#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swc h ILE 17 N 0.00 1.31 -2.19 -0.61 2.04 -1.96 -3.45 117.51 112.64 1swc h ILE 17 Ca 0.00 -2.26 -0.59 0.00 1.00 0.00 0.00 64.86 63.01 1swc h ILE 17 Cb 0.00 2.35 0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1swc h ILE 17 CO 0.00 0.70 0.96 0.41 0.00 0.00 0.00 178.15 180.22 1swc n THR 18 N -3.84 0.30 -2.28 -0.27 -1.04 -1.26 -4.79 114.28 101.09 1swc n THR 18 Ca -0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1swc n THR 18 Cb 0.86 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1swc n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swc n GLY 19 N 3.93 -0.31 3.67 3.41 0.00 -0.75 -5.02 105.19 110.12 1swc n GLY 19 Ca 0.20 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1swc n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 20 N -2.61 4.18 0.02 2.61 2.01 -1.26 -1.91 115.64 118.67 1swc s THR 20 Ca 0.00 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1swc s THR 20 Cb 0.00 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1swc s THR 20 CO 0.00 0.54 -0.12 0.26 -0.69 0.00 0.00 174.62 174.61 1swc s TRP 21 N -0.93 1.06 0.04 4.92 0.52 0.41 -4.54 118.94 120.42 1swc s TRP 21 Ca 0.15 -0.29 0.06 0.00 0.02 0.00 0.00 56.10 56.04 1swc s TRP 21 Cb -0.11 -0.65 -0.02 0.00 -1.15 0.00 0.00 33.47 31.53 1swc s TRP 21 CO 0.05 0.00 -0.16 0.71 0.02 0.00 0.00 176.95 177.57 1swc s TYR 22 N -0.63 1.39 0.11 -1.98 2.02 -0.67 -0.42 117.35 117.16 1swc s TYR 22 Ca 0.02 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1swc s TYR 22 Cb -0.06 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1swc s TYR 22 CO 0.00 0.05 0.11 0.27 -1.57 0.00 0.00 175.55 174.42 1swc n ASN 23 N 1.90 0.91 0.27 2.29 6.94 0.04 -1.67 115.26 125.94 1swc n ASN 23 Ca -0.18 -1.33 -0.13 0.00 -0.02 0.00 0.00 54.58 52.92 1swc n ASN 23 Cb 0.54 -0.04 -0.07 0.00 -2.36 0.00 0.00 39.78 37.86 1swc n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1swc h GLN 24 N 0.00 -0.75 -0.21 -3.83 -0.00 -1.89 -3.38 115.11 105.04 1swc h GLN 24 Ca -0.06 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1swc h GLN 24 Cb 0.24 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 1swc h GLN 24 CO 0.09 -0.50 0.00 -0.11 -0.00 0.00 0.00 178.83 178.31 1swc n LEU 25 N -4.41 0.21 0.00 0.06 -0.00 -1.26 -4.84 117.00 106.76 1swc n LEU 25 Ca -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1swc n LEU 25 Cb 0.33 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1swc n LEU 25 CO 0.22 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.27 1swc n GLY 26 N 0.22 0.93 3.53 -3.96 0.00 -1.26 -5.03 105.19 99.62 1swc n GLY 26 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1swc n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swc s SER 27 N -2.03 4.16 0.06 1.61 0.01 -1.26 -0.58 113.70 115.68 1swc s SER 27 Ca 0.00 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 1swc s SER 27 Cb 0.00 -0.73 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 1swc s SER 27 CO 0.00 0.20 0.11 -0.89 0.41 0.00 0.00 173.24 173.07 1swc s THR 28 N -1.12 0.16 0.02 1.44 2.01 -0.77 -0.78 115.64 116.59 1swc s THR 28 Ca 0.19 -1.30 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 1swc s THR 28 Cb -0.11 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1swc s THR 28 CO 0.11 -0.72 0.20 0.72 -0.69 0.00 0.00 174.62 174.24 1swc s PHE 29 N -3.48 0.01 -0.09 4.92 -0.12 0.44 -0.42 117.98 119.23 1swc s PHE 29 Ca 0.02 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 1swc s PHE 29 Cb 0.04 -0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 1swc s PHE 29 CO -0.09 -0.39 -0.10 0.42 -0.05 0.00 0.00 175.22 175.01 1swc s ILE 30 N -2.05 3.36 0.02 -4.49 -1.09 -0.59 -0.44 121.20 115.93 1swc s ILE 30 Ca -0.09 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 57.62 1swc s ILE 30 Cb -0.03 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1swc s ILE 30 CO -0.01 0.56 0.27 0.68 -1.23 0.00 0.00 174.94 175.21 1swc s VAL 31 N -0.32 0.08 -0.20 2.92 -7.23 -0.80 -1.57 120.40 113.28 1swc s VAL 31 Ca 0.04 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1swc s VAL 31 Cb -0.13 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.03 1swc s VAL 31 CO 0.02 -0.37 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.41 1swc s THR 32 N -2.10 2.42 -0.55 5.32 2.01 -0.20 -1.81 115.64 120.73 1swc s THR 32 Ca -0.08 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 60.78 1swc s THR 32 Cb -0.03 -2.10 0.06 0.00 0.01 0.00 0.00 72.50 70.45 1swc s THR 32 CO -0.01 0.42 0.76 0.00 -0.69 0.00 0.00 174.62 175.11 1swc s ALA 33 N 1.31 3.30 0.73 7.40 0.00 -1.26 -1.68 121.76 131.56 1swc s ALA 33 Ca 0.03 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1swc s ALA 33 Cb -0.14 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1swc s ALA 33 CO -0.09 -2.27 1.08 0.20 0.00 0.00 0.00 175.76 174.67 1swc s GLY 34 N 3.05 1.70 0.42 0.00 0.00 0.67 -4.86 107.32 108.29 1swc s GLY 34 Ca 0.19 0.19 0.29 0.00 0.00 0.00 0.00 44.72 45.39 1swc s GLY 34 CO 0.12 0.52 1.86 0.00 0.00 0.00 0.00 173.10 175.60 1swc h ALA 35 N -0.84 1.00 -0.20 3.20 0.00 -1.97 -2.53 119.26 117.93 1swc h ALA 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1swc h ALA 35 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1swc h ALA 35 CO 0.54 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1swc n ASP 36 N -2.70 1.23 0.00 0.00 5.75 -1.26 -4.87 116.55 114.69 1swc n ASP 36 Ca 0.01 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1swc n ASP 36 Cb 0.28 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1swc n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swc n GLY 37 N 0.93 0.71 3.84 6.12 0.00 -0.95 -5.02 105.19 110.82 1swc n GLY 37 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1swc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc s ALA 38 N -2.12 3.30 -0.18 4.61 0.00 -1.26 -0.99 121.76 125.14 1swc s ALA 38 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1swc s ALA 38 Cb 0.00 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1swc s ALA 38 CO 0.00 0.30 -0.19 -0.51 0.00 0.00 0.00 175.76 175.36 1swc s LEU 39 N -2.79 2.17 -0.02 0.00 1.02 -0.53 -0.24 118.68 118.30 1swc s LEU 39 Ca 0.53 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1swc s LEU 39 Cb -0.12 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1swc s LEU 39 CO 0.18 0.01 -0.06 0.42 0.02 0.00 0.00 176.35 176.91 1swc s THR 40 N 1.26 0.55 -0.37 5.49 -4.23 -0.67 -0.56 115.64 117.10 1swc s THR 40 Ca 0.04 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1swc s THR 40 Cb -0.13 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1swc s THR 40 CO -0.12 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1swc n GLY 41 N 3.22 -0.78 2.98 3.99 0.00 -0.95 -1.03 105.19 112.61 1swc n GLY 41 Ca -0.17 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1swc n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swc s THR 42 N -3.00 0.60 -0.23 2.61 -4.23 -0.61 -1.12 115.64 109.67 1swc s THR 42 Ca 0.00 -0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1swc s THR 42 Cb 0.00 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1swc s THR 42 CO 0.00 0.18 0.07 -0.47 -0.54 0.00 0.00 174.62 173.86 1swc s TYR 43 N 0.03 3.12 -0.43 3.99 6.14 0.47 -1.54 117.35 129.14 1swc s TYR 43 Ca -0.00 -0.27 -0.11 0.00 0.64 0.00 0.00 57.07 57.33 1swc s TYR 43 Cb -0.05 -2.18 0.07 0.00 0.42 0.00 0.00 41.96 40.22 1swc s TYR 43 CO -0.00 -0.20 0.29 -2.00 0.64 0.00 0.00 175.55 174.28 1swc s GLU 44 N 1.22 2.73 0.26 4.97 2.12 0.44 -1.07 118.70 129.36 1swc s GLU 44 Ca 0.05 -1.40 -0.05 0.00 0.36 0.00 0.00 54.97 53.93 1swc s GLU 44 Cb -0.14 -3.88 0.30 0.00 0.26 0.00 0.00 34.13 30.67 1swc s GLU 44 CO 0.03 -0.95 1.93 1.03 -0.54 0.00 0.00 175.26 176.76 1swc h SER 45 N 8.51 1.10 -3.53 -1.70 0.87 -1.54 -2.06 113.55 115.20 1swc h SER 45 Ca -0.25 -0.04 -0.60 0.00 -1.23 0.00 0.00 61.79 59.67 1swc h SER 45 Cb 1.09 -0.28 -0.39 0.00 -0.44 0.00 0.00 62.40 62.39 1swc h SER 45 CO 0.79 0.81 -0.77 0.00 -0.53 0.00 0.00 176.83 177.13 1swc s ALA 46 N -6.03 1.94 -0.12 6.23 0.00 -1.26 -4.04 121.76 118.48 1swc s ALA 46 Ca -0.13 -1.53 -0.39 0.00 0.00 0.00 0.00 51.96 49.91 1swc s ALA 46 Cb 0.18 -1.52 -0.17 0.00 0.00 0.00 0.00 23.12 21.60 1swc s ALA 46 CO 0.81 -1.35 1.48 0.28 0.00 0.00 0.00 175.76 176.98 1swc n VAL 47 N 4.67 0.11 0.00 0.00 0.31 0.26 -0.78 118.33 122.90 1swc n VAL 47 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1swc n VAL 47 Cb 0.44 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1swc n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1swc n GLY 48 N 3.14 2.09 3.52 2.92 0.00 -1.26 -5.01 105.19 110.59 1swc n GLY 48 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1swc n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1swc s ASN 49 N -2.44 6.11 0.43 1.61 3.04 0.04 -4.97 114.94 118.76 1swc s ASN 49 Ca 0.00 -0.44 0.22 0.00 0.04 0.00 0.00 52.86 52.68 1swc s ASN 49 Cb 0.00 -2.16 0.95 0.00 -1.54 0.00 0.00 41.25 38.49 1swc s ASN 49 CO 0.00 -0.31 1.85 0.00 -3.04 0.00 0.00 177.10 175.60 1swc h ALA 50 N 8.51 1.09 -0.01 1.71 0.00 -1.95 -2.24 119.26 126.37 1swc h ALA 50 Ca -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1swc h ALA 50 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1swc h ALA 50 CO 0.67 0.32 0.00 0.39 0.00 0.00 0.00 179.25 180.63 1swc n GLU 51 N -3.53 1.05 -0.39 0.00 1.02 -1.26 -3.48 120.64 114.05 1swc n GLU 51 Ca -0.01 -0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.14 1swc n GLU 51 Cb 0.41 -1.28 0.24 0.00 -0.02 0.00 0.00 31.44 30.79 1swc n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1swc n SER 52 N -0.70 3.72 -4.77 1.62 2.88 -0.84 -4.79 113.62 110.75 1swc n SER 52 Ca 0.13 -2.67 -0.36 0.00 -1.33 0.00 0.00 58.87 54.64 1swc n SER 52 Cb 0.08 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 1swc n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swc s ARG 53 N -2.20 4.07 0.05 -1.46 0.52 -1.23 -1.58 118.95 117.12 1swc s ARG 53 Ca 0.37 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.65 1swc s ARG 53 Cb 0.28 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1swc s ARG 53 CO 0.12 0.39 -0.10 0.71 0.02 0.00 0.00 175.30 176.45 1swc s TYR 54 N 0.03 0.82 0.18 -0.53 2.02 -0.23 -4.81 117.35 114.82 1swc s TYR 54 Ca 0.15 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 1swc s TYR 54 Cb -0.13 -0.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.87 1swc s TYR 54 CO 0.04 -0.05 1.32 0.08 -1.57 0.00 0.00 175.55 175.37 1swc s VAL 55 N -1.37 3.26 -0.01 0.71 1.01 -1.26 -0.39 120.40 122.34 1swc s VAL 55 Ca -0.08 1.00 0.05 0.00 0.00 0.00 0.00 61.98 62.96 1swc s VAL 55 Cb -0.10 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1swc s VAL 55 CO 0.01 0.13 -0.15 -1.48 0.00 0.00 0.00 175.10 173.61 1swc s LEU 56 N 0.17 2.71 -0.08 3.92 0.05 -0.27 -4.45 118.68 120.72 1swc s LEU 56 Ca 0.58 -0.28 -0.07 0.00 0.05 0.00 0.00 54.13 54.41 1swc s LEU 56 Cb -0.36 -1.56 0.02 0.00 -2.05 0.00 0.00 46.19 42.24 1swc s LEU 56 CO 0.36 0.31 0.22 0.28 -0.55 0.00 0.00 176.35 176.97 1swc s THR 57 N -0.82 -0.00 0.00 5.48 -1.32 -0.90 -2.24 115.64 115.84 1swc s THR 57 Ca 0.13 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1swc s THR 57 Cb -0.11 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1swc s THR 57 CO 0.03 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1swc n GLY 58 N 3.11 2.14 3.01 6.08 0.00 0.27 -1.18 105.19 118.62 1swc n GLY 58 Ca -0.14 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1swc n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swc s ARG 59 N -1.36 0.39 0.06 1.61 1.81 -0.04 -1.46 118.95 119.97 1swc s ARG 59 Ca 0.00 -0.75 -0.03 0.00 -1.72 0.00 0.00 55.73 53.23 1swc s ARG 59 Cb 0.00 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1swc s ARG 59 CO 0.00 -0.05 0.03 1.52 -0.68 0.00 0.00 175.30 176.11 1swc s TYR 60 N -1.97 0.42 -0.40 -0.53 1.13 -0.16 -1.69 117.35 114.15 1swc s TYR 60 Ca -0.11 -0.94 -0.29 0.00 -1.41 0.00 0.00 57.07 54.33 1swc s TYR 60 Cb -0.06 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 1swc s TYR 60 CO -0.03 -0.42 1.39 0.34 -2.51 0.00 0.00 175.55 174.33 1swc s ASP 61 N -2.88 6.38 0.00 -0.18 2.15 -0.24 -4.63 116.67 117.28 1swc s ASP 61 Ca 0.06 0.86 0.31 0.00 0.43 0.00 0.00 52.55 54.21 1swc s ASP 61 Cb 0.07 -2.54 1.69 0.00 -0.30 0.00 0.00 42.92 41.84 1swc s ASP 61 CO -0.10 -1.39 2.11 -1.54 -0.17 0.00 0.00 175.17 174.08 1swc n SER 62 N 8.66 0.26 -3.20 -0.34 3.41 -1.26 -4.14 113.62 117.01 1swc n SER 62 Ca 0.16 -0.96 -0.23 0.00 -0.26 0.00 0.00 58.87 57.58 1swc n SER 62 Cb 0.48 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 1swc n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swc n ALA 63 N -0.85 2.23 -1.20 7.33 0.00 -1.26 -5.05 120.51 121.71 1swc n ALA 63 Ca 0.22 -3.17 -0.30 0.00 0.00 0.00 0.00 53.44 50.18 1swc n ALA 63 Cb 0.17 -0.84 0.13 0.00 0.00 0.00 0.00 19.45 18.92 1swc n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swc s PRO 64 N -0.75 1.36 0.54 0.00 0.04 -1.26 -4.99 135.00 129.95 1swc s PRO 64 Ca 0.34 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 1swc s PRO 64 Cb 0.14 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1swc s PRO 64 CO -0.14 -2.18 1.22 0.00 0.04 0.00 0.00 177.00 175.93 1swc s ALA 65 N -2.92 2.73 -0.47 8.56 0.00 -1.26 -4.93 121.76 123.46 1swc s ALA 65 Ca 0.63 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.65 1swc s ALA 65 Cb -0.18 -3.45 0.63 0.00 0.00 0.00 0.00 23.12 20.12 1swc s ALA 65 CO 0.57 -1.02 1.92 0.25 0.00 0.00 0.00 175.76 177.48 1swc n THR 66 N -1.15 3.24 -0.58 0.00 -2.24 -1.26 -4.45 114.28 107.83 1swc n THR 66 Ca 0.11 -2.03 0.08 0.00 -2.27 0.00 0.00 64.05 59.93 1swc n THR 66 Cb 0.48 -0.58 0.25 0.00 -2.10 0.00 0.00 70.33 68.38 1swc n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swc n ASP 67 N -1.09 3.78 0.00 3.42 5.75 -1.26 -4.90 116.55 122.25 1swc n ASP 67 Ca 0.59 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1swc n ASP 67 Cb 1.52 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1swc n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swc n GLY 68 N 0.34 0.76 3.77 6.12 0.00 -1.26 -5.05 105.19 109.87 1swc n GLY 68 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1swc n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swc s SER 69 N -2.98 4.94 0.90 1.61 0.01 -1.26 -5.02 113.70 111.90 1swc s SER 69 Ca 0.00 1.99 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 1swc s SER 69 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1swc s SER 69 CO 0.00 -1.74 0.41 0.61 0.41 0.00 0.00 173.24 172.93 1swc n GLY 70 N -0.57 -0.85 3.31 3.44 0.00 -1.26 -4.81 105.19 104.45 1swc n GLY 70 Ca 0.10 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1swc n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 71 N -1.72 3.70 0.35 2.61 2.01 -0.23 -4.71 115.64 117.65 1swc s THR 71 Ca 0.24 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 1swc s THR 71 Cb -0.01 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.51 1swc s THR 71 CO 0.17 0.12 1.26 0.00 -0.69 0.00 0.00 174.62 175.47 1swc s ALA 72 N 1.46 3.40 0.29 7.40 0.00 -1.26 -0.76 121.76 132.28 1swc s ALA 72 Ca 0.02 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1swc s ALA 72 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1swc s ALA 72 CO 0.01 -0.59 0.67 -0.48 0.00 0.00 0.00 175.76 175.36 1swc s LEU 73 N -1.95 -0.07 -0.07 0.00 0.05 -0.35 -1.08 118.68 115.21 1swc s LEU 73 Ca 0.51 -0.77 -0.30 0.00 0.05 0.00 0.00 54.13 53.62 1swc s LEU 73 Cb -0.37 2.51 0.10 0.00 -2.05 0.00 0.00 46.19 46.38 1swc s LEU 73 CO 0.49 -1.35 0.85 -0.83 -0.55 0.00 0.00 176.35 174.96 1swc s GLY 74 N -2.97 -0.43 0.18 -3.48 0.00 -0.68 -1.89 107.32 98.05 1swc s GLY 74 Ca 0.15 1.49 -0.12 0.00 0.00 0.00 0.00 44.72 46.24 1swc s GLY 74 CO 0.08 0.80 0.38 0.66 0.00 0.00 0.00 173.10 175.02 1swc s TRP 75 N -1.76 0.22 0.02 1.90 -2.14 -0.71 -0.86 118.94 115.62 1swc s TRP 75 Ca -0.03 -0.58 0.04 0.00 2.66 0.00 0.00 56.10 58.20 1swc s TRP 75 Cb -0.00 0.11 -0.02 0.00 -3.10 0.00 0.00 33.47 30.46 1swc s TRP 75 CO 0.01 -0.81 -0.13 0.99 -2.66 0.00 0.00 176.95 174.35 1swc s THR 76 N -3.94 1.04 -0.08 0.66 2.01 -0.32 -1.20 115.64 113.81 1swc s THR 76 Ca 0.15 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 1swc s THR 76 Cb 0.02 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1swc s THR 76 CO -0.00 0.11 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.30 1swc s VAL 77 N -0.62 0.70 -0.22 3.82 1.01 -0.75 -2.12 120.40 122.21 1swc s VAL 77 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1swc s VAL 77 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1swc s VAL 77 CO 0.00 0.30 0.30 0.00 0.00 0.00 0.00 175.10 175.70 1swc s ALA 78 N 1.54 3.58 -1.59 5.51 0.00 -1.26 -0.20 121.76 129.34 1swc s ALA 78 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1swc s ALA 78 Cb -0.13 -2.51 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1swc s ALA 78 CO -0.04 -0.27 2.84 0.91 0.00 0.00 0.00 175.76 179.20 1swc n TRP 79 N 4.43 2.54 -4.17 0.00 7.02 -0.67 -4.77 117.44 121.83 1swc n TRP 79 Ca -0.11 -3.06 -0.23 0.00 -1.02 0.00 0.00 57.50 53.08 1swc n TRP 79 Cb 0.51 -2.45 -0.17 0.00 -2.42 0.00 0.00 31.31 26.79 1swc n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swc s LYS 80 N 1.97 1.15 0.00 -0.99 2.20 -1.26 -0.80 119.74 122.01 1swc s LYS 80 Ca 0.66 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1swc s LYS 80 Cb 0.18 -1.14 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 1swc s LYS 80 CO -0.07 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.08 1swc n ASN 81 N 4.30 0.08 0.28 1.43 0.23 -0.04 -4.82 115.26 116.71 1swc n ASN 81 Ca -0.20 -0.58 0.12 0.00 -0.53 0.00 0.00 54.58 53.39 1swc n ASN 81 Cb 0.51 0.00 0.80 0.00 -2.08 0.00 0.00 39.78 39.01 1swc n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swc h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.94 -3.24 115.58 113.28 1swc h ASN 82 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1swc h ASN 82 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1swc h ASN 82 CO 0.00 0.00 -2.33 -1.22 -1.65 0.00 0.00 177.43 172.23 1swc n TYR 83 N -4.14 0.00 -4.10 1.19 4.01 -1.26 -5.05 117.16 107.81 1swc n TYR 83 Ca -0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1swc n TYR 83 Cb 0.10 -0.94 -0.10 0.00 -0.31 0.00 0.00 39.34 38.10 1swc n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swc s ARG 84 N -2.47 0.83 -0.13 -0.72 1.70 -1.22 -5.14 118.95 111.80 1swc s ARG 84 Ca -0.18 -1.32 -0.04 0.00 -0.47 0.00 0.00 55.73 53.72 1swc s ARG 84 Cb 0.07 0.24 0.06 0.00 -0.57 0.00 0.00 34.95 34.75 1swc s ARG 84 CO 0.70 -0.22 0.19 1.21 -1.08 0.00 0.00 175.30 176.10 1swc s ASN 85 N -2.99 0.90 0.00 -2.89 3.84 -1.26 -0.86 114.94 111.68 1swc s ASN 85 Ca 0.17 0.21 0.24 0.00 0.21 0.00 0.00 52.86 53.68 1swc s ASN 85 Cb 0.07 0.36 0.37 0.00 -0.55 0.00 0.00 41.25 41.50 1swc s ASN 85 CO -0.03 -0.27 1.37 0.00 -2.79 0.00 0.00 177.10 175.38 1swc n ALA 86 N 5.33 2.43 -3.74 1.71 0.00 0.02 -4.97 120.51 121.29 1swc n ALA 86 Ca -0.05 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.24 1swc n ALA 86 Cb 0.50 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 19.12 1swc n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swc n HIS 87 N 1.47 -1.87 -3.88 0.00 8.25 -1.26 -4.88 115.22 113.05 1swc n HIS 87 Ca 0.18 0.82 -0.08 0.00 -0.26 0.00 0.00 57.72 58.39 1swc n HIS 87 Cb 0.61 -4.28 -0.03 0.00 1.12 0.00 0.00 29.99 27.41 1swc n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swc s SER 88 N -4.36 -0.23 -0.04 0.41 1.04 -1.26 -1.85 113.70 107.41 1swc s SER 88 Ca 0.01 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 1swc s SER 88 Cb -0.00 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1swc s SER 88 CO 0.82 -1.27 0.24 0.00 0.98 0.00 0.00 173.24 174.01 1swc s ALA 89 N -3.94 -0.59 0.03 5.32 0.00 -0.10 -1.68 121.76 120.80 1swc s ALA 89 Ca 0.14 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1swc s ALA 89 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1swc s ALA 89 CO 0.06 -0.19 -0.23 0.99 0.00 0.00 0.00 175.76 176.39 1swc s THR 90 N -0.77 2.36 -0.07 0.00 2.01 0.72 -0.99 115.64 118.90 1swc s THR 90 Ca -0.09 -1.25 0.05 0.00 0.31 0.00 0.00 61.69 60.72 1swc s THR 90 Cb -0.05 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1swc s THR 90 CO 0.02 0.41 -0.25 0.42 -0.69 0.00 0.00 174.62 174.53 1swc s THR 91 N -0.80 2.04 -0.11 -0.82 -4.23 -0.27 -1.81 115.64 109.63 1swc s THR 91 Ca 0.12 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1swc s THR 91 Cb -0.10 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1swc s THR 91 CO 0.02 0.56 -0.02 0.26 -0.54 0.00 0.00 174.62 174.91 1swc s TRP 92 N -0.01 3.08 -0.10 3.99 0.51 -0.34 -0.82 118.94 125.24 1swc s TRP 92 Ca -0.08 -0.02 0.01 0.00 -2.12 0.00 0.00 56.10 53.89 1swc s TRP 92 Cb -0.15 -1.86 0.02 0.00 -0.81 0.00 0.00 33.47 30.67 1swc s TRP 92 CO 0.05 0.24 -0.12 0.45 -0.51 0.00 0.00 176.95 177.06 1swc s SER 93 N -0.34 2.22 0.00 2.95 0.15 -0.21 -1.73 113.70 116.74 1swc s SER 93 Ca 0.06 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1swc s SER 93 Cb -0.12 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1swc s SER 93 CO 0.02 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1swc n GLY 94 N 4.35 1.44 3.09 9.45 0.00 -0.79 -1.34 105.19 121.38 1swc n GLY 94 Ca -0.18 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1swc n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swc s GLN 95 N 1.87 0.39 -0.06 1.61 -2.07 -0.74 -1.21 119.66 119.43 1swc s GLN 95 Ca 0.00 -0.18 -0.28 0.00 -1.82 0.00 0.00 55.36 53.07 1swc s GLN 95 Cb 0.00 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1swc s GLN 95 CO 0.00 -0.08 0.93 -0.47 -1.32 0.00 0.00 175.29 174.35 1swc s TYR 96 N -0.89 3.57 -0.30 9.60 5.04 0.06 -1.28 117.35 133.15 1swc s TYR 96 Ca -0.10 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1swc s TYR 96 Cb -0.05 -3.08 0.08 0.00 0.35 0.00 0.00 41.96 39.25 1swc s TYR 96 CO 0.01 -0.09 -0.02 0.08 -1.34 0.00 0.00 175.55 174.19 1swc s VAL 97 N 1.43 2.33 0.69 3.14 1.01 0.44 -1.07 120.40 128.37 1swc s VAL 97 Ca 0.47 -1.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 1swc s VAL 97 Cb -0.19 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1swc s VAL 97 CO 0.22 -0.29 1.13 -0.83 0.00 0.00 0.00 175.10 175.33 1swc s GLY 98 N 1.07 2.16 0.00 4.51 0.00 -1.26 -1.32 107.32 112.48 1swc s GLY 98 Ca -0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1swc s GLY 98 CO -0.06 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.62 1swc n GLY 99 N -0.33 -0.36 0.31 0.20 0.00 -1.26 -4.87 105.19 98.87 1swc n GLY 99 Ca 0.11 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.13 1swc n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc h ALA 100 N 0.00 1.32 -3.09 4.61 0.00 -2.06 -3.20 119.26 116.83 1swc h ALA 100 Ca 0.00 0.10 -0.70 0.00 0.00 0.00 0.00 54.91 54.31 1swc h ALA 100 Cb 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.47 1swc h ALA 100 CO 0.00 -0.15 -0.46 -2.00 0.00 0.00 0.00 179.25 176.64 1swc s GLU 101 N -5.95 2.28 0.47 0.00 2.12 -1.26 -5.10 118.70 111.26 1swc s GLU 101 Ca -0.12 -2.08 -0.22 0.00 0.36 0.00 0.00 54.97 52.91 1swc s GLU 101 Cb 0.23 -3.69 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 1swc s GLU 101 CO 0.78 -1.13 1.11 0.00 -0.54 0.00 0.00 175.26 175.48 1swc s ALA 102 N 0.71 2.91 0.06 6.30 0.00 -1.21 -4.93 121.76 125.60 1swc s ALA 102 Ca 0.11 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1swc s ALA 102 Cb -0.22 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1swc s ALA 102 CO -0.04 -0.53 -0.09 1.03 0.00 0.00 0.00 175.76 176.13 1swc s ARG 103 N -2.91 0.66 -0.17 0.00 0.52 -0.43 -2.17 118.95 114.45 1swc s ARG 103 Ca 0.65 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1swc s ARG 103 Cb -0.24 -0.38 0.03 0.00 0.52 0.00 0.00 34.95 34.88 1swc s ARG 103 CO 0.29 0.06 -0.16 0.42 0.02 0.00 0.00 175.30 175.92 1swc s ILE 104 N -1.90 1.81 -0.25 1.52 1.01 -0.08 -0.42 121.20 122.89 1swc s ILE 104 Ca -0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1swc s ILE 104 Cb -0.06 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1swc s ILE 104 CO -0.00 0.43 0.17 0.20 0.00 0.00 0.00 174.94 175.74 1swc s ASN 105 N 1.38 6.09 0.26 3.58 0.01 -0.41 -1.31 114.94 124.54 1swc s ASN 105 Ca 0.04 0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.33 1swc s ASN 105 Cb -0.14 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1swc s ASN 105 CO -0.11 0.03 -0.05 0.42 -1.51 0.00 0.00 177.10 175.89 1swc s THR 106 N 1.24 1.44 0.09 1.60 -4.23 0.11 -1.80 115.64 114.10 1swc s THR 106 Ca 0.07 -2.10 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 1swc s THR 106 Cb -0.14 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1swc s THR 106 CO 0.06 -0.34 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.45 1swc s GLN 107 N -3.77 1.47 0.07 3.99 -1.52 -0.45 -1.73 119.66 117.72 1swc s GLN 107 Ca 0.28 -1.21 0.02 0.00 -1.95 0.00 0.00 55.36 52.50 1swc s GLN 107 Cb 0.04 -1.81 -0.03 0.00 -0.22 0.00 0.00 33.01 30.99 1swc s GLN 107 CO 0.10 0.44 -0.08 1.67 -0.25 0.00 0.00 175.29 177.18 1swc s TRP 108 N -0.98 0.81 -0.09 0.91 1.48 0.74 -1.05 118.94 120.76 1swc s TRP 108 Ca 0.12 -0.68 0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1swc s TRP 108 Cb -0.10 -0.47 0.01 0.00 -1.16 0.00 0.00 33.47 31.75 1swc s TRP 108 CO 0.04 -0.10 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.17 1swc s LEU 109 N -2.25 1.74 -0.23 -4.66 1.43 -0.00 -1.58 118.68 113.13 1swc s LEU 109 Ca 0.00 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1swc s LEU 109 Cb -0.03 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1swc s LEU 109 CO -0.02 0.04 -0.06 -0.22 0.23 0.00 0.00 176.35 176.32 1swc s LEU 110 N 0.81 2.96 -0.13 1.79 2.96 0.32 -1.12 118.68 126.27 1swc s LEU 110 Ca -0.11 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1swc s LEU 110 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1swc s LEU 110 CO 0.02 -0.07 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.02 1swc s THR 111 N 1.40 3.70 0.02 3.68 2.01 -0.16 -1.45 115.64 124.84 1swc s THR 111 Ca 0.03 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1swc s THR 111 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1swc s THR 111 CO -0.05 0.52 0.06 -0.44 -0.69 0.00 0.00 174.62 174.02 1swc s SER 112 N 0.14 5.48 0.18 3.53 0.01 -0.56 -0.93 113.70 121.55 1swc s SER 112 Ca -0.03 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 1swc s SER 112 Cb -0.14 -1.50 -0.08 0.00 0.21 0.00 0.00 66.02 64.50 1swc s SER 112 CO 0.03 0.24 1.31 -0.83 0.41 0.00 0.00 173.24 174.41 1swc s GLY 113 N -1.89 2.40 0.05 3.44 0.00 -0.77 -4.80 107.32 105.75 1swc s GLY 113 Ca 0.24 1.10 -0.06 0.00 0.00 0.00 0.00 44.72 46.00 1swc s GLY 113 CO 0.15 2.10 0.11 -0.51 0.00 0.00 0.00 173.10 174.95 1swc s THR 114 N 0.27 0.14 0.84 0.90 -4.23 -1.26 -5.02 115.64 107.28 1swc s THR 114 Ca 0.58 -1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 59.81 1swc s THR 114 Cb -0.36 -1.02 0.09 0.00 1.34 0.00 0.00 72.50 72.55 1swc s THR 114 CO 0.37 -0.64 1.12 0.42 -0.54 0.00 0.00 174.62 175.35 1swc s THR 115 N -2.92 2.61 0.32 3.99 -4.23 -1.26 -4.89 115.64 109.26 1swc s THR 115 Ca -0.02 0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1swc s THR 115 Cb 0.01 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1swc s THR 115 CO -0.06 -0.26 1.98 -0.33 -0.54 0.00 0.00 174.62 175.41 1swc h GLU 116 N -1.23 0.99 0.00 3.99 3.07 -2.02 -1.84 114.58 117.54 1swc h GLU 116 Ca -0.48 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 1swc h GLU 116 Cb 1.30 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1swc h GLU 116 CO 0.61 0.65 -0.06 0.00 -1.40 0.00 0.00 179.01 178.81 1swc h ALA 117 N 1.53 1.78 -0.61 3.43 0.00 -2.07 -2.37 119.26 120.95 1swc h ALA 117 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1swc h ALA 117 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1swc h ALA 117 CO -0.07 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1swc n ASN 118 N -4.29 3.67 0.26 0.00 3.02 -0.71 -4.57 115.26 112.64 1swc n ASN 118 Ca -0.03 -2.02 0.10 0.00 -0.03 0.00 0.00 54.58 52.61 1swc n ASN 118 Cb 0.14 -0.42 0.69 0.00 -0.61 0.00 0.00 39.78 39.59 1swc n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swc h ALA 119 N 3.59 1.60 0.00 5.41 0.00 -1.20 -1.85 119.26 126.82 1swc h ALA 119 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1swc h ALA 119 Cb 0.93 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1swc h ALA 119 CO 0.01 0.11 -0.07 0.11 0.00 0.00 0.00 179.25 179.40 1swc h TRP 120 N 0.00 0.00 -0.41 0.00 5.08 -1.81 -1.59 115.95 117.21 1swc h TRP 120 Ca -0.00 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.77 1swc h TRP 120 Cb 0.18 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.22 1swc h TRP 120 CO 0.00 0.07 0.01 0.36 -1.28 0.00 0.00 178.44 177.60 1swc n LYS 121 N -3.62 2.01 0.01 0.12 2.85 -0.70 -4.71 118.16 114.12 1swc n LYS 121 Ca -0.02 -3.14 0.12 0.00 -1.05 0.00 0.00 58.31 54.22 1swc n LYS 121 Cb 0.19 -1.86 0.13 0.00 -0.65 0.00 0.00 35.03 32.84 1swc n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swc n SER 122 N -1.06 0.62 -3.99 -5.58 3.41 -0.60 -4.88 113.62 101.55 1swc n SER 122 Ca 0.35 -0.31 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1swc n SER 122 Cb 1.09 0.48 -0.17 0.00 -0.26 0.00 0.00 64.21 65.36 1swc n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swc s THR 123 N -3.06 1.45 0.03 6.66 2.01 -1.26 -1.49 115.64 119.97 1swc s THR 123 Ca 0.08 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1swc s THR 123 Cb 0.16 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1swc s THR 123 CO 0.75 0.40 0.27 -0.76 -0.69 0.00 0.00 174.62 174.59 1swc s LEU 124 N 1.53 4.35 0.02 4.42 1.43 -0.53 -4.93 118.68 124.98 1swc s LEU 124 Ca 0.04 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 1swc s LEU 124 Cb -0.13 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1swc s LEU 124 CO -0.10 0.22 -0.26 0.54 0.23 0.00 0.00 176.35 176.98 1swc s VAL 125 N -1.37 2.06 0.00 -1.59 0.11 -1.26 -0.52 120.40 117.83 1swc s VAL 125 Ca 0.30 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1swc s VAL 125 Cb -0.13 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1swc s VAL 125 CO 0.19 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1swc n GLY 126 N 2.01 2.42 3.03 6.54 0.00 -0.62 -4.99 105.19 113.58 1swc n GLY 126 Ca -0.17 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1swc n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swc s HIS 127 N -7.34 0.33 -0.00 1.61 -3.43 -1.26 -0.18 115.29 105.01 1swc s HIS 127 Ca 0.00 -0.68 -0.05 0.00 -0.80 0.00 0.00 55.06 53.54 1swc s HIS 127 Cb 0.00 -0.24 -0.00 0.00 -1.43 0.00 0.00 32.58 30.91 1swc s HIS 127 CO 0.00 -0.26 0.09 -0.51 -2.00 0.00 0.00 174.74 172.06 1swc s ASP 128 N -1.95 0.05 -0.07 7.38 1.01 -0.71 -4.93 116.67 117.46 1swc s ASP 128 Ca -0.08 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.00 1swc s ASP 128 Cb -0.04 0.18 0.01 0.00 1.01 0.00 0.00 42.92 44.08 1swc s ASP 128 CO -0.04 -0.29 -0.15 -0.89 0.21 0.00 0.00 175.17 174.00 1swc s THR 129 N -1.14 1.38 0.04 -1.27 2.01 -1.26 0.08 115.64 115.47 1swc s THR 129 Ca -0.12 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1swc s THR 129 Cb -0.07 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1swc s THR 129 CO 0.01 0.41 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.79 1swc s PHE 130 N 0.58 2.52 0.07 4.92 0.40 -0.43 -4.21 117.98 121.83 1swc s PHE 130 Ca -0.16 -0.28 0.09 0.00 -0.60 0.00 0.00 56.93 55.99 1swc s PHE 130 Cb -0.16 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1swc s PHE 130 CO 0.05 0.23 -0.25 0.95 0.70 0.00 0.00 175.22 176.90 1swc s THR 131 N -0.90 2.05 -2.00 0.64 -4.23 -0.67 -0.90 115.64 109.62 1swc s THR 131 Ca 0.14 -1.46 0.25 0.00 -1.18 0.00 0.00 61.69 59.44 1swc s THR 131 Cb -0.10 -1.78 0.70 0.00 1.34 0.00 0.00 72.50 72.66 1swc s THR 131 CO 0.05 0.23 1.84 1.17 -0.54 0.00 0.00 174.62 177.36