0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1nnr s LEU 45 Cb 0.17 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.37 1nnr s LEU 45 CO 0.72 -0.58 0.20 0.86 -1.32 0.00 0.00 176.35 176.22 1nnr s TRP 46 N 1.76 3.39 -0.24 5.38 -0.00 -1.26 -0.71 118.94 127.25 1nnr s TRP 46 Ca 0.60 -1.80 -0.12 0.00 -0.00 0.00 0.00 56.10 54.78 1nnr s TRP 46 Cb -0.29 -2.86 -0.05 0.00 -0.00 0.00 0.00 33.47 30.27 1nnr s TRP 46 CO 0.26 -0.87 0.21 -1.17 -0.00 0.00 0.00 176.95 175.39 1nnr s LEU 47 N 1.33 4.11 -0.10 5.86 2.96 -0.07 -1.76 118.68 131.02 1nnr s LEU 47 Ca 0.03 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1nnr s LEU 47 Cb -0.22 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1nnr s LEU 47 CO 0.00 0.02 0.04 0.00 -1.32 0.00 0.00 176.35 175.09 1nnr s LEU 49 N -0.84 2.65 -0.28 0.00 1.43 -0.28 -1.26 118.68 120.11 1nnr s LEU 49 Ca 0.13 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1nnr s LEU 49 Cb -0.12 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1nnr s LEU 49 CO 0.03 0.12 0.01 -0.55 0.23 0.00 0.00 176.35 176.19 1nnr s SER 50 N 0.59 4.74 -0.18 2.29 0.15 -0.52 -1.64 113.70 119.13 1nnr s SER 50 Ca -0.08 -0.88 -0.29 0.00 0.70 0.00 0.00 55.95 55.40 1nnr s SER 50 Cb -0.16 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1nnr s SER 50 CO 0.03 -0.18 1.56 -0.60 1.20 0.00 0.00 173.24 175.25 1nnr s ARG 51 N 1.38 3.96 -0.31 5.44 3.52 0.19 -1.64 118.95 131.49 1nnr s ARG 51 Ca 0.00 1.76 -0.00 0.00 -0.13 0.00 0.00 55.73 57.36 1nnr s ARG 51 Cb -0.17 -3.98 0.14 0.00 -1.56 0.00 0.00 34.95 29.38 1nnr s ARG 51 CO -0.01 -1.09 0.29 -1.21 -0.81 0.00 0.00 175.30 172.46 1nnr s GLU 52 N 4.32 0.38 0.15 5.12 2.02 0.79 -4.90 118.70 126.58 1nnr s GLU 52 Ca 0.69 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 55.29 1nnr s GLU 52 Cb -0.26 -0.77 -0.06 0.00 0.10 0.00 0.00 34.13 33.13 1nnr s GLU 52 CO 0.27 -1.07 1.34 -1.00 0.02 0.00 0.00 175.26 174.81 1nnr h PRO 53 N 7.96 0.18 -1.00 0.39 0.13 -1.76 -2.92 132.00 134.98 1nnr h PRO 53 Ca -0.09 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1nnr h PRO 53 Cb 1.06 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1nnr h PRO 53 CO 0.32 0.99 0.00 1.04 -0.23 0.00 0.00 178.00 180.12 1nnr n GLN 54 N -3.61 1.02 -3.08 0.86 1.13 -1.26 -4.81 117.38 107.64 1nnr n GLN 54 Ca -0.04 -0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.59 1nnr n GLN 54 Cb 0.85 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 29.92 1nnr n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1nnr s TYR 55 N -0.47 3.52 -0.77 1.08 5.04 -1.11 -4.95 117.35 119.69 1nnr s TYR 55 Ca 0.01 1.15 0.15 0.00 -2.44 0.00 0.00 57.07 55.94 1nnr s TYR 55 Cb 0.00 -2.79 0.52 0.00 0.35 0.00 0.00 41.96 40.04 1nnr s TYR 55 CO 0.00 0.03 1.43 0.41 -1.34 0.00 0.00 175.55 176.08 1nnr n GLY 56 N 3.27 3.15 0.00 8.97 0.00 -1.26 -4.84 105.19 114.49 1nnr n GLY 56 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1nnr n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnr n GLY 57 N 0.42 1.49 3.78 -0.02 0.00 -1.26 -4.99 105.19 104.60 1nnr n GLY 57 Ca 0.19 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1nnr n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nnr s PRO 58 N -2.32 2.91 1.11 1.61 0.04 -1.26 -5.05 135.00 132.04 1nnr s PRO 58 Ca 0.00 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 1nnr s PRO 58 Cb 0.00 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.82 1nnr s PRO 58 CO 0.00 -1.16 1.14 0.00 0.04 0.00 0.00 177.00 177.02 1nnr s ALA 59 N -2.31 0.98 -1.10 8.56 0.00 -1.26 -4.92 121.76 121.72 1nnr s ALA 59 Ca 0.67 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1nnr s ALA 59 Cb -0.20 -2.93 0.19 0.00 0.00 0.00 0.00 23.12 20.18 1nnr s ALA 59 CO 0.40 -3.19 1.24 0.00 0.00 0.00 0.00 175.76 174.21 1nnr s ALA 60 N -3.14 4.04 0.34 0.00 0.00 -1.26 -4.91 121.76 116.83 1nnr s ALA 60 Ca 0.70 -3.34 0.06 0.00 0.00 0.00 0.00 51.96 49.37 1nnr s ALA 60 Cb -0.11 -3.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 1nnr s ALA 60 CO 0.56 -2.65 0.22 0.16 0.00 0.00 0.00 175.76 174.05 1nnr s ASP 61 N 2.62 1.86 -0.02 0.00 3.84 -1.26 -5.07 116.67 118.64 1nnr s ASP 61 Ca 0.36 -1.71 0.07 0.00 -0.00 0.00 0.00 52.55 51.27 1nnr s ASP 61 Cb -0.05 0.53 0.23 0.00 -1.38 0.00 0.00 42.92 42.25 1nnr s ASP 61 CO -0.04 -1.01 1.12 0.00 -0.00 0.00 0.00 175.17 175.23 1nnr n TYR 62 N -0.67 0.42 -2.05 2.11 9.36 -1.26 -4.89 117.16 120.17 1nnr n TYR 62 Ca 0.03 -0.18 -0.42 0.00 3.32 0.00 0.00 57.90 60.65 1nnr n TYR 62 Cb 0.63 -0.06 -0.03 0.00 -0.63 0.00 0.00 39.34 39.26 1nnr n TYR 62 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1nnr s THR 63 N -1.65 3.62 0.20 2.97 2.01 -1.26 -4.96 115.64 116.57 1nnr s THR 63 Ca 0.17 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.79 1nnr s THR 63 Cb 0.10 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1nnr s THR 63 CO 0.10 -0.06 0.51 -1.38 -0.69 0.00 0.00 174.62 173.09 1nnr s HIS 64 N 3.82 -0.05 -0.26 4.92 -3.43 -1.26 -4.38 115.29 114.65 1nnr s HIS 64 Ca 0.71 -0.30 0.01 0.00 -0.80 0.00 0.00 55.06 54.68 1nnr s HIS 64 Cb -0.32 0.35 0.07 0.00 -1.43 0.00 0.00 32.58 31.25 1nnr s HIS 64 CO 0.28 -0.91 -0.01 0.71 -2.00 0.00 0.00 174.74 172.80 1nnr s TYR 65 N -3.89 2.42 -0.10 0.38 4.12 -0.77 -5.01 117.35 114.51 1nnr s TYR 65 Ca 0.11 -1.88 -0.17 0.00 0.02 0.00 0.00 57.07 55.15 1nnr s TYR 65 Cb -0.01 -1.75 -0.05 0.00 -1.52 0.00 0.00 41.96 38.63 1nnr s TYR 65 CO -0.02 -0.81 0.44 0.00 0.02 0.00 0.00 175.55 175.19 1nnr s ALA 66 N 1.38 3.54 0.04 3.71 0.00 -1.26 -0.64 121.76 128.53 1nnr s ALA 66 Ca -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1nnr s ALA 66 Cb -0.19 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1nnr s ALA 66 CO -0.09 0.12 -0.05 -0.06 0.00 0.00 0.00 175.76 175.67 1nnr s PHE 67 N 0.23 2.91 0.38 0.00 0.40 0.33 -4.94 117.98 117.29 1nnr s PHE 67 Ca 0.24 -0.04 -0.22 0.00 -0.60 0.00 0.00 56.93 56.31 1nnr s PHE 67 Cb -0.15 -1.57 -0.10 0.00 0.51 0.00 0.00 43.02 41.71 1nnr s PHE 67 CO 0.10 0.42 0.92 0.20 0.70 0.00 0.00 175.22 177.56 1nnr s GLY 68 N -1.78 2.52 -0.05 4.36 0.00 -1.26 -1.01 107.32 110.11 1nnr s GLY 68 Ca 0.20 0.40 -0.26 0.00 0.00 0.00 0.00 44.72 45.07 1nnr s GLY 68 CO 0.11 0.73 0.57 -1.50 0.00 0.00 0.00 173.10 173.02 1nnr s ILE 69 N -1.96 0.02 0.35 0.90 2.07 -1.17 -4.86 121.20 116.54 1nnr s ILE 69 Ca 0.57 -0.14 -0.26 0.00 -1.41 0.00 0.00 60.65 59.41 1nnr s ILE 69 Cb -0.12 -0.88 -0.09 0.00 0.13 0.00 0.00 42.46 41.49 1nnr s ILE 69 CO 0.17 -0.07 1.08 0.00 -1.91 0.00 0.00 174.94 174.21 1nnr s ALA 70 N -1.16 3.22 0.24 1.50 0.00 -1.26 -4.45 121.76 119.85 1nnr s ALA 70 Ca -0.11 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1nnr s ALA 70 Cb -0.02 -3.30 0.54 0.00 0.00 0.00 0.00 23.12 20.34 1nnr s ALA 70 CO 0.08 -0.22 1.25 0.00 0.00 0.00 0.00 175.76 176.87 1nnr n ALA 71 N 0.47 0.35 0.44 0.00 0.00 -1.26 0.07 120.51 120.58 1nnr n ALA 71 Ca 0.02 0.86 0.13 0.00 0.00 0.00 0.00 53.44 54.46 1nnr n ALA 71 Cb 0.47 -0.60 0.47 0.00 0.00 0.00 0.00 19.45 19.80 1nnr n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nnr h ALA 72 N 1.60 1.00 0.00 0.00 0.00 -2.05 -2.84 119.26 116.96 1nnr h ALA 72 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1nnr h ALA 72 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nnr h ALA 72 CO -0.77 0.00 -1.23 -0.25 0.00 0.00 0.00 179.25 177.00 1nnr n ASP 73 N -2.42 0.75 -0.14 0.00 8.00 0.11 -4.68 116.55 118.18 1nnr n ASP 73 Ca 0.03 -0.70 -0.08 0.00 0.71 0.00 0.00 54.79 54.76 1nnr n ASP 73 Cb 0.32 1.27 0.01 0.00 -0.02 0.00 0.00 41.12 42.70 1nnr n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1nnr h PHE 74 N 0.00 0.55 0.16 1.24 3.57 -1.16 -2.40 116.94 118.90 1nnr h PHE 74 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1nnr h PHE 74 Cb 0.61 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1nnr h PHE 74 CO 0.00 0.34 -0.29 0.00 -2.23 0.00 0.00 178.31 176.13 1nnr h ALA 75 N 1.17 -0.52 -0.71 2.41 0.00 -1.83 -2.30 119.26 117.47 1nnr h ALA 75 Ca 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nnr h ALA 75 Cb -0.06 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1nnr h ALA 75 CO -0.04 -0.84 0.47 -0.09 0.00 0.00 0.00 179.25 178.75 1nnr h ARG 76 N -0.53 0.69 0.39 0.00 2.43 -1.84 -1.62 114.38 113.90 1nnr h ARG 76 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1nnr h ARG 76 Cb 0.54 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1nnr h ARG 76 CO -0.14 0.46 -0.19 0.35 -1.51 0.00 0.00 179.97 178.94 1nnr h PHE 77 N 0.71 -0.48 -0.57 2.20 3.57 -1.32 -2.54 116.94 118.50 1nnr h PHE 77 Ca 0.31 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 1nnr h PHE 77 Cb 0.30 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1nnr h PHE 77 CO -0.00 -0.15 0.22 0.00 -2.23 0.00 0.00 178.31 176.15 1nnr h ALA 78 N -0.54 0.73 -1.00 2.41 0.00 -1.37 -2.41 119.26 117.09 1nnr h ALA 78 Ca -0.05 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1nnr h ALA 78 Cb 0.55 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1nnr h ALA 78 CO 0.09 -0.18 0.62 0.00 0.00 0.00 0.00 179.25 179.78 1nnr h ALA 79 N 1.38 1.53 0.06 0.00 0.00 -1.35 -0.63 119.26 120.26 1nnr h ALA 79 Ca 0.28 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.99 1nnr h ALA 79 Cb 0.31 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nnr h ALA 79 CO -0.27 0.17 -0.96 0.37 0.00 0.00 0.00 179.25 178.55 1nnr h GLN 80 N 0.94 0.54 -0.35 0.00 4.15 -1.17 -0.67 115.11 118.55 1nnr h GLN 80 Ca 0.51 -0.67 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1nnr h GLN 80 Cb 0.56 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1nnr h GLN 80 CO -0.29 1.27 0.08 -0.07 -1.93 0.00 0.00 178.83 177.90 1nnr h LEU 81 N 0.11 0.53 -0.90 -2.39 4.07 -1.16 -1.84 115.31 113.73 1nnr h LEU 81 Ca -0.14 -0.24 0.03 0.00 0.08 0.00 0.00 57.88 57.62 1nnr h LEU 81 Cb 1.66 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 43.21 1nnr h LEU 81 CO 0.19 0.63 0.59 0.03 -1.08 0.00 0.00 178.44 178.79 1nnr h ARG 82 N 0.41 1.11 -0.26 1.13 3.08 -1.11 -0.40 114.38 118.34 1nnr h ARG 82 Ca 0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1nnr h ARG 82 Cb 0.31 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1nnr h ARG 82 CO 0.00 0.74 0.04 0.00 -1.07 0.00 0.00 179.97 179.68 1nnr h ALA 83 N 1.37 1.60 -0.02 0.04 0.00 -0.89 0.03 119.26 121.39 1nnr h ALA 83 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nnr h ALA 83 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nnr h ALA 83 CO -0.11 0.31 0.00 0.72 0.00 0.00 0.00 179.25 180.16 1nnr n HIS 84 N -4.37 0.01 -1.90 0.00 8.25 -0.71 -4.93 115.22 111.57 1nnr n HIS 84 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nnr n HIS 84 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1nnr n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nnr n GLY 85 N 1.08 0.37 3.77 -1.41 0.00 -0.00 -5.01 105.19 103.99 1nnr n GLY 85 Ca 0.21 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1nnr n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnr s VAL 86 N -2.00 3.15 -0.14 1.61 1.01 -0.23 -4.98 120.40 118.81 1nnr s VAL 86 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 1nnr s VAL 86 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1nnr s VAL 86 CO 0.00 -0.33 0.35 -0.60 0.00 0.00 0.00 175.10 174.53 1nnr s ARG 87 N -4.06 4.27 0.09 2.72 3.52 -1.26 -4.78 118.95 119.45 1nnr s ARG 87 Ca 0.68 0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 56.32 1nnr s ARG 87 Cb -0.21 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 1nnr s ARG 87 CO 0.42 0.23 0.55 -1.21 -0.81 0.00 0.00 175.30 174.47 1nnr s GLU 88 N 0.47 4.11 0.00 5.12 2.02 -1.26 -1.10 118.70 128.06 1nnr s GLU 88 Ca 0.20 0.63 0.11 0.00 0.02 0.00 0.00 54.97 55.93 1nnr s GLU 88 Cb -0.14 -3.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 1nnr s GLU 88 CO 0.06 0.59 0.50 -2.67 0.02 0.00 0.00 175.26 173.76 1nnr n TRP 89 N 1.42 0.00 -3.64 1.61 4.27 -1.20 -4.95 117.44 114.95 1nnr n TRP 89 Ca -0.09 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.37 1nnr n TRP 89 Cb 0.51 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.39 1nnr n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1nnr s LYS 90 N -1.88 0.80 0.00 -2.67 2.20 -1.26 -5.08 119.74 111.85 1nnr s LYS 90 Ca 0.05 0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 56.15 1nnr s LYS 90 Cb 0.08 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1nnr s LYS 90 CO 0.40 -0.14 0.59 -1.14 -0.36 0.00 0.00 175.35 174.70 1nnr s GLN 91 N -0.07 4.31 -0.18 4.03 2.00 -1.26 -4.45 119.66 124.04 1nnr s GLN 91 Ca -0.03 0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 53.77 1nnr s GLN 91 Cb -0.04 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 1nnr s GLN 91 CO 0.03 0.38 1.69 1.21 -0.50 0.00 0.00 175.29 178.10 1nnr s ASN 92 N -0.24 6.37 -0.02 6.67 2.47 -1.26 -4.87 114.94 124.06 1nnr s ASN 92 Ca 0.31 1.81 0.02 0.00 0.42 0.00 0.00 52.86 55.42 1nnr s ASN 92 Cb -0.18 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.06 1nnr s ASN 92 CO 0.17 -1.24 0.02 0.54 -3.72 0.00 0.00 177.10 172.88 1nnr n ARG 93 N 7.63 2.62 -1.47 0.43 5.12 -1.26 -5.02 116.66 124.71 1nnr n ARG 93 Ca 0.19 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.81 1nnr n ARG 93 Cb 0.45 -1.05 0.20 0.00 -1.16 0.00 0.00 32.46 30.89 1nnr n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1nnr s SER 94 N -2.96 2.21 0.40 0.55 1.04 -1.26 -5.03 113.70 108.64 1nnr s SER 94 Ca -0.01 0.58 -0.27 0.00 0.48 0.00 0.00 55.95 56.73 1nnr s SER 94 Cb 0.01 -0.82 -0.09 0.00 0.10 0.00 0.00 66.02 65.22 1nnr s SER 94 CO 0.09 -3.32 1.36 -0.70 0.98 0.00 0.00 173.24 171.64 1nnr s GLU 95 N -5.54 3.99 0.00 4.02 -6.30 -1.26 -4.83 118.70 108.77 1nnr s GLU 95 Ca 0.71 2.28 0.00 0.00 -2.50 0.00 0.00 54.97 55.46 1nnr s GLU 95 Cb -0.09 -2.82 0.00 0.00 0.00 0.00 0.00 34.13 31.23 1nnr s GLU 95 CO 0.54 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1nnr n GLY 96 N 0.64 -0.76 3.74 -1.50 0.00 -1.26 -4.92 105.19 101.13 1nnr n GLY 96 Ca 0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1nnr n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nnr s ASP 97 N -2.10 7.27 0.01 1.61 1.01 -1.23 -4.86 116.67 118.37 1nnr s ASP 97 Ca 0.00 2.15 -0.03 0.00 0.71 0.00 0.00 52.55 55.37 1nnr s ASP 97 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1nnr s ASP 97 CO 0.00 -0.19 0.06 -0.44 0.21 0.00 0.00 175.17 174.81 1nnr s SER 98 N -0.38 0.11 -0.07 0.27 0.01 -1.26 -0.77 113.70 111.62 1nnr s SER 98 Ca 0.48 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1nnr s SER 98 Cb -0.30 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1nnr s SER 98 CO 0.37 -0.29 0.02 0.12 0.41 0.00 0.00 173.24 173.86 1nnr s PHE 99 N -1.23 0.52 -0.23 2.43 5.36 -0.50 -4.61 117.98 119.73 1nnr s PHE 99 Ca -0.13 -0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 55.68 1nnr s PHE 99 Cb -0.08 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.84 1nnr s PHE 99 CO 0.00 -0.30 0.09 0.71 -1.46 0.00 0.00 175.22 174.26 1nnr s TYR 100 N 2.02 3.18 0.09 10.12 1.51 -1.26 -0.78 117.35 132.23 1nnr s TYR 100 Ca 0.05 -0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 1nnr s TYR 100 Cb -0.12 -2.20 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1nnr s TYR 100 CO -0.05 -0.11 0.29 -0.59 -1.11 0.00 0.00 175.55 173.98 1nnr s PHE 101 N 1.13 -0.03 0.02 2.71 -0.12 -0.41 -3.23 117.98 118.06 1nnr s PHE 101 Ca 0.05 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.65 1nnr s PHE 101 Cb -0.14 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1nnr s PHE 101 CO 0.04 -0.59 0.03 -0.51 -0.05 0.00 0.00 175.22 174.13 1nnr s LEU 102 N -2.68 3.63 0.71 -1.99 1.43 -0.26 0.10 118.68 119.62 1nnr s LEU 102 Ca 0.02 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1nnr s LEU 102 Cb 0.03 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.19 1nnr s LEU 102 CO -0.10 0.25 0.99 1.51 0.23 0.00 0.00 176.35 179.23 1nnr s ASP 103 N -1.81 4.51 0.57 2.29 -4.77 -0.60 -4.50 116.67 112.36 1nnr s ASP 103 Ca 0.22 -0.01 0.27 0.00 -3.30 0.00 0.00 52.55 49.74 1nnr s ASP 103 Cb -0.12 -0.51 1.58 0.00 -1.09 0.00 0.00 42.92 42.78 1nnr s ASP 103 CO 0.14 -1.75 2.09 -0.65 0.70 0.00 0.00 175.17 175.70 1nnr h PRO 104 N -0.55 0.00 -0.01 2.11 0.11 -1.93 -0.95 132.00 130.77 1nnr h PRO 104 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1nnr h PRO 104 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1nnr h PRO 104 CO 0.48 0.00 -0.30 -0.25 -0.21 0.00 0.00 178.00 177.71 1nnr n ASP 105 N -3.98 1.64 0.00 -2.05 9.92 -1.26 -4.94 116.55 115.89 1nnr n ASP 105 Ca 0.02 -1.30 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 1nnr n ASP 105 Cb 0.34 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1nnr n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nnr n GLY 106 N 1.36 0.84 3.68 0.44 0.00 -0.36 -4.35 105.19 106.79 1nnr n GLY 106 Ca 0.12 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1nnr n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nnr n HIS 107 N -2.31 2.46 -2.34 1.61 8.25 -1.26 -4.69 115.22 116.93 1nnr n HIS 107 Ca 0.00 -0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1nnr n HIS 107 Cb 0.00 -2.66 -0.02 0.00 1.12 0.00 0.00 29.99 28.42 1nnr n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nnr s ARG 108 N 2.53 4.25 0.34 -0.41 0.52 -1.26 -1.56 118.95 123.35 1nnr s ARG 108 Ca 0.84 1.78 0.08 0.00 -0.52 0.00 0.00 55.73 57.90 1nnr s ARG 108 Cb -0.59 -3.75 -0.07 0.00 0.52 0.00 0.00 34.95 31.07 1nnr s ARG 108 CO 0.41 -0.68 -0.05 -0.51 0.02 0.00 0.00 175.30 174.48 1nnr s LEU 109 N 3.30 2.66 -0.22 2.53 1.43 0.28 -1.84 118.68 126.83 1nnr s LEU 109 Ca 0.59 -1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.25 1nnr s LEU 109 Cb -0.25 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.18 1nnr s LEU 109 CO 0.19 -0.31 0.58 -0.70 0.23 0.00 0.00 176.35 176.34 1nnr s GLU 110 N -3.68 0.66 -0.23 1.70 2.12 0.18 -1.29 118.70 118.17 1nnr s GLU 110 Ca 0.33 0.83 -0.07 0.00 0.36 0.00 0.00 54.97 56.42 1nnr s GLU 110 Cb 0.05 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 1nnr s GLU 110 CO 0.16 -0.09 0.05 0.00 -0.54 0.00 0.00 175.26 174.84 1nnr s ALA 111 N 0.46 3.14 -0.03 6.30 0.00 0.04 0.12 121.76 131.80 1nnr s ALA 111 Ca -0.01 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1nnr s ALA 111 Cb -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1nnr s ALA 111 CO -0.01 -0.37 -0.10 -1.58 0.00 0.00 0.00 175.76 173.70 1nnr s HIS 112 N 1.39 1.04 -0.37 0.00 5.04 -0.18 -1.41 115.29 120.79 1nnr s HIS 112 Ca 0.05 -0.27 -0.13 0.00 -1.54 0.00 0.00 55.06 53.17 1nnr s HIS 112 Cb -0.15 -0.74 0.01 0.00 0.04 0.00 0.00 32.58 31.75 1nnr s HIS 112 CO 0.03 -0.11 0.25 0.08 -2.34 0.00 0.00 174.74 172.64 1nnr s VAL 113 N 0.20 5.01 -4.61 0.89 1.01 0.05 -3.02 120.40 119.94 1nnr s VAL 113 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1nnr s VAL 113 Cb -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1nnr s VAL 113 CO 0.01 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1nnr n GLY 114 N 5.09 0.94 1.25 4.51 0.00 -1.26 -3.57 105.19 112.15 1nnr n GLY 114 Ca -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 1nnr n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nnr n ASP 115 N 0.63 -0.75 -0.20 1.61 5.68 -1.26 -5.00 116.55 117.26 1nnr n ASP 115 Ca 0.00 -1.54 -0.08 0.00 -0.50 0.00 0.00 54.79 52.66 1nnr n ASP 115 Cb 0.00 1.26 0.02 0.00 -1.14 0.00 0.00 41.12 41.25 1nnr n ASP 115 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1nnr h LEU 116 N 0.00 0.84 -0.90 -2.12 5.85 -2.01 -2.79 115.31 114.18 1nnr h LEU 116 Ca -0.11 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1nnr h LEU 116 Cb 0.41 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1nnr h LEU 116 CO 0.14 0.85 0.57 0.03 -0.34 0.00 0.00 178.44 179.70 1nnr h ARG 117 N 0.79 1.05 -0.48 1.25 3.08 -1.99 -0.83 114.38 117.25 1nnr h ARG 117 Ca 0.17 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1nnr h ARG 117 Cb 0.34 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1nnr h ARG 117 CO 0.00 0.69 0.01 0.66 -1.07 0.00 0.00 179.97 180.27 1nnr h SER 118 N 1.08 0.75 -0.22 7.04 4.64 -1.91 -2.07 113.55 122.85 1nnr h SER 118 Ca 0.37 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 1nnr h SER 118 Cb 0.08 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1nnr h SER 118 CO -0.14 0.81 -0.33 -0.09 -0.87 0.00 0.00 176.83 176.21 1nnr h ARG 119 N 0.73 0.61 -0.60 4.77 9.65 -1.19 -2.19 114.38 126.16 1nnr h ARG 119 Ca 0.15 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1nnr h ARG 119 Cb 0.43 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1nnr h ARG 119 CO 0.02 0.97 0.38 -0.07 2.80 0.00 0.00 179.97 184.07 1nnr h LEU 120 N 0.30 0.71 -0.17 3.80 3.38 -1.17 -0.62 115.31 121.53 1nnr h LEU 120 Ca 0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nnr h LEU 120 Cb 0.91 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1nnr h LEU 120 CO 0.08 0.55 -0.03 0.00 0.09 0.00 0.00 178.44 179.12 1nnr h ALA 121 N 1.20 0.12 -0.98 1.53 0.00 -1.20 -0.54 119.26 119.40 1nnr h ALA 121 Ca 0.22 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1nnr h ALA 121 Cb -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1nnr h ALA 121 CO -0.04 -0.47 0.63 0.00 0.00 0.00 0.00 179.25 179.37 1nnr h ALA 122 N 1.17 1.33 -0.34 0.00 0.00 -1.33 -2.98 119.26 117.11 1nnr h ALA 122 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1nnr h ALA 122 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nnr h ALA 122 CO -0.17 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.34 1nnr h ARG 124 N 0.57 1.04 0.00 0.00 3.08 -0.99 0.55 114.38 118.64 1nnr h ARG 124 Ca 0.09 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 1nnr h ARG 124 Cb 0.65 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1nnr h ARG 124 CO 0.05 0.76 -1.22 1.96 -1.07 0.00 0.00 179.97 180.45 1nnr h GLN 125 N 1.05 0.00 -2.21 0.04 4.20 -1.44 -3.39 115.11 113.37 1nnr h GLN 125 Ca 0.27 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.40 1nnr h GLN 125 Cb 0.01 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.40 1nnr h GLN 125 CO -0.04 0.55 -1.00 0.00 -0.67 0.00 0.00 178.83 177.67 1nnr n ALA 126 N -2.39 2.75 -1.77 3.87 0.00 0.67 -5.12 120.51 118.53 1nnr n ALA 126 Ca -0.07 -3.43 -0.40 0.00 0.00 0.00 0.00 53.44 49.54 1nnr n ALA 126 Cb 0.90 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1nnr n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nnr s PRO 127 N -0.80 4.39 1.00 0.00 0.04 0.16 -4.52 135.00 135.27 1nnr s PRO 127 Ca 0.34 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 1nnr s PRO 127 Cb 0.11 -3.02 0.19 0.00 0.04 0.00 0.00 34.50 31.81 1nnr s PRO 127 CO -0.14 -0.07 1.08 0.71 0.04 0.00 0.00 177.00 178.62 1nnr s TYR 128 N -1.21 1.97 0.07 0.56 4.12 -1.26 -4.91 117.35 116.69 1nnr s TYR 128 Ca 0.49 1.18 -0.31 0.00 0.02 0.00 0.00 57.07 58.46 1nnr s TYR 128 Cb -0.35 -3.19 -0.10 0.00 -1.52 0.00 0.00 41.96 36.80 1nnr s TYR 128 CO 0.45 -2.94 1.92 0.00 0.02 0.00 0.00 175.55 175.00 1nnr n ALA 129 N -4.25 1.83 -0.71 3.71 0.00 -1.26 -2.33 120.51 117.50 1nnr n ALA 129 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nnr n ALA 129 Cb 0.55 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1nnr n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnr n GLY 130 N 4.43 0.58 3.74 0.00 0.00 -1.26 -5.00 105.19 107.69 1nnr n GLY 130 Ca 0.19 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1nnr n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nnr s MET 131 N -1.43 4.73 -0.05 1.61 0.00 -0.98 -5.02 119.30 118.16 1nnr s MET 131 Ca 0.00 1.54 -0.02 0.00 0.00 0.00 0.00 55.69 57.22 1nnr s MET 131 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 34.83 31.56 1nnr s MET 131 CO 0.00 0.30 0.09 1.03 0.00 0.00 0.00 175.02 176.44 1nnr s ARG 132 N -0.62 0.01 0.31 4.11 3.00 -1.26 -5.00 118.95 119.50 1nnr s ARG 132 Ca 0.45 0.33 0.07 0.00 0.00 0.00 0.00 55.73 56.58 1nnr s ARG 132 Cb -0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 34.95 34.40 1nnr s ARG 132 CO 0.32 -0.21 0.37 -0.06 0.00 0.00 0.00 175.30 175.72 1nnr s PHE 133 N 1.44 3.10 -2.82 -0.53 0.40 -1.26 -5.20 117.98 113.12 1nnr s PHE 133 Ca -0.05 -0.20 0.25 0.00 -0.60 0.00 0.00 56.93 56.33 1nnr s PHE 133 Cb -0.12 -1.80 0.50 0.00 0.51 0.00 0.00 43.02 42.11 1nnr s PHE 133 CO -0.04 0.18 1.44 0.00 0.70 0.00 0.00 175.22 177.49