#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swq h ILE 17 N 0.00 1.23 -3.65 -0.61 2.04 -1.99 -3.44 117.51 111.10 1swq h ILE 17 Ca 0.00 -0.94 -0.53 0.00 1.00 0.00 0.00 64.86 64.39 1swq h ILE 17 Cb 0.00 0.88 0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1swq h ILE 17 CO 0.00 0.33 0.75 -0.89 0.00 0.00 0.00 178.15 178.34 1swq s THR 18 N -5.00 2.43 -3.88 -0.27 2.01 -1.26 -4.79 115.64 104.87 1swq s THR 18 Ca -0.09 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1swq s THR 18 Cb 0.15 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1swq s THR 18 CO 0.80 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1swq n GLY 19 N 1.37 0.78 3.52 4.40 0.00 -0.15 -5.02 105.19 110.09 1swq n GLY 19 Ca 0.04 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1swq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swq s THR 20 N -2.65 3.90 0.14 2.61 2.01 -1.26 -1.77 115.64 118.62 1swq s THR 20 Ca 0.00 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1swq s THR 20 Cb 0.00 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1swq s THR 20 CO 0.00 0.51 -0.14 0.26 -0.69 0.00 0.00 174.62 174.56 1swq s TRP 21 N 0.13 1.49 0.03 4.92 0.52 -0.39 -4.51 118.94 121.13 1swq s TRP 21 Ca -0.01 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.57 1swq s TRP 21 Cb -0.14 -0.76 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 1swq s TRP 21 CO 0.03 0.20 -0.08 0.71 0.02 0.00 0.00 176.95 177.82 1swq s TYR 22 N -2.37 0.71 0.57 -1.98 2.02 0.47 -1.09 117.35 115.68 1swq s TYR 22 Ca 0.13 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.56 1swq s TYR 22 Cb -0.04 -0.43 0.08 0.00 -0.40 0.00 0.00 41.96 41.17 1swq s TYR 22 CO 0.04 -0.04 0.79 0.54 -1.57 0.00 0.00 175.55 175.31 1swq s ASN 23 N -1.03 5.07 0.48 2.29 4.22 -0.94 -1.18 114.94 123.86 1swq s ASN 23 Ca -0.04 -0.65 0.25 0.00 -2.14 0.00 0.00 52.86 50.28 1swq s ASN 23 Cb -0.07 0.03 1.22 0.00 1.28 0.00 0.00 41.25 43.71 1swq s ASN 23 CO 0.00 -1.33 1.97 0.06 -2.04 0.00 0.00 177.10 175.77 1swq h GLN 24 N 0.13 0.00 -0.00 3.55 -0.00 -1.90 -3.15 115.11 113.73 1swq h GLN 24 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 1swq h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swq h GLN 24 CO 0.42 0.18 -0.68 1.28 -0.00 0.00 0.00 178.83 180.03 1swq n LEU 25 N -3.58 1.06 0.00 0.06 4.77 -1.26 -4.95 117.00 113.10 1swq n LEU 25 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1swq n LEU 25 Cb 0.32 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1swq n LEU 25 CO 0.32 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1swq n GLY 26 N 1.47 1.71 3.79 -0.72 0.00 -1.19 -5.11 105.19 105.13 1swq n GLY 26 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1swq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 27 N -1.72 5.93 -0.03 1.61 0.01 -1.26 -4.86 113.70 113.37 1swq s SER 27 Ca 0.00 2.00 0.07 0.00 1.31 0.00 0.00 55.95 59.33 1swq s SER 27 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1swq s SER 27 CO 0.00 -1.07 -0.24 -0.89 0.41 0.00 0.00 173.24 171.45 1swq s THR 28 N -2.01 1.95 -0.15 1.44 2.01 0.46 -2.20 115.64 117.13 1swq s THR 28 Ca 0.69 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1swq s THR 28 Cb -0.19 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.72 1swq s THR 28 CO 0.27 0.55 -0.09 0.12 -0.69 0.00 0.00 174.62 174.78 1swq s PHE 29 N -0.40 1.83 -0.42 4.92 5.36 -0.25 -0.37 117.98 128.66 1swq s PHE 29 Ca 0.04 -1.05 -0.14 0.00 -0.96 0.00 0.00 56.93 54.82 1swq s PHE 29 Cb -0.11 -1.40 0.04 0.00 -0.34 0.00 0.00 43.02 41.21 1swq s PHE 29 CO 0.01 -0.61 0.31 0.42 -1.46 0.00 0.00 175.22 173.89 1swq s ILE 30 N 1.59 5.05 0.14 3.12 -1.09 0.13 -1.27 121.20 128.87 1swq s ILE 30 Ca 0.03 -0.88 0.10 0.00 -2.23 0.00 0.00 60.65 57.67 1swq s ILE 30 Cb -0.14 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1swq s ILE 30 CO -0.09 -0.39 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.34 1swq s VAL 31 N 1.63 2.68 -0.18 2.92 1.01 -0.73 -0.95 120.40 126.77 1swq s VAL 31 Ca 0.04 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.36 1swq s VAL 31 Cb -0.21 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1swq s VAL 31 CO 0.08 0.03 -0.19 -0.89 0.00 0.00 0.00 175.10 174.13 1swq s THR 32 N -1.29 2.05 -0.34 3.92 2.01 0.48 -0.98 115.64 121.49 1swq s THR 32 Ca 0.18 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 1swq s THR 32 Cb -0.10 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1swq s THR 32 CO 0.10 0.50 0.67 0.00 -0.69 0.00 0.00 174.62 175.20 1swq s ALA 33 N 1.29 3.48 0.42 7.40 0.00 -1.26 -1.50 121.76 131.58 1swq s ALA 33 Ca 0.04 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1swq s ALA 33 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1swq s ALA 33 CO -0.12 -1.28 0.75 0.20 0.00 0.00 0.00 175.76 175.31 1swq s GLY 34 N 1.75 1.80 0.41 0.00 0.00 0.11 -4.92 107.32 106.46 1swq s GLY 34 Ca 0.26 -0.33 0.07 0.00 0.00 0.00 0.00 44.72 44.72 1swq s GLY 34 CO 0.14 -0.16 2.05 0.00 0.00 0.00 0.00 173.10 175.13 1swq h ALA 35 N 0.98 1.73 -1.15 3.20 0.00 -1.98 -2.65 119.26 119.40 1swq h ALA 35 Ca -0.47 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 1swq h ALA 35 Cb 1.19 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 1swq h ALA 35 CO 0.63 0.24 0.11 -3.47 0.00 0.00 0.00 179.25 176.77 1swq n ASP 36 N -4.47 6.16 0.00 0.00 2.03 -1.26 -4.92 116.55 114.09 1swq n ASP 36 Ca 0.04 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.57 1swq n ASP 36 Cb 0.09 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1swq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swq n GLY 37 N -0.60 0.76 3.77 0.27 0.00 -1.00 -5.01 105.19 103.38 1swq n GLY 37 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 1swq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq s ALA 38 N -2.66 3.34 -0.22 4.61 0.00 -1.26 -1.09 121.76 124.48 1swq s ALA 38 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.40 1swq s ALA 38 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1swq s ALA 38 CO 0.00 0.23 0.01 -0.51 0.00 0.00 0.00 175.76 175.49 1swq s LEU 39 N -1.49 3.21 0.08 0.00 1.02 0.12 0.08 118.68 121.70 1swq s LEU 39 Ca 0.42 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1swq s LEU 39 Cb -0.22 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 1swq s LEU 39 CO 0.27 0.01 -0.09 0.42 0.02 0.00 0.00 176.35 176.98 1swq s THR 40 N 1.30 0.80 -4.41 5.49 -4.23 -0.56 -1.40 115.64 112.63 1swq s THR 40 Ca 0.04 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1swq s THR 40 Cb -0.15 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1swq s THR 40 CO 0.01 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1swq n GLY 41 N 0.88 -0.80 3.07 3.99 0.00 -1.20 -0.39 105.19 110.75 1swq n GLY 41 Ca -0.19 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 1swq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swq s THR 42 N -3.00 0.85 -0.21 2.61 -4.23 -0.13 -1.83 115.64 109.70 1swq s THR 42 Ca 0.00 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1swq s THR 42 Cb 0.00 -0.74 -0.02 0.00 1.34 0.00 0.00 72.50 73.08 1swq s THR 42 CO 0.00 0.12 0.00 -0.47 -0.54 0.00 0.00 174.62 173.74 1swq s TYR 43 N -0.47 3.03 -0.24 3.99 5.04 0.10 -0.70 117.35 128.10 1swq s TYR 43 Ca 0.02 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1swq s TYR 43 Cb -0.05 -2.10 0.04 0.00 0.35 0.00 0.00 41.96 40.19 1swq s TYR 43 CO 0.00 -0.29 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.61 1swq s GLU 44 N 1.13 2.67 0.35 4.97 2.02 0.51 -0.56 118.70 129.78 1swq s GLU 44 Ca 0.03 -1.07 0.13 0.00 0.02 0.00 0.00 54.97 54.08 1swq s GLU 44 Cb -0.14 -2.88 0.64 0.00 0.10 0.00 0.00 34.13 31.84 1swq s GLU 44 CO 0.01 -0.42 1.76 0.77 0.02 0.00 0.00 175.26 177.40 1swq h SER 45 N 7.93 0.00 -0.45 -0.19 0.02 -1.61 0.13 113.55 119.38 1swq h SER 45 Ca -0.31 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1swq h SER 45 Cb 1.09 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 1swq h SER 45 CO 0.55 0.44 0.10 0.00 -1.14 0.00 0.00 176.83 176.78 1swq h ALA 50 N 1.56 0.50 0.00 3.77 0.00 -2.01 -3.45 119.26 119.64 1swq h ALA 50 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1swq h ALA 50 Cb 0.81 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1swq h ALA 50 CO 0.06 -0.30 0.00 1.05 0.00 0.00 0.00 179.25 180.05 1swq h GLU 51 N 0.24 0.00 -0.57 0.00 9.09 -2.02 -1.45 114.58 119.87 1swq h GLU 51 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1swq h GLU 51 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1swq h GLU 51 CO -0.28 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.65 1swq n SER 52 N -2.92 3.68 -4.81 3.06 3.41 -1.26 -4.71 113.62 110.07 1swq n SER 52 Ca -0.02 -2.09 -0.36 0.00 -0.26 0.00 0.00 58.87 56.14 1swq n SER 52 Cb 0.13 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1swq n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1swq s ARG 53 N -1.16 3.83 0.02 4.33 3.52 -0.55 -1.70 118.95 127.24 1swq s ARG 53 Ca 0.40 -0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 1swq s ARG 53 Cb 0.22 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 1swq s ARG 53 CO 0.25 0.56 -0.01 0.71 -0.81 0.00 0.00 175.30 176.00 1swq s TYR 54 N -0.43 0.23 0.23 5.12 1.51 0.27 -4.78 117.35 119.50 1swq s TYR 54 Ca 0.14 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1swq s TYR 54 Cb -0.12 -0.17 -0.09 0.00 -0.11 0.00 0.00 41.96 41.47 1swq s TYR 54 CO 0.04 -0.20 1.03 0.08 -1.11 0.00 0.00 175.55 175.38 1swq s VAL 55 N -1.43 3.87 0.14 0.71 1.01 -1.26 -0.73 120.40 122.71 1swq s VAL 55 Ca -0.16 1.79 0.10 0.00 0.00 0.00 0.00 61.98 63.71 1swq s VAL 55 Cb -0.10 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1swq s VAL 55 CO -0.01 0.39 -0.19 -1.48 0.00 0.00 0.00 175.10 173.81 1swq s LEU 56 N -0.99 2.65 -0.03 3.92 0.05 -0.76 -4.30 118.68 119.21 1swq s LEU 56 Ca 0.44 -0.64 -0.11 0.00 0.05 0.00 0.00 54.13 53.87 1swq s LEU 56 Cb -0.28 -1.46 0.02 0.00 -2.05 0.00 0.00 46.19 42.42 1swq s LEU 56 CO 0.36 0.15 0.25 0.28 -0.55 0.00 0.00 176.35 176.84 1swq s THR 57 N -1.33 0.05 0.00 5.48 -1.32 -0.53 -3.22 115.64 114.77 1swq s THR 57 Ca 0.19 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1swq s THR 57 Cb -0.10 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1swq s THR 57 CO 0.10 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1swq n GLY 58 N 1.82 1.33 3.16 6.08 0.00 -0.49 -0.42 105.19 116.66 1swq n GLY 58 Ca -0.19 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1swq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swq s ARG 59 N 0.69 0.81 0.15 1.61 1.81 -0.76 -0.71 118.95 122.56 1swq s ARG 59 Ca 0.00 -1.22 -0.12 0.00 -1.72 0.00 0.00 55.73 52.68 1swq s ARG 59 Cb 0.00 0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.77 1swq s ARG 59 CO 0.00 -0.22 0.33 1.52 -0.68 0.00 0.00 175.30 176.25 1swq s TYR 60 N -3.95 0.16 -0.51 -0.53 1.13 -0.25 -1.42 117.35 111.97 1swq s TYR 60 Ca 0.12 -0.52 -0.28 0.00 -1.41 0.00 0.00 57.07 54.98 1swq s TYR 60 Cb 0.07 0.08 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1swq s TYR 60 CO -0.06 -0.72 1.29 0.34 -2.51 0.00 0.00 175.55 173.89 1swq s ASP 61 N -2.90 6.38 0.00 -0.18 2.15 -0.31 -4.59 116.67 117.21 1swq s ASP 61 Ca 0.11 0.40 0.28 0.00 0.43 0.00 0.00 52.55 53.77 1swq s ASP 61 Cb 0.03 -2.55 1.08 0.00 -0.30 0.00 0.00 42.92 41.18 1swq s ASP 61 CO -0.05 -1.48 1.78 -1.54 -0.17 0.00 0.00 175.17 173.71 1swq n SER 62 N 8.71 0.44 -3.26 -0.34 3.41 -1.26 -4.13 113.62 117.19 1swq n SER 62 Ca 0.12 -0.38 -0.25 0.00 -0.26 0.00 0.00 58.87 58.11 1swq n SER 62 Cb 0.49 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1swq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swq n ALA 63 N -1.10 2.59 -1.40 7.33 0.00 -1.26 -5.04 120.51 121.63 1swq n ALA 63 Ca 0.12 -3.36 -0.30 0.00 0.00 0.00 0.00 53.44 49.89 1swq n ALA 63 Cb 0.30 -0.80 0.21 0.00 0.00 0.00 0.00 19.45 19.16 1swq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swq s PRO 64 N -0.89 -0.32 0.46 0.00 0.04 -1.26 -5.00 135.00 128.04 1swq s PRO 64 Ca 0.35 -0.11 -0.25 0.00 0.04 0.00 0.00 61.00 61.02 1swq s PRO 64 Cb 0.13 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 1swq s PRO 64 CO -0.13 -3.10 1.40 0.00 0.04 0.00 0.00 177.00 175.20 1swq s ALA 65 N -3.31 3.16 -0.25 8.56 0.00 -1.26 -4.94 121.76 123.72 1swq s ALA 65 Ca 0.71 1.41 0.13 0.00 0.00 0.00 0.00 51.96 54.20 1swq s ALA 65 Cb -0.09 -3.57 0.63 0.00 0.00 0.00 0.00 23.12 20.09 1swq s ALA 65 CO 0.55 -1.17 1.59 0.25 0.00 0.00 0.00 175.76 176.98 1swq n THR 66 N -0.31 2.60 0.77 0.00 -2.24 -1.26 -4.42 114.28 109.41 1swq n THR 66 Ca 0.06 -1.89 0.12 0.00 -2.27 0.00 0.00 64.05 60.07 1swq n THR 66 Cb 0.43 -0.30 0.22 0.00 -2.10 0.00 0.00 70.33 68.57 1swq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swq n ASP 67 N -0.37 2.93 0.00 3.42 5.68 -1.26 -4.92 116.55 122.03 1swq n ASP 67 Ca 0.30 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1swq n ASP 67 Cb 1.11 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.97 1swq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swq n GLY 68 N 1.38 0.48 3.77 6.12 0.00 -1.26 -5.09 105.19 110.60 1swq n GLY 68 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1swq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 69 N -2.05 5.25 0.98 1.61 0.01 -1.26 -5.05 113.70 113.19 1swq s SER 69 Ca 0.00 2.03 -0.16 0.00 1.31 0.00 0.00 55.95 59.13 1swq s SER 69 Cb 0.00 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.87 1swq s SER 69 CO 0.00 -1.53 1.24 -0.83 0.41 0.00 0.00 173.24 172.52 1swq s GLY 70 N -2.43 1.69 -0.30 3.44 0.00 -1.26 -4.80 107.32 103.66 1swq s GLY 70 Ca 0.68 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 1swq s GLY 70 CO 0.38 -0.26 0.18 -1.59 0.00 0.00 0.00 173.10 171.82 1swq s THR 71 N -3.59 5.07 0.24 0.90 2.01 -0.40 -4.78 115.64 115.10 1swq s THR 71 Ca 0.70 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1swq s THR 71 Cb -0.07 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1swq s THR 71 CO 0.53 0.16 1.28 0.00 -0.69 0.00 0.00 174.62 175.90 1swq s ALA 72 N 1.71 3.50 0.19 7.40 0.00 -1.26 -0.09 121.76 133.21 1swq s ALA 72 Ca 0.06 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1swq s ALA 72 Cb -0.16 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1swq s ALA 72 CO 0.09 -0.51 0.45 -0.48 0.00 0.00 0.00 175.76 175.31 1swq s LEU 73 N -0.73 0.39 0.11 0.00 0.05 0.10 -1.16 118.68 117.43 1swq s LEU 73 Ca 0.53 -0.67 -0.20 0.00 0.05 0.00 0.00 54.13 53.83 1swq s LEU 73 Cb -0.37 1.80 0.05 0.00 -2.05 0.00 0.00 46.19 45.62 1swq s LEU 73 CO 0.42 -1.02 0.50 -0.83 -0.55 0.00 0.00 176.35 174.87 1swq s GLY 74 N -2.93 -0.42 0.12 -3.48 0.00 -0.51 -1.51 107.32 98.59 1swq s GLY 74 Ca 0.14 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 45.00 1swq s GLY 74 CO 0.00 0.03 0.45 0.66 0.00 0.00 0.00 173.10 174.24 1swq s TRP 75 N -3.33 -0.30 0.01 1.90 -2.14 -0.52 -1.82 118.94 112.75 1swq s TRP 75 Ca -0.00 0.06 0.06 0.00 2.66 0.00 0.00 56.10 58.88 1swq s TRP 75 Cb 0.00 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.67 1swq s TRP 75 CO -0.09 -0.71 -0.20 0.99 -2.66 0.00 0.00 176.95 174.28 1swq s THR 76 N -3.55 1.56 -0.12 0.66 2.01 0.44 -0.67 115.64 115.96 1swq s THR 76 Ca 0.01 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1swq s THR 76 Cb 0.01 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1swq s THR 76 CO -0.10 0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.32 1swq s VAL 77 N -0.58 1.59 -0.12 3.82 1.01 -0.27 -1.45 120.40 124.39 1swq s VAL 77 Ca 0.07 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1swq s VAL 77 Cb -0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1swq s VAL 77 CO 0.00 0.46 0.31 0.00 0.00 0.00 0.00 175.10 175.87 1swq s ALA 78 N 1.09 3.63 -0.38 5.51 0.00 -1.26 -0.56 121.76 129.80 1swq s ALA 78 Ca -0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1swq s ALA 78 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1swq s ALA 78 CO -0.04 0.21 3.00 0.91 0.00 0.00 0.00 175.76 179.85 1swq n TRP 79 N 3.09 1.20 -4.74 0.00 7.02 -0.63 -4.76 117.44 118.61 1swq n TRP 79 Ca -0.13 -1.87 -0.28 0.00 -1.02 0.00 0.00 57.50 54.20 1swq n TRP 79 Cb 0.52 -1.48 -0.17 0.00 -2.42 0.00 0.00 31.31 27.77 1swq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swq s LYS 80 N -0.88 2.31 0.00 -0.99 2.20 -1.26 -0.84 119.74 120.28 1swq s LYS 80 Ca 0.61 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1swq s LYS 80 Cb 0.36 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1swq s LYS 80 CO -0.15 0.04 0.00 0.27 -0.36 0.00 0.00 175.35 175.15 1swq n ASN 81 N 3.85 0.59 0.20 1.43 0.23 -0.05 -4.77 115.26 116.73 1swq n ASN 81 Ca -0.20 -0.78 0.14 0.00 -0.53 0.00 0.00 54.58 53.21 1swq n ASN 81 Cb 0.52 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.76 1swq n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swq h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.92 -3.27 115.58 113.26 1swq h ASN 82 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1swq h ASN 82 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1swq h ASN 82 CO 0.00 0.00 -1.78 -1.22 -1.65 0.00 0.00 177.43 172.78 1swq n TYR 83 N -2.65 0.00 -4.06 1.19 4.02 -1.26 -5.06 117.16 109.33 1swq n TYR 83 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 1swq n TYR 83 Cb 0.30 -0.56 -0.11 0.00 -0.02 0.00 0.00 39.34 38.96 1swq n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1swq s ARG 84 N -2.32 0.54 -0.20 -0.72 0.52 -1.24 -5.13 118.95 110.41 1swq s ARG 84 Ca -0.06 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.15 1swq s ARG 84 Cb 0.04 0.01 0.08 0.00 0.52 0.00 0.00 34.95 35.60 1swq s ARG 84 CO 0.48 -0.04 0.16 1.21 0.02 0.00 0.00 175.30 177.13 1swq s ASN 85 N -2.22 2.02 0.00 0.23 3.84 -1.26 -0.88 114.94 116.67 1swq s ASN 85 Ca -0.03 -0.52 0.28 0.00 0.21 0.00 0.00 52.86 52.80 1swq s ASN 85 Cb -0.02 0.05 1.13 0.00 -0.55 0.00 0.00 41.25 41.86 1swq s ASN 85 CO -0.04 -0.35 1.84 0.00 -2.79 0.00 0.00 177.10 175.76 1swq n ALA 86 N 5.29 2.59 -3.77 1.71 0.00 -0.02 -4.95 120.51 121.36 1swq n ALA 86 Ca -0.06 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 1swq n ALA 86 Cb 0.48 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1swq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swq n HIS 87 N -1.45 -1.83 -3.94 0.00 -0.00 -1.26 -4.86 115.22 101.87 1swq n HIS 87 Ca 0.08 0.74 -0.09 0.00 -0.00 0.00 0.00 57.72 58.45 1swq n HIS 87 Cb 0.33 -4.00 -0.03 0.00 -0.00 0.00 0.00 29.99 26.29 1swq n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swq s SER 88 N -4.19 -0.04 -0.08 0.41 1.04 -1.26 -1.35 113.70 108.23 1swq s SER 88 Ca 0.10 -0.91 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 1swq s SER 88 Cb -0.03 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1swq s SER 88 CO 0.84 -1.29 0.26 0.00 0.98 0.00 0.00 173.24 174.04 1swq s ALA 89 N -3.69 -0.66 -0.09 5.32 0.00 -0.26 -1.61 121.76 120.78 1swq s ALA 89 Ca 0.19 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1swq s ALA 89 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1swq s ALA 89 CO 0.10 -0.15 -0.15 0.99 0.00 0.00 0.00 175.76 176.55 1swq s THR 90 N -0.16 2.96 -0.05 0.00 2.01 0.27 -0.88 115.64 119.79 1swq s THR 90 Ca -0.03 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1swq s THR 90 Cb -0.03 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1swq s THR 90 CO 0.01 0.56 -0.17 0.42 -0.69 0.00 0.00 174.62 174.75 1swq s THR 91 N -0.14 2.82 -0.10 -0.82 -4.23 0.26 -1.12 115.64 112.31 1swq s THR 91 Ca -0.01 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1swq s THR 91 Cb -0.14 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 1swq s THR 91 CO 0.03 0.58 -0.13 0.26 -0.54 0.00 0.00 174.62 174.83 1swq s TRP 92 N -0.57 2.78 -0.07 3.99 0.51 0.15 -1.05 118.94 124.69 1swq s TRP 92 Ca 0.08 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1swq s TRP 92 Cb -0.11 -1.76 0.02 0.00 -0.81 0.00 0.00 33.47 30.80 1swq s TRP 92 CO 0.01 -0.04 -0.10 0.45 -0.51 0.00 0.00 176.95 176.77 1swq s SER 93 N -0.10 1.64 0.00 2.95 0.15 -0.12 -1.43 113.70 116.79 1swq s SER 93 Ca -0.02 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1swq s SER 93 Cb -0.14 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1swq s SER 93 CO 0.04 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1swq n GLY 94 N 4.04 1.25 3.26 9.45 0.00 -0.57 -1.77 105.19 120.84 1swq n GLY 94 Ca -0.22 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1swq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swq s GLN 95 N 1.52 0.63 -0.05 1.61 -2.07 -0.94 -0.73 119.66 119.62 1swq s GLN 95 Ca 0.00 0.03 -0.20 0.00 -1.82 0.00 0.00 55.36 53.37 1swq s GLN 95 Cb 0.00 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1swq s GLN 95 CO 0.00 -0.16 0.57 -0.47 -1.32 0.00 0.00 175.29 173.91 1swq s TYR 96 N -0.89 3.61 -0.38 9.60 5.04 0.87 -1.84 117.35 133.36 1swq s TYR 96 Ca -0.10 1.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1swq s TYR 96 Cb -0.04 -2.61 0.11 0.00 0.35 0.00 0.00 41.96 39.76 1swq s TYR 96 CO 0.04 0.25 0.10 0.08 -1.34 0.00 0.00 175.55 174.68 1swq s VAL 97 N 0.24 2.47 1.04 3.14 1.01 0.34 -1.28 120.40 127.37 1swq s VAL 97 Ca 0.30 -2.46 -0.12 0.00 0.00 0.00 0.00 61.98 59.70 1swq s VAL 97 Cb -0.17 -2.79 0.22 0.00 0.00 0.00 0.00 36.38 33.64 1swq s VAL 97 CO 0.15 -0.64 1.08 -0.83 0.00 0.00 0.00 175.10 174.85 1swq s GLY 98 N 0.84 1.60 0.00 4.51 0.00 -1.26 0.52 107.32 113.53 1swq s GLY 98 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1swq s GLY 98 CO -0.06 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.35 1swq n GLY 99 N 0.31 -0.66 0.44 0.20 0.00 -1.26 -4.61 105.19 99.61 1swq n GLY 99 Ca 0.06 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1swq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq h ALA 100 N 0.00 -0.84 -2.49 4.61 0.00 -2.06 -2.22 119.26 116.26 1swq h ALA 100 Ca 0.00 -0.04 -0.78 0.00 0.00 0.00 0.00 54.91 54.09 1swq h ALA 100 Cb 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.52 1swq h ALA 100 CO 0.00 -1.04 0.41 0.39 0.00 0.00 0.00 179.25 179.01 1swq n GLU 101 N -5.24 3.54 -1.65 0.00 -0.58 -1.26 -5.04 120.64 110.41 1swq n GLU 101 Ca -0.05 -4.48 -0.46 0.00 -0.42 0.00 0.00 57.16 51.75 1swq n GLU 101 Cb 0.35 -2.52 -0.03 0.00 -0.57 0.00 0.00 31.44 28.67 1swq n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swq n ALA 102 N 2.36 0.70 -3.09 0.62 0.00 -0.84 -4.91 120.51 115.33 1swq n ALA 102 Ca 0.24 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 1swq n ALA 102 Cb 0.38 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 1swq n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swq s ARG 103 N -0.25 1.31 -0.20 0.00 3.03 0.19 -4.44 118.95 118.57 1swq s ARG 103 Ca 0.71 -0.99 0.02 0.00 2.03 0.00 0.00 55.73 57.49 1swq s ARG 103 Cb -0.70 0.47 0.04 0.00 -1.03 0.00 0.00 34.95 33.72 1swq s ARG 103 CO 0.49 -0.53 -0.16 0.42 -1.13 0.00 0.00 175.30 174.39 1swq s ILE 104 N -3.91 2.01 -0.24 4.99 1.01 -0.50 0.13 121.20 124.68 1swq s ILE 104 Ca 0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 1swq s ILE 104 Cb 0.00 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1swq s ILE 104 CO -0.01 0.32 0.16 0.20 0.00 0.00 0.00 174.94 175.60 1swq s ASN 105 N 1.26 6.08 0.26 3.58 0.01 -0.76 -0.42 114.94 124.94 1swq s ASN 105 Ca -0.00 0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1swq s ASN 105 Cb -0.16 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 1swq s ASN 105 CO -0.10 0.05 0.02 0.42 -1.51 0.00 0.00 177.10 175.98 1swq s THR 106 N 1.15 1.06 0.04 1.60 -4.23 0.38 -2.22 115.64 113.42 1swq s THR 106 Ca 0.07 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1swq s THR 106 Cb -0.14 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1swq s THR 106 CO 0.05 -0.22 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.58 1swq s GLN 107 N -3.88 1.59 0.13 3.99 -0.21 -0.73 -1.74 119.66 118.82 1swq s GLN 107 Ca 0.31 -1.01 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1swq s GLN 107 Cb 0.06 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 1swq s GLN 107 CO 0.11 0.45 -0.11 1.67 -2.12 0.00 0.00 175.29 175.28 1swq s TRP 108 N -0.79 1.26 -0.07 0.91 1.48 0.17 -0.94 118.94 120.95 1swq s TRP 108 Ca 0.09 -0.66 0.02 0.00 -1.06 0.00 0.00 56.10 54.49 1swq s TRP 108 Cb -0.09 -0.65 0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1swq s TRP 108 CO 0.02 0.09 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.37 1swq s LEU 109 N -2.77 1.61 -0.26 -4.66 1.43 -0.21 -1.96 118.68 111.86 1swq s LEU 109 Ca 0.11 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1swq s LEU 109 Cb -0.01 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1swq s LEU 109 CO 0.01 0.02 -0.06 -0.22 0.23 0.00 0.00 176.35 176.33 1swq s LEU 110 N 0.77 3.32 -0.11 1.79 2.96 0.25 -0.57 118.68 127.08 1swq s LEU 110 Ca -0.13 -1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 52.75 1swq s LEU 110 Cb -0.15 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1swq s LEU 110 CO 0.02 -0.16 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.00 1swq s THR 111 N 1.28 4.22 -0.01 3.68 2.01 -0.06 -0.34 115.64 126.42 1swq s THR 111 Ca -0.02 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1swq s THR 111 Cb -0.18 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1swq s THR 111 CO -0.04 0.56 0.00 -0.44 -0.69 0.00 0.00 174.62 174.01 1swq s SER 112 N -0.44 5.15 -0.10 3.53 0.01 -0.19 -1.10 113.70 120.56 1swq s SER 112 Ca 0.08 0.00 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 1swq s SER 112 Cb -0.12 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.70 1swq s SER 112 CO 0.02 0.28 1.72 -0.83 0.41 0.00 0.00 173.24 174.85 1swq s GLY 113 N -1.53 1.37 0.21 3.44 0.00 -0.46 -4.85 107.32 105.49 1swq s GLY 113 Ca 0.19 0.85 0.04 0.00 0.00 0.00 0.00 44.72 45.81 1swq s GLY 113 CO 0.10 3.14 -0.05 -0.51 0.00 0.00 0.00 173.10 175.78 1swq s THR 114 N 4.71 1.19 0.79 0.90 -4.23 -1.26 -5.00 115.64 112.73 1swq s THR 114 Ca 0.77 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1swq s THR 114 Cb -0.32 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1swq s THR 114 CO 0.31 -0.48 1.16 0.42 -0.54 0.00 0.00 174.62 175.49 1swq s THR 115 N -3.32 2.35 0.31 3.99 -4.23 -1.26 -4.86 115.64 108.63 1swq s THR 115 Ca 0.24 0.11 0.19 0.00 -1.18 0.00 0.00 61.69 61.06 1swq s THR 115 Cb 0.04 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1swq s THR 115 CO 0.06 -0.15 1.87 -0.33 -0.54 0.00 0.00 174.62 175.53 1swq h GLU 116 N -0.97 0.00 0.00 3.99 4.39 -2.01 -0.99 114.58 118.98 1swq h GLU 116 Ca -0.46 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 1swq h GLU 116 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1swq h GLU 116 CO 0.65 0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 178.78 1swq h ALA 117 N 1.70 1.05 -0.14 3.43 0.00 -2.07 -2.20 119.26 121.03 1swq h ALA 117 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1swq h ALA 117 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1swq h ALA 117 CO 0.04 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1swq n ASN 118 N -3.18 2.33 0.25 0.00 3.02 -0.42 -4.65 115.26 112.61 1swq n ASN 118 Ca -0.01 -1.68 0.16 0.00 -0.03 0.00 0.00 54.58 53.02 1swq n ASN 118 Cb 0.20 -0.09 0.87 0.00 -0.61 0.00 0.00 39.78 40.15 1swq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swq h ALA 119 N 2.19 1.67 0.00 5.41 0.00 -0.94 -1.57 119.26 126.02 1swq h ALA 119 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1swq h ALA 119 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1swq h ALA 119 CO 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 1swq h ALA 120 N 1.87 0.86 -0.72 0.00 0.00 -1.82 -3.15 119.26 116.30 1swq h ALA 120 Ca 0.04 -0.43 -0.47 0.00 0.00 0.00 0.00 54.91 54.05 1swq h ALA 120 Cb 0.26 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 17.69 1swq h ALA 120 CO -0.00 0.58 -0.02 0.36 0.00 0.00 0.00 179.25 180.18 1swq n LYS 121 N -3.45 2.72 0.03 0.00 2.85 -0.59 -4.66 118.16 115.05 1swq n LYS 121 Ca 0.00 -3.55 0.11 0.00 -1.05 0.00 0.00 58.31 53.82 1swq n LYS 121 Cb 0.61 -2.14 0.02 0.00 -0.65 0.00 0.00 35.03 32.87 1swq n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swq n SER 122 N -0.92 0.61 -4.08 -5.58 3.41 -1.19 -4.92 113.62 100.95 1swq n SER 122 Ca 0.47 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 1swq n SER 122 Cb 0.94 0.80 -0.17 0.00 -0.26 0.00 0.00 64.21 65.53 1swq n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swq s THR 123 N -3.20 1.62 -0.00 6.66 2.01 -1.26 -1.02 115.64 120.45 1swq s THR 123 Ca 0.04 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1swq s THR 123 Cb 0.14 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1swq s THR 123 CO 0.80 0.46 0.31 -0.76 -0.69 0.00 0.00 174.62 174.75 1swq s LEU 124 N 0.95 4.40 -0.00 4.42 1.43 0.54 -4.92 118.68 125.50 1swq s LEU 124 Ca -0.07 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1swq s LEU 124 Cb -0.15 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1swq s LEU 124 CO -0.02 0.29 -0.25 0.54 0.23 0.00 0.00 176.35 177.14 1swq s VAL 125 N -1.20 2.16 0.01 -1.59 0.11 -1.26 -0.58 120.40 118.05 1swq s VAL 125 Ca 0.25 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1swq s VAL 125 Cb -0.14 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1swq s VAL 125 CO 0.13 0.52 0.04 0.61 -3.33 0.00 0.00 175.10 173.07 1swq n GLY 126 N 2.22 1.51 3.13 6.54 0.00 -0.83 -5.00 105.19 112.76 1swq n GLY 126 Ca -0.16 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1swq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swq s HIS 127 N -6.83 0.13 -0.05 1.61 -3.43 -1.26 -0.66 115.29 104.80 1swq s HIS 127 Ca 0.01 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 53.84 1swq s HIS 127 Cb -0.00 -0.10 0.01 0.00 -1.43 0.00 0.00 32.58 31.06 1swq s HIS 127 CO 0.00 -0.37 0.13 -0.51 -2.00 0.00 0.00 174.74 172.00 1swq s ASP 128 N -1.99 -0.12 -0.07 7.38 1.01 -0.71 -4.95 116.67 117.21 1swq s ASP 128 Ca -0.07 0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.45 1swq s ASP 128 Cb -0.02 0.27 -0.02 0.00 1.01 0.00 0.00 42.92 44.16 1swq s ASP 128 CO -0.03 -0.07 -0.16 -0.89 0.21 0.00 0.00 175.17 174.23 1swq s THR 129 N -0.05 2.90 -0.05 -1.27 2.01 -1.26 -0.47 115.64 117.45 1swq s THR 129 Ca -0.01 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1swq s THR 129 Cb -0.02 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1swq s THR 129 CO 0.00 0.57 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.95 1swq s PHE 130 N -0.33 2.57 0.22 4.92 0.40 0.44 -3.46 117.98 122.73 1swq s PHE 130 Ca 0.03 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1swq s PHE 130 Cb -0.13 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1swq s PHE 130 CO 0.02 0.04 0.08 0.95 0.70 0.00 0.00 175.22 177.02 1swq s THR 131 N -0.55 0.45 -2.32 0.64 -4.23 -0.32 -1.40 115.64 107.91 1swq s THR 131 Ca 0.08 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 1swq s THR 131 Cb -0.11 -2.47 0.45 0.00 1.34 0.00 0.00 72.50 71.71 1swq s THR 131 CO 0.01 -0.12 1.53 0.29 -0.54 0.00 0.00 174.62 175.78 1swq n LYS 132 N -0.36 1.82 0.00 3.99 5.02 -1.26 -0.39 118.16 126.98 1swq n LYS 132 Ca -0.01 -1.24 0.02 0.00 -2.02 0.00 0.00 58.31 55.06 1swq n LYS 132 Cb 0.65 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1swq n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16