#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfr s SER 2 N 0.00 -1.47 -0.29 1.61 1.04 -1.26 -5.15 113.70 108.18 1wfr s SER 2 Ca 0.00 0.28 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 1wfr s SER 2 Cb 0.00 2.00 0.19 0.00 0.10 0.00 0.00 66.02 68.31 1wfr s SER 2 CO 0.00 -0.30 1.41 -0.55 0.98 0.00 0.00 173.24 174.78 1wfr s SER 3 N 2.82 -0.07 -0.03 7.02 0.15 -1.26 -5.17 113.70 117.15 1wfr s SER 3 Ca 0.12 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1wfr s SER 3 Cb -0.11 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1wfr s SER 3 CO -0.25 -0.03 -0.03 -0.83 1.20 0.00 0.00 173.24 173.30 1wfr s GLY 4 N -0.16 0.35 -0.30 9.45 0.00 -1.26 -4.87 107.32 110.54 1wfr s GLY 4 Ca 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.63 1wfr s GLY 4 CO -0.14 0.44 1.27 -1.35 0.00 0.00 0.00 173.10 173.32 1wfr s SER 5 N 0.85 -0.11 -0.08 1.64 1.04 -1.26 -5.12 113.70 110.66 1wfr s SER 5 Ca -0.10 0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 1wfr s SER 5 Cb -0.13 0.80 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 1wfr s SER 5 CO -0.00 -0.03 2.05 -0.55 0.98 0.00 0.00 173.24 175.68 1wfr s SER 6 N 0.78 6.05 1.22 7.02 0.15 -1.26 -4.49 113.70 123.16 1wfr s SER 6 Ca -0.04 2.31 -0.18 0.00 0.70 0.00 0.00 55.95 58.75 1wfr s SER 6 Cb -0.03 -2.52 0.25 0.00 -1.71 0.00 0.00 66.02 62.00 1wfr s SER 6 CO -0.12 -1.43 0.57 0.61 1.20 0.00 0.00 173.24 174.08 1wfr n GLY 7 N 5.03 -2.76 0.12 9.45 0.00 -1.26 -4.88 105.19 110.89 1wfr n GLY 7 Ca 0.24 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 1wfr n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wfr n MET 8 N -3.85 0.57 -3.47 1.61 0.00 -1.26 -4.83 117.12 105.89 1wfr n MET 8 Ca 0.05 0.40 -0.43 0.00 -0.00 0.00 0.00 57.70 57.72 1wfr n MET 8 Cb 0.55 -1.60 -0.08 0.00 0.00 0.00 0.00 33.22 32.08 1wfr n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wfr s GLU 9 N -2.46 2.81 0.43 2.12 2.02 -1.26 -5.07 118.70 117.29 1wfr s GLU 9 Ca -0.33 -1.45 0.07 0.00 0.02 0.00 0.00 54.97 53.28 1wfr s GLU 9 Cb 0.10 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.31 1wfr s GLU 9 CO 0.51 -1.04 0.36 -0.51 0.02 0.00 0.00 175.26 174.60 1wfr s LEU 10 N 1.54 3.27 -1.47 1.80 1.43 -1.26 -4.61 118.68 119.38 1wfr s LEU 10 Ca 0.04 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1wfr s LEU 10 Cb -0.24 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1wfr s LEU 10 CO 0.04 -0.70 0.64 0.49 0.23 0.00 0.00 176.35 177.05 1wfr n PHE 11 N -1.54 -2.01 -2.79 0.29 3.01 -1.26 -4.97 117.46 108.19 1wfr n PHE 11 Ca 0.03 0.56 -0.24 0.00 1.01 0.00 0.00 57.45 58.81 1wfr n PHE 11 Cb 0.62 -4.10 0.02 0.00 -0.01 0.00 0.00 39.48 36.02 1wfr n PHE 11 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1wfr s THR 12 N -3.13 3.94 0.33 4.37 -4.23 -1.26 -4.80 115.64 110.86 1wfr s THR 12 Ca 0.37 -0.31 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 1wfr s THR 12 Cb -0.17 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.50 1wfr s THR 12 CO 0.45 -0.40 1.80 -0.08 -0.54 0.00 0.00 174.62 175.85 1wfr h GLU 13 N 0.22 0.66 0.58 3.99 4.22 -1.93 0.79 114.58 123.12 1wfr h GLU 13 Ca -0.46 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 58.91 1wfr h GLU 13 Cb 1.25 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1wfr h GLU 13 CO 0.58 0.44 -0.28 0.00 -2.18 0.00 0.00 179.01 177.58 1wfr h ALA 14 N 1.63 -0.78 -0.83 2.92 0.00 -1.99 -1.44 119.26 118.78 1wfr h ALA 14 Ca 0.55 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1wfr h ALA 14 Cb 0.96 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1wfr h ALA 14 CO -0.32 -0.89 0.55 2.35 0.00 0.00 0.00 179.25 180.93 1wfr h TRP 15 N -0.86 1.02 -0.59 0.00 7.01 -1.74 0.22 115.95 121.00 1wfr h TRP 15 Ca -0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1wfr h TRP 15 Cb 0.63 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 1wfr h TRP 15 CO -0.02 0.62 0.36 0.00 -2.79 0.00 0.00 178.44 176.61 1wfr h ALA 16 N 1.50 0.76 0.11 2.65 0.00 -0.71 0.17 119.26 123.74 1wfr h ALA 16 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1wfr h ALA 16 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1wfr h ALA 16 CO -0.08 0.23 -0.06 1.96 0.00 0.00 0.00 179.25 181.31 1wfr h GLN 17 N 0.80 -0.15 -0.75 0.00 4.20 -0.68 -2.85 115.11 115.68 1wfr h GLN 17 Ca 0.21 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.06 1wfr h GLN 17 Cb -0.03 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1wfr h GLN 17 CO -0.04 0.30 0.35 0.00 -0.67 0.00 0.00 178.83 178.77 1wfr h ALA 18 N -0.40 1.07 -0.06 3.87 0.00 -0.60 0.92 119.26 124.06 1wfr h ALA 18 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wfr h ALA 18 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wfr h ALA 18 CO 0.03 -0.12 -0.17 -0.92 0.00 0.00 0.00 179.25 178.07 1wfr h TYR 19 N 0.55 0.10 -0.27 0.00 3.20 -0.75 0.16 116.97 119.96 1wfr h TYR 19 Ca 0.40 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 1wfr h TYR 19 Cb 0.52 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1wfr h TYR 19 CO -0.13 0.27 -0.24 0.00 -1.64 0.00 0.00 178.16 176.43 1wfr h ARG 21 N 0.37 0.57 -1.03 0.00 3.08 -1.00 -3.21 114.38 113.16 1wfr h ARG 21 Ca 0.05 -0.55 0.27 0.00 0.07 0.00 0.00 59.98 59.81 1wfr h ARG 21 Cb 0.80 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.91 1wfr h ARG 21 CO 0.06 1.17 0.68 -0.22 -1.07 0.00 0.00 179.97 180.60 1wfr h LYS 22 N 0.17 0.31 -0.49 0.04 1.63 -0.74 0.23 116.57 117.73 1wfr h LYS 22 Ca -0.08 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 1wfr h LYS 22 Cb 1.39 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1wfr h LYS 22 CO 0.14 0.21 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.14 1wfr h LEU 23 N 0.32 0.98 -2.10 5.20 3.38 -1.54 -2.70 115.31 118.86 1wfr h LEU 23 Ca 0.56 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1wfr h LEU 23 Cb 1.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1wfr h LEU 23 CO -0.22 1.12 0.31 0.78 0.09 0.00 0.00 178.44 180.52 1wfr h ASN 24 N 0.82 0.00 -0.13 -0.43 2.35 -0.60 0.25 115.58 117.83 1wfr h ASN 24 Ca 0.12 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.68 1wfr h ASN 24 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1wfr h ASN 24 CO 0.05 0.00 -0.64 -0.33 -1.65 0.00 0.00 177.43 174.86 1wfr h GLU 25 N 0.00 0.75 -6.31 0.81 5.08 -1.36 -3.40 114.58 110.16 1wfr h GLU 25 Ca 0.15 -0.53 -0.54 0.00 -1.00 0.00 0.00 59.36 57.43 1wfr h GLU 25 Cb 0.77 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 1wfr h GLU 25 CO -0.00 1.15 1.13 0.45 -1.00 0.00 0.00 179.01 180.74 1wfr s SER 26 N -7.00 6.16 0.27 1.42 0.15 0.07 -4.86 113.70 109.92 1wfr s SER 26 Ca -0.09 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 55.97 1wfr s SER 26 Cb 0.10 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 62.19 1wfr s SER 26 CO 0.88 -1.82 1.85 -0.08 1.20 0.00 0.00 173.24 175.27 1wfr h GLU 27 N 10.20 1.00 -0.65 5.44 4.81 -1.80 -2.73 114.58 130.86 1wfr h GLU 27 Ca -0.21 -0.16 0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1wfr h GLU 27 Cb 1.05 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 1wfr h GLU 27 CO 1.30 0.80 0.26 0.00 -0.73 0.00 0.00 179.01 180.64 1wfr h ALA 28 N 1.33 0.86 0.79 2.92 0.00 -1.94 -2.38 119.26 120.85 1wfr h ALA 28 Ca 0.23 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1wfr h ALA 28 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wfr h ALA 28 CO -0.02 -0.16 -0.45 -0.92 0.00 0.00 0.00 179.25 177.69 1wfr h TYR 29 N 0.45 -1.20 -1.00 0.00 3.20 -1.82 0.29 116.97 116.89 1wfr h TYR 29 Ca 0.33 -0.02 0.36 0.00 3.14 0.00 0.00 58.73 62.54 1wfr h TYR 29 Cb 0.40 0.42 -0.16 0.00 1.54 0.00 0.00 36.73 38.93 1wfr h TYR 29 CO -0.15 -0.69 0.56 -0.09 -1.64 0.00 0.00 178.16 176.14 1wfr h ARG 30 N -1.15 0.19 0.03 1.82 2.43 -1.43 1.19 114.38 117.46 1wfr h ARG 30 Ca -0.11 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 1wfr h ARG 30 Cb 0.91 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1wfr h ARG 30 CO 0.13 0.13 -0.99 0.87 -1.51 0.00 0.00 179.97 178.59 1wfr h LYS 31 N 0.20 0.16 -0.52 0.20 1.57 -1.04 -2.69 116.57 114.45 1wfr h LYS 31 Ca 0.78 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 59.22 1wfr h LYS 31 Cb 1.90 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.27 1wfr h LYS 31 CO -0.67 1.03 -0.14 0.00 -0.57 0.00 0.00 179.45 179.09 1wfr h ALA 32 N 0.89 0.75 -0.84 3.86 0.00 0.51 -2.98 119.26 121.45 1wfr h ALA 32 Ca -0.06 -0.37 -0.44 0.00 0.00 0.00 0.00 54.91 54.04 1wfr h ALA 32 Cb 1.68 -0.19 -0.26 0.00 0.00 0.00 0.00 17.79 19.03 1wfr h ALA 32 CO 0.15 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.54 1wfr n ALA 33 N -2.51 5.33 -1.68 0.00 0.00 0.62 -4.53 120.51 117.75 1wfr n ALA 33 Ca 0.01 -3.01 -0.35 0.00 0.00 0.00 0.00 53.44 50.09 1wfr n ALA 33 Cb 0.42 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1wfr n ALA 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wfr s SER 34 N -1.67 5.17 0.00 0.00 1.04 -1.01 -2.23 113.70 115.00 1wfr s SER 34 Ca 0.54 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.26 1wfr s SER 34 Cb 0.46 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1wfr s SER 34 CO 0.07 -1.60 0.00 0.41 0.98 0.00 0.00 173.24 173.11 1wfr n THR 35 N -1.77 0.00 -2.05 2.02 -1.04 -1.26 -4.86 114.28 105.32 1wfr n THR 35 Ca 0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 1wfr n THR 35 Cb 0.50 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 1wfr n THR 35 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1wfr s TRP 36 N -1.35 3.09 -0.04 -1.42 -0.11 -1.11 -4.82 118.94 113.18 1wfr s TRP 36 Ca 0.00 0.98 0.01 0.00 1.22 0.00 0.00 56.10 58.31 1wfr s TRP 36 Cb 0.00 -3.79 0.02 0.00 -1.50 0.00 0.00 33.47 28.20 1wfr s TRP 36 CO 0.00 -2.64 -0.06 -1.21 -4.62 0.00 0.00 176.95 168.42 1wfr s GLU 37 N 0.12 0.95 0.00 5.86 2.02 -1.26 0.56 118.70 126.94 1wfr s GLU 37 Ca 0.61 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1wfr s GLU 37 Cb -0.41 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 32.92 1wfr s GLU 37 CO 0.39 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1wfr n GLY 38 N 3.92 0.86 3.40 -1.39 0.00 -1.04 -5.02 105.19 105.91 1wfr n GLY 38 Ca -0.25 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 1wfr n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfr s SER 39 N -1.10 3.56 -0.14 1.61 1.04 -1.26 -1.51 113.70 115.90 1wfr s SER 39 Ca 0.00 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1wfr s SER 39 Cb 0.00 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 1wfr s SER 39 CO 0.00 0.33 0.08 -0.22 0.98 0.00 0.00 173.24 174.41 1wfr s LEU 40 N -0.67 3.96 -0.09 2.42 2.96 0.20 -2.42 118.68 125.04 1wfr s LEU 40 Ca 0.11 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1wfr s LEU 40 Cb -0.10 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1wfr s LEU 40 CO -0.00 0.30 -0.16 0.00 -1.32 0.00 0.00 176.35 175.17 1wfr s ALA 41 N -0.37 1.64 -0.43 5.97 0.00 0.15 0.87 121.76 129.59 1wfr s ALA 41 Ca 0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 1wfr s ALA 41 Cb -0.12 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.34 1wfr s ALA 41 CO 0.02 0.03 0.28 -0.51 0.00 0.00 0.00 175.76 175.58 1wfr s LEU 42 N 0.80 5.30 -0.04 0.00 1.43 -0.01 -1.89 118.68 124.26 1wfr s LEU 42 Ca -0.11 -1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 51.19 1wfr s LEU 42 Cb -0.16 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1wfr s LEU 42 CO 0.02 -0.58 0.47 0.00 0.23 0.00 0.00 176.35 176.48 1wfr s ALA 43 N 1.39 3.58 -0.21 4.21 0.00 0.14 -2.11 121.76 128.76 1wfr s ALA 43 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1wfr s ALA 43 Cb -0.24 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1wfr s ALA 43 CO 0.01 0.26 -0.06 0.08 0.00 0.00 0.00 175.76 176.05 1wfr s VAL 44 N -0.34 3.26 0.37 0.00 1.01 0.59 -2.81 120.40 122.47 1wfr s VAL 44 Ca 0.26 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1wfr s VAL 44 Cb -0.16 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.62 1wfr s VAL 44 CO 0.13 0.44 0.89 0.54 0.00 0.00 0.00 175.10 177.09 1wfr n ARG 45 N 4.75 1.13 -2.24 2.72 1.74 -0.58 -2.74 116.66 121.43 1wfr n ARG 45 Ca -0.18 0.40 -0.41 0.00 -0.77 0.00 0.00 57.85 56.89 1wfr n ARG 45 Cb 0.51 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1wfr n ARG 45 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wfr s PRO 46 N -1.73 4.42 -0.27 5.56 0.04 -1.26 -4.44 135.00 137.32 1wfr s PRO 46 Ca 0.62 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.52 1wfr s PRO 46 Cb -0.63 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 30.81 1wfr s PRO 46 CO 0.58 -0.17 0.69 0.34 0.04 0.00 0.00 177.00 178.47 1wfr s ASP 47 N 0.01 -0.86 0.25 6.66 -1.08 0.24 -4.86 116.67 117.04 1wfr s ASP 47 Ca 0.53 1.47 0.03 0.00 -0.52 0.00 0.00 52.55 54.05 1wfr s ASP 47 Cb -0.36 1.39 0.31 0.00 -1.46 0.00 0.00 42.92 42.79 1wfr s ASP 47 CO 0.41 -0.24 1.62 1.55 0.52 0.00 0.00 175.17 179.04 1wfr h PRO 48 N 6.35 0.38 -1.10 4.34 0.13 -1.95 -0.79 132.00 139.37 1wfr h PRO 48 Ca -0.30 -0.20 0.33 0.00 -0.87 0.00 0.00 66.00 64.96 1wfr h PRO 48 Cb 1.21 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1wfr h PRO 48 CO 0.13 0.76 0.69 -0.22 -0.23 0.00 0.00 178.00 179.13 1wfr h LYS 49 N 0.31 0.30 0.00 0.86 3.64 -1.96 0.11 116.57 119.83 1wfr h LYS 49 Ca 0.02 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1wfr h LYS 49 Cb 0.91 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1wfr h LYS 49 CO 0.08 0.20 -2.01 0.00 -2.27 0.00 0.00 179.45 175.44 1wfr n ALA 50 N -2.42 1.56 0.00 5.00 0.00 -1.18 -5.01 120.51 118.46 1wfr n ALA 50 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1wfr n ALA 50 Cb 1.05 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1wfr n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfr n GLY 51 N 1.63 0.98 2.63 0.00 0.00 0.38 -5.06 105.19 105.75 1wfr n GLY 51 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1wfr n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wfr s PHE 52 N -1.89 -0.12 -1.93 1.61 0.40 -0.34 -4.98 117.98 110.74 1wfr s PHE 52 Ca 0.00 -1.32 0.15 0.00 -0.60 0.00 0.00 56.93 55.16 1wfr s PHE 52 Cb 0.00 -0.41 0.91 0.00 0.51 0.00 0.00 43.02 44.02 1wfr s PHE 52 CO 0.00 -1.00 1.35 -0.35 0.70 0.00 0.00 175.22 175.92 1wfr n PRO 53 N 3.40 0.45 0.00 0.24 -0.04 -1.26 0.82 135.00 138.61 1wfr n PRO 53 Ca 0.20 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1wfr n PRO 53 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1wfr n PRO 53 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wfr n LYS 54 N -1.03 3.48 -0.14 0.54 0.00 -1.26 -4.75 118.16 114.99 1wfr n LYS 54 Ca 0.11 -0.06 0.02 0.00 -0.00 0.00 0.00 58.31 58.38 1wfr n LYS 54 Cb 0.06 -0.41 -0.00 0.00 -0.00 0.00 0.00 35.03 34.68 1wfr n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfr n GLY 55 N 0.51 -2.15 3.15 2.58 0.00 -0.93 -4.01 105.19 104.34 1wfr n GLY 55 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1wfr n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfr s VAL 56 N -0.85 0.08 0.07 1.61 0.11 -1.11 -3.96 120.40 116.35 1wfr s VAL 56 Ca 0.00 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1wfr s VAL 56 Cb 0.00 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1wfr s VAL 56 CO 0.00 -0.36 -0.18 0.00 -3.33 0.00 0.00 175.10 171.23 1wfr s ALA 57 N -1.49 1.53 -0.11 1.54 0.00 -0.11 -0.30 121.76 122.82 1wfr s ALA 57 Ca -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1wfr s ALA 57 Cb -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1wfr s ALA 57 CO 0.02 0.30 -0.01 0.08 0.00 0.00 0.00 175.76 176.15 1wfr s VAL 58 N -1.06 0.56 0.55 0.00 1.01 -0.90 -0.76 120.40 119.80 1wfr s VAL 58 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1wfr s VAL 58 Cb -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1wfr s VAL 58 CO 0.03 0.16 0.88 -0.69 0.00 0.00 0.00 175.10 175.48 1wfr s VAL 59 N 1.88 4.48 -0.44 2.92 1.01 0.12 -0.83 120.40 129.54 1wfr s VAL 59 Ca 0.03 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1wfr s VAL 59 Cb -0.14 -3.74 0.18 0.00 0.00 0.00 0.00 36.38 32.68 1wfr s VAL 59 CO -0.06 -0.81 0.61 -0.76 0.00 0.00 0.00 175.10 174.08 1wfr s LEU 60 N -4.93 -1.14 -0.48 3.92 1.43 0.25 -3.70 118.68 114.04 1wfr s LEU 60 Ca 0.51 -1.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.03 1wfr s LEU 60 Cb -0.11 1.61 -0.02 0.00 0.03 0.00 0.00 46.19 47.71 1wfr s LEU 60 CO 0.47 -0.15 1.85 -0.62 0.23 0.00 0.00 176.35 178.13 1wfr s ASP 61 N 1.40 5.53 -0.16 2.29 2.15 0.05 -0.63 116.67 127.31 1wfr s ASP 61 Ca 0.21 0.80 -0.02 0.00 0.43 0.00 0.00 52.55 53.97 1wfr s ASP 61 Cb -0.04 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 1wfr s ASP 61 CO -0.06 -2.09 -0.07 -0.76 -0.17 0.00 0.00 175.17 172.02 1wfr s LEU 62 N 8.19 3.02 -0.32 -1.34 1.43 -0.57 -0.25 118.68 128.84 1wfr s LEU 62 Ca 0.74 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1wfr s LEU 62 Cb -0.17 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.42 1wfr s LEU 62 CO 0.27 0.14 0.00 0.26 0.23 0.00 0.00 176.35 177.26 1wfr s TRP 63 N 0.51 3.58 -0.98 0.29 0.23 0.14 -2.51 118.94 120.20 1wfr s TRP 63 Ca -0.05 -2.71 -0.02 0.00 -2.03 0.00 0.00 56.10 51.29 1wfr s TRP 63 Cb -0.15 -2.59 0.00 0.00 0.03 0.00 0.00 33.47 30.76 1wfr s TRP 63 CO 0.03 -0.92 0.83 0.72 0.96 0.00 0.00 176.95 178.57 1wfr n HIS 64 N 4.34 -1.87 0.00 -1.98 8.25 0.19 -2.32 115.22 121.83 1wfr n HIS 64 Ca -0.03 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1wfr n HIS 64 Cb 0.42 -4.37 0.00 0.00 1.12 0.00 0.00 29.99 27.16 1wfr n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wfr n GLY 65 N -1.26 2.78 3.88 -1.41 0.00 -0.95 -4.50 105.19 103.73 1wfr n GLY 65 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1wfr n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfr s ALA 66 N -0.74 3.09 -0.16 4.61 0.00 -0.98 -4.24 121.76 123.34 1wfr s ALA 66 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1wfr s ALA 66 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1wfr s ALA 66 CO 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 175.76 174.96 1wfr n ARG 68 N 3.72 0.52 -3.93 0.00 3.00 0.66 -4.90 116.66 115.73 1wfr n ARG 68 Ca -0.17 0.30 -0.10 0.00 -0.00 0.00 0.00 57.85 57.87 1wfr n ARG 68 Cb 0.52 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.47 1wfr n ARG 68 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1wfr s GLY 69 N -4.85 0.69 -0.05 5.14 0.00 -1.22 -5.02 107.32 102.01 1wfr s GLY 69 Ca -0.27 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.24 1wfr s GLY 69 CO 0.40 -0.54 0.55 0.00 0.00 0.00 0.00 173.10 173.51 1wfr s ALA 70 N -2.95 -1.42 -0.12 3.20 0.00 -1.26 -0.77 121.76 118.44 1wfr s ALA 70 Ca 0.21 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1wfr s ALA 70 Cb -0.03 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1wfr s ALA 70 CO 0.13 -0.32 0.31 -1.59 0.00 0.00 0.00 175.76 174.29 1wfr s LYS 71 N -1.09 0.33 -0.07 0.00 -2.85 -1.24 -4.65 119.74 110.16 1wfr s LYS 71 Ca -0.11 0.53 -0.08 0.00 -1.00 0.00 0.00 55.97 55.31 1wfr s LYS 71 Cb -0.02 0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1wfr s LYS 71 CO 0.07 -0.10 0.22 0.00 0.10 0.00 0.00 175.35 175.64 1wfr s ALA 72 N 0.72 3.84 -0.14 0.59 0.00 -1.26 -0.70 121.76 124.80 1wfr s ALA 72 Ca -0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1wfr s ALA 72 Cb -0.06 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1wfr s ALA 72 CO -0.05 0.60 0.30 0.54 0.00 0.00 0.00 175.76 177.16 1wfr s VAL 73 N -1.09 -0.33 -0.20 0.00 0.11 0.06 -4.92 120.40 114.03 1wfr s VAL 73 Ca 0.19 0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 59.27 1wfr s VAL 73 Cb -0.13 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1wfr s VAL 73 CO 0.08 0.09 0.51 -1.83 -3.33 0.00 0.00 175.10 170.62 1wfr s GLU 74 N 2.09 4.19 0.00 1.54 -1.05 -1.26 -0.93 118.70 123.27 1wfr s GLU 74 Ca -0.03 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 1wfr s GLU 74 Cb -0.11 -3.56 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1wfr s GLU 74 CO -0.10 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.39 1wfr n GLY 75 N 3.87 2.47 2.80 -3.83 0.00 -1.25 -4.97 105.19 104.27 1wfr n GLY 75 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1wfr n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfr s GLU 76 N 0.00 0.55 0.00 1.61 2.02 -1.26 -5.00 118.70 116.62 1wfr s GLU 76 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1wfr s GLU 76 Cb 0.00 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.40 1wfr s GLU 76 CO 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 175.26 175.05 1wfr n ALA 77 N 4.77 0.00 -3.64 5.21 0.00 -1.26 -4.97 120.51 120.62 1wfr n ALA 77 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1wfr n ALA 77 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1wfr n ALA 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wfr s GLU 78 N -0.90 0.66 -0.08 0.00 -6.30 -1.26 -5.17 118.70 105.66 1wfr s GLU 78 Ca 0.00 1.14 -0.32 0.00 -2.50 0.00 0.00 54.97 53.29 1wfr s GLU 78 Cb 0.00 0.14 0.12 0.00 0.00 0.00 0.00 34.13 34.39 1wfr s GLU 78 CO 0.00 -0.14 1.17 0.00 0.02 0.00 0.00 175.26 176.31 1wfr s ALA 79 N 1.56 -2.05 -0.14 6.30 0.00 -1.26 -4.98 121.76 121.19 1wfr s ALA 79 Ca -0.10 1.10 0.27 0.00 0.00 0.00 0.00 51.96 53.23 1wfr s ALA 79 Cb -0.05 0.18 1.30 0.00 0.00 0.00 0.00 23.12 24.55 1wfr s ALA 79 CO -0.19 -0.80 1.82 -0.44 0.00 0.00 0.00 175.76 176.15 1wfr h ASP 80 N 2.00 0.00 -2.35 0.00 3.32 -1.91 -3.39 116.42 114.10 1wfr h ASP 80 Ca -0.19 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.57 1wfr h ASP 80 Cb 1.19 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 1wfr h ASP 80 CO 0.26 0.00 -0.60 -0.36 -1.72 0.00 0.00 179.24 176.82 1wfr s PHE 81 N -3.56 -0.40 -0.20 4.55 0.08 -1.02 -2.68 117.98 114.75 1wfr s PHE 81 Ca 0.00 0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 1wfr s PHE 81 Cb 0.09 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 1wfr s PHE 81 CO 0.34 -0.67 -0.14 0.08 -0.10 0.00 0.00 175.22 174.73 1wfr s VAL 82 N 2.37 2.49 -0.14 -0.44 1.01 -1.26 0.32 120.40 124.74 1wfr s VAL 82 Ca 0.08 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1wfr s VAL 82 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1wfr s VAL 82 CO -0.16 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 174.58 1wfr s ILE 83 N 1.33 2.45 -0.10 2.22 1.01 -0.79 0.01 121.20 127.33 1wfr s ILE 83 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1wfr s ILE 83 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1wfr s ILE 83 CO -0.09 0.53 -0.18 -0.70 0.00 0.00 0.00 174.94 174.49 1wfr s GLU 84 N 0.75 3.07 0.19 2.79 2.12 -0.74 0.25 118.70 127.13 1wfr s GLU 84 Ca -0.07 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.25 1wfr s GLU 84 Cb -0.16 -2.44 0.05 0.00 0.26 0.00 0.00 34.13 31.85 1wfr s GLU 84 CO 0.00 0.27 0.69 0.00 -0.54 0.00 0.00 175.26 175.69 1wfr s ALA 85 N 0.16 -1.49 0.26 6.30 0.00 -1.12 -3.35 121.76 122.51 1wfr s ALA 85 Ca -0.10 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1wfr s ALA 85 Cb -0.16 0.82 -0.13 0.00 0.00 0.00 0.00 23.12 23.65 1wfr s ALA 85 CO 0.06 -0.88 1.38 -0.25 0.00 0.00 0.00 175.76 176.07 1wfr n ASP 86 N -0.40 2.72 -0.33 0.00 9.92 -1.26 -1.52 116.55 125.68 1wfr n ASP 86 Ca -0.11 1.15 0.16 0.00 -0.53 0.00 0.00 54.79 55.47 1wfr n ASP 86 Cb 0.62 -1.43 0.36 0.00 -0.64 0.00 0.00 41.12 40.03 1wfr n ASP 86 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1wfr h LEU 87 N 3.91 0.51 -0.10 0.64 5.85 -1.91 -0.32 115.31 123.89 1wfr h LEU 87 Ca -0.45 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1wfr h LEU 87 Cb 1.28 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1wfr h LEU 87 CO 0.73 0.04 -0.21 0.00 -0.34 0.00 0.00 178.44 178.66 1wfr h ALA 88 N 1.73 -0.18 -0.58 1.25 0.00 -1.96 0.79 119.26 120.31 1wfr h ALA 88 Ca 0.62 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.64 1wfr h ALA 88 Cb 1.20 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1wfr h ALA 88 CO -0.51 -0.67 0.39 1.15 0.00 0.00 0.00 179.25 179.61 1wfr h THR 89 N -0.28 0.95 -0.19 0.00 2.02 -1.42 -1.24 112.91 112.76 1wfr h THR 89 Ca 0.09 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1wfr h THR 89 Cb 0.41 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1wfr h THR 89 CO -0.26 0.09 -0.32 -0.50 0.37 0.00 0.00 175.52 174.89 1wfr h TRP 90 N 0.48 0.68 -0.37 3.16 -0.00 -0.74 -2.93 115.95 116.23 1wfr h TRP 90 Ca 0.26 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1wfr h TRP 90 Cb 0.40 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 1wfr h TRP 90 CO -0.00 0.97 0.10 1.96 -0.00 0.00 0.00 178.44 181.46 1wfr h GLN 91 N 0.21 0.54 0.55 0.49 4.20 -0.09 -2.91 115.11 118.10 1wfr h GLN 91 Ca 0.01 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1wfr h GLN 91 Cb 0.91 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1wfr h GLN 91 CO 0.07 0.50 -0.26 0.93 -0.67 0.00 0.00 178.83 179.40 1wfr h GLU 92 N 0.53 -0.71 -0.38 1.46 5.08 -1.21 -0.28 114.58 119.08 1wfr h GLU 92 Ca 0.13 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1wfr h GLU 92 Cb 0.20 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1wfr h GLU 92 CO -0.00 -0.47 0.70 -0.24 -1.00 0.00 0.00 179.01 177.99 1wfr h VAL 93 N -0.83 0.12 0.19 3.13 3.04 -1.50 0.53 116.25 120.93 1wfr h VAL 93 Ca -0.08 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.27 1wfr h VAL 93 Cb 0.56 0.38 0.01 0.00 -2.01 0.00 0.00 31.29 30.24 1wfr h VAL 93 CO 0.12 0.00 -1.69 0.25 -1.01 0.00 0.00 177.57 175.25 1wfr h LEU 94 N 0.00 0.64 -0.13 3.16 7.12 -1.28 -3.29 115.31 121.53 1wfr h LEU 94 Ca 0.18 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.26 1wfr h LEU 94 Cb 1.58 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 1wfr h LEU 94 CO -0.00 1.77 0.00 -0.62 -0.13 0.00 0.00 178.44 179.46 1wfr n GLU 95 N -3.64 0.03 -0.06 1.25 1.02 0.18 -4.72 120.64 114.69 1wfr n GLU 95 Ca -0.24 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1wfr n GLU 95 Cb 1.07 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1wfr n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wfr n GLY 96 N -0.18 0.84 0.20 0.62 0.00 -0.71 -4.92 105.19 101.04 1wfr n GLY 96 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1wfr n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfr h ARG 97 N 3.62 0.58 0.00 1.61 2.47 -1.82 -3.46 114.38 117.38 1wfr h ARG 97 Ca 0.00 -0.45 -0.18 0.00 -1.26 0.00 0.00 59.98 58.08 1wfr h ARG 97 Cb 0.00 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1wfr h ARG 97 CO 0.00 1.08 -0.08 1.28 0.56 0.00 0.00 179.97 182.81 1wfr n LEU 98 N -3.89 0.00 -4.05 3.04 4.77 -1.19 -4.93 117.00 110.75 1wfr n LEU 98 Ca -0.05 -0.92 -0.16 0.00 -0.03 0.00 0.00 56.01 54.84 1wfr n LEU 98 Cb 0.71 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 1wfr n LEU 98 CO 0.50 -0.41 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.12 1wfr s GLU 99 N -2.77 0.61 0.29 3.23 8.01 -1.26 -4.43 118.70 122.39 1wfr s GLU 99 Ca 0.12 -0.54 0.08 0.00 0.01 0.00 0.00 54.97 54.64 1wfr s GLU 99 Cb -0.01 -0.52 0.45 0.00 -4.31 0.00 0.00 34.13 29.74 1wfr s GLU 99 CO 0.08 0.13 1.68 -1.00 0.01 0.00 0.00 175.26 176.16 1wfr h PRO 100 N 5.20 0.16 0.06 0.39 0.13 -1.93 -0.71 132.00 135.29 1wfr h PRO 100 Ca -0.33 -0.08 -0.37 0.00 -0.87 0.00 0.00 66.00 64.34 1wfr h PRO 100 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1wfr h PRO 100 CO 0.45 0.60 -2.15 1.28 -0.23 0.00 0.00 178.00 177.95 1wfr n LEU 101 N -3.98 2.65 -0.09 1.56 7.99 -1.26 -3.98 117.00 119.89 1wfr n LEU 101 Ca -0.02 0.11 -0.11 0.00 -0.01 0.00 0.00 56.01 55.99 1wfr n LEU 101 Cb 0.51 -1.01 -0.04 0.00 -0.11 0.00 0.00 43.42 42.78 1wfr n LEU 101 CO 0.42 0.82 0.78 -1.28 -1.51 0.00 0.00 177.39 176.62 1wfr h SER 102 N -0.13 0.47 -0.60 -1.43 0.87 -1.95 -1.50 113.55 109.29 1wfr h SER 102 Ca -0.50 -0.29 0.09 0.00 -1.23 0.00 0.00 61.79 59.87 1wfr h SER 102 Cb 1.89 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 63.66 1wfr h SER 102 CO -0.04 0.64 0.23 0.00 -0.53 0.00 0.00 176.83 177.13 1wfr h ALA 103 N 0.84 0.77 -0.06 6.23 0.00 -1.33 0.40 119.26 126.11 1wfr h ALA 103 Ca 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1wfr h ALA 103 Cb 0.39 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wfr h ALA 103 CO 0.01 -0.19 -0.47 1.37 0.00 0.00 0.00 179.25 179.98 1wfr h LEU 104 N 0.41 0.16 -0.25 0.00 8.10 -1.66 0.08 115.31 122.14 1wfr h LEU 104 Ca 0.30 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 58.22 1wfr h LEU 104 Cb 0.36 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1wfr h LEU 104 CO -0.30 0.60 0.00 0.24 -4.11 0.00 0.00 178.44 174.88 1wfr h MET 105 N 0.12 0.00 0.00 0.17 2.86 -0.06 -3.15 114.93 114.87 1wfr h MET 105 Ca 0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1wfr h MET 105 Cb 0.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1wfr h MET 105 CO 0.07 0.00 -0.86 0.00 1.06 0.00 0.00 176.91 177.18 1wfr h ARG 106 N 0.00 0.00 0.00 1.72 3.08 0.10 -3.48 114.38 115.80 1wfr h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wfr h ARG 106 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1wfr h ARG 106 CO 0.00 0.30 0.00 0.41 -1.07 0.00 0.00 179.97 179.61 1wfr n GLY 107 N 1.27 1.12 0.07 0.04 0.00 -0.96 -5.02 105.19 101.70 1wfr n GLY 107 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1wfr n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wfr h LEU 108 N 0.00 -0.00-10.05 0.99 3.38 -1.21 -3.46 115.31 104.95 1wfr h LEU 108 Ca 0.00 -0.78 -0.54 0.00 0.09 0.00 0.00 57.88 56.65 1wfr h LEU 108 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wfr h LEU 108 CO 0.00 0.88 -0.21 -0.76 0.09 0.00 0.00 178.44 178.44 1wfr s LEU 109 N -8.31 4.15 -0.07 1.67 1.43 -1.11 -4.68 118.68 111.76 1wfr s LEU 109 Ca -0.15 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1wfr s LEU 109 Cb -0.02 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1wfr s LEU 109 CO 0.55 -0.10 0.10 -0.70 0.23 0.00 0.00 176.35 176.43 1wfr s GLU 110 N -3.25 -0.02 -0.61 1.70 2.12 -1.21 -4.52 118.70 112.90 1wfr s GLU 110 Ca 0.42 0.41 -0.22 0.00 0.36 0.00 0.00 54.97 55.94 1wfr s GLU 110 Cb -0.11 -0.53 0.06 0.00 0.26 0.00 0.00 34.13 33.81 1wfr s GLU 110 CO 0.28 -0.35 0.91 -1.17 -0.54 0.00 0.00 175.26 174.39 1wfr s LEU 111 N 2.22 4.41 0.02 2.70 2.96 -1.26 -1.79 118.68 127.94 1wfr s LEU 111 Ca 0.04 -0.83 -0.26 0.00 -0.22 0.00 0.00 54.13 52.86 1wfr s LEU 111 Cb -0.12 -2.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.87 1wfr s LEU 111 CO -0.05 -1.31 1.35 0.11 -1.32 0.00 0.00 176.35 175.13 1wfr h LYS 112 N 9.42 -0.37 0.00 1.98 1.79 -0.81 -3.45 116.57 125.14 1wfr h LYS 112 Ca -0.28 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.11 1wfr h LYS 112 Cb 1.07 0.08 0.05 0.00 -1.58 0.00 0.00 32.23 31.85 1wfr h LYS 112 CO 1.13 -0.08 0.10 1.17 -1.08 0.00 0.00 179.45 180.70 1wfr n LYS 113 N -5.14 -0.42 0.00 3.15 3.00 -1.21 -4.90 118.16 112.64 1wfr n LYS 113 Ca -0.10 -0.52 0.00 0.00 -0.00 0.00 0.00 58.31 57.70 1wfr n LYS 113 Cb 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 34.92 1wfr n LYS 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfr n GLY 114 N 2.63 0.81 3.44 3.14 0.00 -1.09 -4.62 105.19 109.50 1wfr n GLY 114 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1wfr n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wfr s THR 115 N 0.00 0.00 0.24 2.61 -1.32 -1.26 -5.04 115.64 110.87 1wfr s THR 115 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1wfr s THR 115 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1wfr s THR 115 CO 0.00 0.00 1.72 -0.29 -2.21 0.00 0.00 174.62 173.84 1wfr h ILE 116 N 2.11 1.11 0.00 5.08 2.10 -1.90 -2.79 117.51 123.21 1wfr h ILE 116 Ca -0.33 -1.64 0.00 0.00 1.08 0.00 0.00 64.86 63.98 1wfr h ILE 116 Cb 1.29 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.95 1wfr h ILE 116 CO 0.38 0.43 0.00 0.00 -1.08 0.00 0.00 178.15 177.88 1wfr n ALA 117 N -2.36 1.04 0.04 0.18 0.00 -1.26 -0.66 120.51 117.49 1wfr n ALA 117 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1wfr n ALA 117 Cb 0.52 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1wfr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfr h ALA 118 N 2.02 0.64 -0.00 0.00 0.00 -1.92 -3.31 119.26 116.68 1wfr h ALA 118 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wfr h ALA 118 Cb 0.01 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wfr h ALA 118 CO 0.00 0.80 -0.16 1.28 0.00 0.00 0.00 179.25 181.17 1wfr n LEU 119 N -2.88 0.62 -0.25 0.00 4.77 0.17 -4.30 117.00 115.13 1wfr n LEU 119 Ca -0.08 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1wfr n LEU 119 Cb 0.80 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1wfr n LEU 119 CO 0.42 0.12 0.49 0.00 -1.33 0.00 0.00 177.39 177.09 1wfr h ALA 120 N 3.61 -0.62 -0.33 -1.18 0.00 -1.63 -1.95 119.26 117.17 1wfr h ALA 120 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1wfr h ALA 120 Cb 0.40 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1wfr h ALA 120 CO 0.00 -0.92 -0.31 -1.00 0.00 0.00 0.00 179.25 177.02 1wfr h PRO 121 N -0.18 0.79 -1.99 0.00 0.13 -1.86 -3.25 132.00 125.64 1wfr h PRO 121 Ca 0.10 -0.41 -0.27 0.00 -0.87 0.00 0.00 66.00 64.55 1wfr h PRO 121 Cb 0.45 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.50 1wfr h PRO 121 CO -0.69 1.04 -0.15 0.66 -0.23 0.00 0.00 178.00 178.63 1wfr n TYR 122 N -4.19 0.45 0.01 1.56 4.01 -0.77 -4.24 117.16 113.98 1wfr n TYR 122 Ca -0.03 -1.61 -0.13 0.00 -0.16 0.00 0.00 57.90 55.97 1wfr n TYR 122 Cb 0.49 -1.49 -0.14 0.00 -0.31 0.00 0.00 39.34 37.90 1wfr n TYR 122 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wfr h ALA 123 N 2.89 0.57 0.11 -0.72 0.00 -1.48 -3.38 119.26 117.25 1wfr h ALA 123 Ca 0.24 -1.35 -0.32 0.00 0.00 0.00 0.00 54.91 53.48 1wfr h ALA 123 Cb 1.28 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1wfr h ALA 123 CO 0.40 1.42 -1.67 1.96 0.00 0.00 0.00 179.25 181.36 1wfr h GLN 124 N 0.03 0.24 -1.72 0.00 7.50 -1.89 -3.35 115.11 115.92 1wfr h GLN 124 Ca -0.29 -0.41 0.51 0.00 0.50 0.00 0.00 58.65 58.95 1wfr h GLN 124 Cb 2.00 0.15 -0.08 0.00 0.05 0.00 0.00 27.48 29.60 1wfr h GLN 124 CO 0.10 1.20 1.22 0.00 -1.50 0.00 0.00 178.83 179.84 1wfr h ALA 125 N -0.04 3.52 -0.57 3.87 0.00 -1.80 0.14 119.26 124.39 1wfr h ALA 125 Ca -0.36 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.63 1wfr h ALA 125 Cb 1.85 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 1wfr h ALA 125 CO 0.05 -2.07 -0.25 0.00 0.00 0.00 0.00 179.25 176.98 1wfr h ALA 126 N 1.20 0.15 -1.24 0.00 0.00 -1.74 0.28 119.26 117.90 1wfr h ALA 126 Ca 0.86 0.19 0.38 0.00 0.00 0.00 0.00 54.91 56.33 1wfr h ALA 126 Cb 3.30 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 21.60 1wfr h ALA 126 CO -0.10 -0.56 0.82 1.96 0.00 0.00 0.00 179.25 181.36 1wfr h GLN 127 N -0.11 0.17 0.53 0.00 4.20 -0.99 0.23 115.11 119.15 1wfr h GLN 127 Ca 0.26 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1wfr h GLN 127 Cb 0.51 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.26 1wfr h GLN 127 CO -0.64 0.11 -0.26 0.93 -0.67 0.00 0.00 178.83 178.31 1wfr h GLU 128 N 0.18 -0.69 -0.40 1.46 4.39 -0.59 -0.84 114.58 118.08 1wfr h GLU 128 Ca 0.73 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.56 1wfr h GLU 128 Cb 2.24 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 30.96 1wfr h GLU 128 CO -0.32 -0.38 -0.18 -0.07 -1.16 0.00 0.00 179.01 176.89 1wfr h LEU 129 N -1.02 -0.61 -1.08 1.33 3.38 -0.84 -0.44 115.31 116.03 1wfr h LEU 129 Ca -0.07 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1wfr h LEU 129 Cb 0.62 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1wfr h LEU 129 CO 0.12 -0.21 0.61 1.62 0.09 0.00 0.00 178.44 180.67 1wfr h VAL 130 N -0.10 1.24 0.29 1.22 3.04 -1.32 0.78 116.25 121.40 1wfr h VAL 130 Ca 0.20 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1wfr h VAL 130 Cb 0.40 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.53 1wfr h VAL 130 CO -0.47 0.23 -0.39 0.50 -1.01 0.00 0.00 177.57 176.43 1wfr h LYS 131 N 1.26 -0.69 -0.69 4.17 3.64 0.42 -2.84 116.57 121.85 1wfr h LYS 131 Ca 0.34 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1wfr h LYS 131 Cb -0.14 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1wfr h LYS 131 CO -0.07 -0.46 0.28 0.28 -2.27 0.00 0.00 179.45 177.21 1wfr h VAL 132 N -0.71 1.24 -0.94 2.00 2.07 -1.31 -2.95 116.25 115.65 1wfr h VAL 132 Ca -0.03 -0.76 0.28 0.00 0.82 0.00 0.00 66.70 67.01 1wfr h VAL 132 Cb 0.64 0.46 -0.17 0.00 -1.52 0.00 0.00 31.29 30.69 1wfr h VAL 132 CO -0.10 0.30 0.10 0.00 0.02 0.00 0.00 177.57 177.89 1wfr n ALA 133 N -2.40 0.56 0.02 1.67 0.00 0.26 0.42 120.51 121.04 1wfr n ALA 133 Ca 0.05 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.37 1wfr n ALA 133 Cb 0.17 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 1wfr n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfr h ARG 134 N 0.00 -0.01 -1.21 0.00 3.08 -1.32 -2.91 114.38 112.00 1wfr h ARG 134 Ca 0.61 0.00 0.44 0.00 0.07 0.00 0.00 59.98 61.10 1wfr h ARG 134 Cb 1.34 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.25 1wfr h ARG 134 CO -0.86 0.25 0.76 0.39 -1.07 0.00 0.00 179.97 179.44 1wfr n GLU 135 N -4.97 -0.04 0.15 0.04 1.02 0.17 -0.46 120.64 116.54 1wfr n GLU 135 Ca -0.08 1.20 -0.07 0.00 -0.02 0.00 0.00 57.16 58.19 1wfr n GLU 135 Cb 0.15 -2.31 -0.03 0.00 -0.02 0.00 0.00 31.44 29.22 1wfr n GLU 135 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wfr h VAL 136 N 0.00 0.00 -0.33 2.62 2.07 -1.31 -3.40 116.25 115.90 1wfr h VAL 136 Ca 0.82 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1wfr h VAL 136 Cb 2.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1wfr h VAL 136 CO -0.50 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.25 1wfr s ALA 137 N -3.72 0.78 -0.21 1.67 0.00 0.39 -4.64 121.76 116.02 1wfr s ALA 137 Ca -0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1wfr s ALA 137 Cb 0.01 -4.61 -0.19 0.00 0.00 0.00 0.00 23.12 18.33 1wfr s ALA 137 CO 0.20 -6.05 0.03 0.43 0.00 0.00 0.00 175.76 170.37 1wfr n SER 138 N 18.25 1.97 0.00 0.00 7.64 -1.26 -4.91 113.62 135.31 1wfr n SER 138 Ca 0.45 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1wfr n SER 138 Cb 0.45 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1wfr n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfr n GLY 139 N 1.65 1.54 3.59 0.23 0.00 -1.26 -4.51 105.19 106.43 1wfr n GLY 139 Ca -0.40 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1wfr n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfr s PRO 140 N -2.00 3.30 -0.28 1.61 0.04 -1.26 -4.93 135.00 131.48 1wfr s PRO 140 Ca 0.00 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1wfr s PRO 140 Cb 0.00 -4.18 0.09 0.00 0.04 0.00 0.00 34.50 30.45 1wfr s PRO 140 CO 0.00 -1.90 0.07 -1.12 0.04 0.00 0.00 177.00 174.09 1wfr s SER 141 N 5.85 3.81 0.14 6.66 0.01 -1.26 -5.01 113.70 123.90 1wfr s SER 141 Ca 0.74 -1.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 1wfr s SER 141 Cb -0.19 -0.87 0.03 0.00 0.21 0.00 0.00 66.02 65.20 1wfr s SER 141 CO 0.32 -0.37 1.74 0.77 0.41 0.00 0.00 173.24 176.11 1wfr h SER 142 N 8.09 0.07 0.00 2.44 4.64 -2.06 -3.54 113.55 123.19 1wfr h SER 142 Ca -0.14 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wfr h SER 142 Cb 1.04 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1wfr h SER 142 CO 0.44 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.08