#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swt h ILE 17 N 0.00 1.45 -3.19 -0.61 2.04 -1.97 -3.45 117.51 111.77 1swt h ILE 17 Ca 0.00 -2.84 -0.53 0.00 1.00 0.00 0.00 64.86 62.50 1swt h ILE 17 Cb 0.00 2.58 0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1swt h ILE 17 CO 0.00 0.78 0.80 -0.89 0.00 0.00 0.00 178.15 178.84 1swt s THR 18 N -2.98 2.66 -5.00 -0.27 2.01 -1.26 -4.82 115.64 105.98 1swt s THR 18 Ca 0.01 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1swt s THR 18 Cb 0.10 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1swt s THR 18 CO 0.79 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1swt n GLY 19 N 2.73 0.84 3.32 4.40 0.00 -0.79 -5.03 105.19 110.67 1swt n GLY 19 Ca 0.09 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1swt n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swt s THR 20 N -3.35 3.40 0.20 2.61 2.01 -1.26 -1.63 115.64 117.62 1swt s THR 20 Ca 0.00 -0.49 0.11 0.00 0.31 0.00 0.00 61.69 61.63 1swt s THR 20 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1swt s THR 20 CO 0.00 0.43 -0.23 0.26 -0.69 0.00 0.00 174.62 174.39 1swt s TRP 21 N 1.41 2.26 0.10 4.92 0.52 -0.53 -4.54 118.94 123.08 1swt s TRP 21 Ca 0.05 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1swt s TRP 21 Cb -0.14 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1swt s TRP 21 CO -0.03 0.52 -0.09 0.71 0.02 0.00 0.00 176.95 178.09 1swt s TYR 22 N -1.83 1.02 0.38 -1.98 1.51 0.04 -1.91 117.35 114.58 1swt s TYR 22 Ca 0.22 -0.74 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1swt s TYR 22 Cb -0.07 -0.56 -0.07 0.00 -0.11 0.00 0.00 41.96 41.15 1swt s TYR 22 CO 0.10 -0.04 -0.02 0.54 -1.11 0.00 0.00 175.55 175.02 1swt s ASN 23 N -2.69 3.75 0.59 2.29 2.20 -1.03 -1.12 114.94 118.93 1swt s ASN 23 Ca 0.08 -1.31 0.33 0.00 -0.94 0.00 0.00 52.86 51.02 1swt s ASN 23 Cb 0.00 -0.37 1.84 0.00 -2.00 0.00 0.00 41.25 40.73 1swt s ASN 23 CO -0.01 -0.38 2.22 0.06 -2.94 0.00 0.00 177.10 176.05 1swt h GLN 24 N 1.87 0.00 0.00 3.55 -0.00 -1.90 -0.44 115.11 118.20 1swt h GLN 24 Ca -0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.15 1swt h GLN 24 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.71 1swt h GLN 24 CO 0.77 0.03 -0.33 -0.07 -0.00 0.00 0.00 178.83 179.23 1swt h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.96 -3.47 115.31 113.32 1swt h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1swt h LEU 25 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1swt h LEU 25 CO 0.00 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1swt n GLY 26 N 1.16 1.01 3.80 0.83 0.00 -0.17 -4.83 105.19 106.99 1swt n GLY 26 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1swt n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swt s SER 27 N -2.01 6.03 0.02 1.61 0.01 -1.26 -4.51 113.70 113.59 1swt s SER 27 Ca 0.00 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.17 1swt s SER 27 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1swt s SER 27 CO 0.00 -1.00 -0.10 -0.89 0.41 0.00 0.00 173.24 171.66 1swt s THR 28 N -2.23 0.74 -0.05 1.44 2.01 -0.78 -2.45 115.64 114.31 1swt s THR 28 Ca 0.65 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1swt s THR 28 Cb -0.16 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.68 1swt s THR 28 CO 0.29 -0.03 0.14 0.72 -0.69 0.00 0.00 174.62 175.05 1swt s PHE 29 N -0.70 -0.15 -0.15 4.92 -0.12 -0.80 -1.05 117.98 119.92 1swt s PHE 29 Ca -0.01 0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 57.24 1swt s PHE 29 Cb -0.06 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1swt s PHE 29 CO 0.00 -0.08 -0.12 0.42 -0.05 0.00 0.00 175.22 175.39 1swt s ILE 30 N 0.19 2.98 0.09 -4.49 1.01 -0.92 -1.45 121.20 118.61 1swt s ILE 30 Ca -0.01 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1swt s ILE 30 Cb -0.02 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1swt s ILE 30 CO -0.00 0.51 -0.13 0.68 0.00 0.00 0.00 174.94 175.99 1swt s VAL 31 N 0.66 1.14 -0.15 2.92 -7.23 -0.64 -2.40 120.40 114.70 1swt s VAL 31 Ca -0.06 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1swt s VAL 31 Cb -0.15 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.57 1swt s VAL 31 CO 0.02 -0.33 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.39 1swt s THR 32 N -1.68 1.96 -0.37 5.32 2.01 -0.81 -1.89 115.64 120.18 1swt s THR 32 Ca 0.02 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 1swt s THR 32 Cb -0.08 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1swt s THR 32 CO 0.02 0.53 0.23 0.00 -0.69 0.00 0.00 174.62 174.71 1swt s ALA 33 N 0.99 3.36 0.39 7.40 0.00 -1.26 -2.65 121.76 129.99 1swt s ALA 33 Ca -0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 1swt s ALA 33 Cb -0.15 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1swt s ALA 33 CO -0.05 -1.29 0.69 0.20 0.00 0.00 0.00 175.76 175.31 1swt s GLY 34 N 1.62 1.69 0.50 0.00 0.00 0.25 -4.91 107.32 106.46 1swt s GLY 34 Ca 0.04 -0.49 0.27 0.00 0.00 0.00 0.00 44.72 44.54 1swt s GLY 34 CO 0.08 -0.35 1.88 0.00 0.00 0.00 0.00 173.10 174.71 1swt h ALA 35 N 0.95 2.62 -0.35 3.20 0.00 -1.99 0.34 119.26 124.03 1swt h ALA 35 Ca -0.48 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1swt h ALA 35 Cb 1.20 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1swt h ALA 35 CO 0.63 -0.89 0.14 -3.47 0.00 0.00 0.00 179.25 175.66 1swt n ASP 36 N -4.36 0.08 0.00 0.00 -0.08 -1.26 -4.92 116.55 106.01 1swt n ASP 36 Ca 0.19 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 54.06 1swt n ASP 36 Cb 0.87 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1swt n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1swt n GLY 37 N -1.11 0.56 3.84 0.27 0.00 0.12 -5.04 105.19 103.83 1swt n GLY 37 Ca 0.12 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1swt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swt s ALA 38 N -2.00 3.71 -0.15 4.61 0.00 -1.23 -2.01 121.76 124.69 1swt s ALA 38 Ca 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1swt s ALA 38 Cb 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1swt s ALA 38 CO 0.00 0.56 -0.19 -0.51 0.00 0.00 0.00 175.76 175.63 1swt s LEU 39 N -3.02 1.95 -0.04 0.00 1.02 -0.89 -0.59 118.68 117.11 1swt s LEU 39 Ca 0.32 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 53.89 1swt s LEU 39 Cb -0.11 -1.33 0.02 0.00 0.02 0.00 0.00 46.19 44.79 1swt s LEU 39 CO 0.25 0.02 0.10 -0.89 0.02 0.00 0.00 176.35 175.85 1swt s THR 40 N 1.11 -0.02 -1.53 5.49 2.01 -1.08 -0.93 115.64 120.68 1swt s THR 40 Ca -0.01 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1swt s THR 40 Cb -0.14 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.20 1swt s THR 40 CO -0.06 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1swt n GLY 41 N 3.54 -0.67 3.05 4.40 0.00 -0.84 -1.93 105.19 112.76 1swt n GLY 41 Ca -0.19 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1swt n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swt s THR 42 N -3.71 0.20 -0.03 2.61 -4.23 -1.01 -0.93 115.64 108.53 1swt s THR 42 Ca 0.00 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1swt s THR 42 Cb 0.00 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1swt s THR 42 CO 0.00 -0.81 -0.12 -0.47 -0.54 0.00 0.00 174.62 172.68 1swt s TYR 43 N -3.00 1.25 -0.15 3.99 6.14 -0.07 -2.17 117.35 123.34 1swt s TYR 43 Ca -0.01 -0.34 0.02 0.00 0.64 0.00 0.00 57.07 57.38 1swt s TYR 43 Cb 0.01 -0.87 0.01 0.00 0.42 0.00 0.00 41.96 41.53 1swt s TYR 43 CO -0.07 -0.13 -0.20 -2.00 0.64 0.00 0.00 175.55 173.79 1swt s GLU 44 N 0.16 3.04 -0.15 4.97 2.12 -0.22 -1.24 118.70 127.38 1swt s GLU 44 Ca -0.04 -0.83 -0.15 0.00 0.36 0.00 0.00 54.97 54.31 1swt s GLU 44 Cb -0.10 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1swt s GLU 44 CO 0.01 -0.06 0.36 0.45 -0.54 0.00 0.00 175.26 175.48 1swt s SER 45 N 0.93 6.50 0.05 -1.70 0.15 -1.26 -1.86 113.70 116.51 1swt s SER 45 Ca -0.04 0.59 0.28 0.00 0.70 0.00 0.00 55.95 57.49 1swt s SER 45 Cb -0.15 -2.22 1.12 0.00 -1.71 0.00 0.00 66.02 63.07 1swt s SER 45 CO -0.04 0.05 1.88 0.00 1.20 0.00 0.00 173.24 176.34 1swt n ALA 46 N 3.70 2.34 -2.22 5.45 0.00 -1.26 -4.77 120.51 123.74 1swt n ALA 46 Ca -0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1swt n ALA 46 Cb 0.52 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1swt n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swt s VAL 47 N -3.02 0.70 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.58 1swt s VAL 47 Ca 0.13 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1swt s VAL 47 Cb 0.17 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1swt s VAL 47 CO 0.55 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1swt n GLY 48 N -0.19 -3.44 3.16 2.32 0.00 -1.26 -4.60 105.19 101.17 1swt n GLY 48 Ca -0.08 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1swt n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swt n ASN 49 N -0.04 4.64 -3.70 1.61 4.05 -1.26 -4.84 115.26 115.73 1swt n ASN 49 Ca 0.00 -2.93 -0.14 0.00 0.45 0.00 0.00 54.58 51.96 1swt n ASN 49 Cb 0.00 -1.65 -0.09 0.00 1.23 0.00 0.00 39.78 39.27 1swt n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1swt s ALA 50 N 2.86 -1.20 -0.11 5.20 0.00 -1.26 -4.57 121.76 122.68 1swt s ALA 50 Ca 0.48 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 1swt s ALA 50 Cb 0.07 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1swt s ALA 50 CO -0.00 -0.25 0.26 -2.00 0.00 0.00 0.00 175.76 173.77 1swt s GLU 51 N -0.07 0.20 1.75 0.00 2.12 -1.26 -4.91 118.70 116.53 1swt s GLU 51 Ca -0.03 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.88 1swt s GLU 51 Cb -0.03 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1swt s GLU 51 CO 0.02 -0.18 0.00 0.45 -0.54 0.00 0.00 175.26 175.01 1swt n SER 52 N 4.42 -1.71 -4.88 -1.70 2.88 -1.26 -4.88 113.62 106.50 1swt n SER 52 Ca -0.22 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 56.99 1swt n SER 52 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1swt n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swt s ARG 53 N 0.00 3.74 0.07 -1.46 0.52 -1.26 -4.36 118.95 116.19 1swt s ARG 53 Ca 0.00 0.13 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1swt s ARG 53 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 1swt s ARG 53 CO 0.00 0.50 -0.17 0.71 0.02 0.00 0.00 175.30 176.36 1swt s TYR 54 N -1.53 1.45 0.19 -0.53 1.51 -0.37 -4.92 117.35 113.15 1swt s TYR 54 Ca 0.37 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1swt s TYR 54 Cb -0.13 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 40.81 1swt s TYR 54 CO 0.20 0.09 1.05 0.08 -1.11 0.00 0.00 175.55 175.86 1swt s VAL 55 N -1.06 3.96 0.08 0.71 1.01 -1.26 -0.89 120.40 122.96 1swt s VAL 55 Ca 0.02 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1swt s VAL 55 Cb -0.09 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1swt s VAL 55 CO 0.02 0.34 -0.18 -1.48 0.00 0.00 0.00 175.10 173.80 1swt s LEU 56 N -0.60 2.28 -0.00 3.92 0.05 -0.11 -4.40 118.68 119.82 1swt s LEU 56 Ca 0.47 -0.64 -0.15 0.00 0.05 0.00 0.00 54.13 53.85 1swt s LEU 56 Cb -0.28 -0.71 0.02 0.00 -2.05 0.00 0.00 46.19 43.18 1swt s LEU 56 CO 0.34 -0.00 0.32 0.28 -0.55 0.00 0.00 176.35 176.74 1swt s THR 57 N -1.19 0.06 0.00 5.48 -1.32 -1.18 -1.98 115.64 115.52 1swt s THR 57 Ca 0.02 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1swt s THR 57 Cb -0.10 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1swt s THR 57 CO 0.03 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1swt n GLY 58 N 1.09 1.55 3.10 6.08 0.00 -0.11 -1.18 105.19 115.73 1swt n GLY 58 Ca -0.21 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1swt n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swt s ARG 59 N -1.55 0.65 0.12 1.61 1.81 -0.92 -2.10 118.95 118.58 1swt s ARG 59 Ca 0.00 -1.25 -0.10 0.00 -1.72 0.00 0.00 55.73 52.66 1swt s ARG 59 Cb 0.00 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 1swt s ARG 59 CO 0.00 -0.12 0.27 1.52 -0.68 0.00 0.00 175.30 176.29 1swt s TYR 60 N -3.91 0.18 -0.50 -0.53 1.13 -0.85 -2.26 117.35 110.60 1swt s TYR 60 Ca 0.09 -0.57 -0.29 0.00 -1.41 0.00 0.00 57.07 54.89 1swt s TYR 60 Cb 0.08 0.00 0.02 0.00 -1.10 0.00 0.00 41.96 40.97 1swt s TYR 60 CO -0.09 -0.64 1.23 0.34 -2.51 0.00 0.00 175.55 173.88 1swt s ASP 61 N -2.89 6.48 0.00 -0.18 2.15 -0.42 -4.72 116.67 117.09 1swt s ASP 61 Ca 0.09 0.42 0.30 0.00 0.43 0.00 0.00 52.55 53.79 1swt s ASP 61 Cb 0.04 -2.55 1.39 0.00 -0.30 0.00 0.00 42.92 41.50 1swt s ASP 61 CO -0.07 -1.39 1.94 -1.54 -0.17 0.00 0.00 175.17 173.94 1swt n SER 62 N 8.34 0.88 -3.11 -0.34 3.41 -1.26 -4.10 113.62 117.44 1swt n SER 62 Ca 0.12 -1.28 -0.21 0.00 -0.26 0.00 0.00 58.87 57.24 1swt n SER 62 Cb 0.49 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1swt n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swt n ALA 63 N -0.32 2.95 -0.84 7.33 0.00 -1.26 -5.09 120.51 123.28 1swt n ALA 63 Ca 0.21 -3.86 -0.31 0.00 0.00 0.00 0.00 53.44 49.47 1swt n ALA 63 Cb 0.26 -0.86 0.15 0.00 0.00 0.00 0.00 19.45 19.00 1swt n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swt s PRO 64 N -2.72 1.33 1.06 0.00 0.04 -1.26 -4.98 135.00 128.47 1swt s PRO 64 Ca 0.43 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1swt s PRO 64 Cb 0.31 -1.77 0.23 0.00 0.04 0.00 0.00 34.50 33.31 1swt s PRO 64 CO -0.10 -2.39 1.06 0.00 0.04 0.00 0.00 177.00 175.62 1swt s ALA 65 N -2.71 0.32 -0.18 8.56 0.00 -1.26 -4.97 121.76 121.52 1swt s ALA 65 Ca 0.65 -0.04 0.22 0.00 0.00 0.00 0.00 51.96 52.79 1swt s ALA 65 Cb -0.21 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 19.44 1swt s ALA 65 CO 0.57 -3.32 0.69 0.25 0.00 0.00 0.00 175.76 173.96 1swt n THR 66 N -4.56 0.18 0.00 0.00 -2.24 -1.26 -4.59 114.28 101.81 1swt n THR 66 Ca 0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1swt n THR 66 Cb 0.54 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1swt n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swt n ASP 67 N -2.31 0.00 0.00 3.42 5.68 -1.26 -4.71 116.55 117.37 1swt n ASP 67 Ca -0.02 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1swt n ASP 67 Cb 0.54 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1swt n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swt n GLY 68 N -1.05 0.83 3.91 6.12 0.00 -1.26 -5.08 105.19 108.67 1swt n GLY 68 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1swt n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1swt s SER 69 N -2.03 5.45 0.88 1.61 1.04 -1.26 -5.08 113.70 114.30 1swt s SER 69 Ca 0.00 0.78 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1swt s SER 69 Cb 0.00 -1.68 0.09 0.00 0.10 0.00 0.00 66.02 64.53 1swt s SER 69 CO 0.00 -1.20 0.55 0.61 0.98 0.00 0.00 173.24 174.17 1swt n GLY 70 N -2.73 -0.77 3.38 7.32 0.00 -1.26 -4.90 105.19 106.23 1swt n GLY 70 Ca 0.05 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 1swt n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swt s THR 71 N -2.01 4.10 0.32 2.61 2.01 -0.70 -4.82 115.64 117.15 1swt s THR 71 Ca 0.32 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 1swt s THR 71 Cb -0.01 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1swt s THR 71 CO 0.22 0.15 1.11 0.00 -0.69 0.00 0.00 174.62 175.41 1swt s ALA 72 N 1.54 3.31 0.20 7.40 0.00 -1.26 -0.64 121.76 132.31 1swt s ALA 72 Ca 0.04 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 1swt s ALA 72 Cb -0.17 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1swt s ALA 72 CO 0.03 -0.25 0.91 -0.48 0.00 0.00 0.00 175.76 175.97 1swt s LEU 73 N -1.85 -0.16 -0.02 0.00 0.05 -0.92 -1.30 118.68 114.48 1swt s LEU 73 Ca 0.49 -0.53 -0.29 0.00 0.05 0.00 0.00 54.13 53.85 1swt s LEU 73 Cb -0.30 2.32 0.10 0.00 -2.05 0.00 0.00 46.19 46.26 1swt s LEU 73 CO 0.39 -1.06 0.88 -0.83 -0.55 0.00 0.00 176.35 175.18 1swt s GLY 74 N -3.00 -0.45 0.12 -3.48 0.00 -0.96 -2.28 107.32 97.27 1swt s GLY 74 Ca 0.13 1.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.77 1swt s GLY 74 CO 0.04 0.42 0.48 0.66 0.00 0.00 0.00 173.10 174.69 1swt s TRP 75 N -2.89 -0.33 0.10 1.90 -2.14 -0.71 -2.16 118.94 112.71 1swt s TRP 75 Ca 0.04 0.11 0.09 0.00 2.66 0.00 0.00 56.10 59.00 1swt s TRP 75 Cb -0.01 0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 30.68 1swt s TRP 75 CO -0.08 -0.73 -0.24 0.99 -2.66 0.00 0.00 176.95 174.23 1swt s THR 76 N -3.55 1.96 -0.04 0.66 2.01 -0.32 -1.24 115.64 115.12 1swt s THR 76 Ca 0.01 -1.57 -0.00 0.00 0.31 0.00 0.00 61.69 60.44 1swt s THR 76 Cb 0.01 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1swt s THR 76 CO -0.10 0.08 0.01 -0.69 -0.69 0.00 0.00 174.62 173.22 1swt s VAL 77 N -1.04 0.18 -0.20 3.82 1.01 -0.19 -3.07 120.40 120.91 1swt s VAL 77 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1swt s VAL 77 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1swt s VAL 77 CO 0.04 0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.44 1swt s ALA 78 N 1.48 3.60 -1.33 5.51 0.00 -1.26 -1.30 121.76 128.46 1swt s ALA 78 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1swt s ALA 78 Cb -0.13 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1swt s ALA 78 CO -0.03 0.13 2.82 0.91 0.00 0.00 0.00 175.76 179.59 1swt n TRP 79 N 3.61 2.23 -3.92 0.00 7.02 -0.49 -4.78 117.44 121.11 1swt n TRP 79 Ca -0.16 -2.81 -0.23 0.00 -1.02 0.00 0.00 57.50 53.28 1swt n TRP 79 Cb 0.52 -2.14 -0.17 0.00 -2.42 0.00 0.00 31.31 27.10 1swt n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swt s LYS 80 N 0.75 0.85 0.00 -0.99 2.20 -1.26 -0.79 119.74 120.50 1swt s LYS 80 Ca 0.64 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1swt s LYS 80 Cb 0.20 -1.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 1swt s LYS 80 CO -0.08 -0.23 0.00 0.27 -0.36 0.00 0.00 175.35 174.96 1swt n ASN 81 N 4.78 0.09 0.00 1.43 0.23 -0.68 -4.88 115.26 116.23 1swt n ASN 81 Ca -0.13 -0.41 0.13 0.00 -0.53 0.00 0.00 54.58 53.64 1swt n ASN 81 Cb 0.50 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.83 1swt n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swt n ASN 82 N -1.18 0.00 -0.07 0.53 3.02 -1.26 -3.73 115.26 112.58 1swt n ASN 82 Ca 0.00 0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1swt n ASN 82 Cb 0.00 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 1swt n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swt n TYR 83 N -1.36 0.00 -3.51 3.10 0.53 -1.26 -5.07 117.16 109.59 1swt n TYR 83 Ca 0.10 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.83 1swt n TYR 83 Cb 0.24 -0.66 -0.05 0.00 -1.03 0.00 0.00 39.34 37.84 1swt n TYR 83 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 1swt s ARG 84 N -2.33 1.11 -0.15 -0.72 3.52 -1.24 -5.10 118.95 114.04 1swt s ARG 84 Ca -0.07 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 1swt s ARG 84 Cb 0.04 0.52 0.05 0.00 -1.56 0.00 0.00 34.95 34.00 1swt s ARG 84 CO 0.54 -0.40 0.05 1.21 -0.81 0.00 0.00 175.30 175.89 1swt s ASN 85 N -1.78 2.37 0.00 -2.12 2.47 -1.26 -1.68 114.94 112.94 1swt s ASN 85 Ca -0.07 -0.56 0.27 0.00 0.42 0.00 0.00 52.86 52.93 1swt s ASN 85 Cb -0.01 -0.43 0.95 0.00 -1.45 0.00 0.00 41.25 40.32 1swt s ASN 85 CO 0.01 -0.30 1.70 0.00 -3.72 0.00 0.00 177.10 174.79 1swt n ALA 86 N 5.16 2.96 -3.59 1.71 0.00 0.03 -4.96 120.51 121.81 1swt n ALA 86 Ca -0.08 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1swt n ALA 86 Cb 0.48 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.73 1swt n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swt n HIS 87 N -1.06 -2.03 -3.61 0.00 8.25 -1.26 -4.91 115.22 110.59 1swt n HIS 87 Ca 0.11 0.75 -0.09 0.00 -0.26 0.00 0.00 57.72 58.23 1swt n HIS 87 Cb 0.31 -4.12 -0.02 0.00 1.12 0.00 0.00 29.99 27.28 1swt n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swt s SER 88 N -3.94 -0.40 -0.13 0.41 1.04 -1.26 -2.22 113.70 107.19 1swt s SER 88 Ca 0.21 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.25 1swt s SER 88 Cb -0.06 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1swt s SER 88 CO 0.81 -1.05 0.41 0.00 0.98 0.00 0.00 173.24 174.39 1swt s ALA 89 N -3.68 -1.02 -0.01 5.32 0.00 -0.96 -1.39 121.76 120.01 1swt s ALA 89 Ca 0.06 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1swt s ALA 89 Cb -0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1swt s ALA 89 CO -0.04 -0.21 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 1swt s THR 90 N -0.06 2.77 0.02 0.00 2.01 -0.42 -1.94 115.64 118.02 1swt s THR 90 Ca -0.02 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1swt s THR 90 Cb -0.03 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1swt s THR 90 CO 0.01 0.49 -0.24 0.42 -0.69 0.00 0.00 174.62 174.61 1swt s THR 91 N -0.79 1.96 -0.10 -0.82 -4.23 -0.63 -1.02 115.64 110.01 1swt s THR 91 Ca 0.12 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1swt s THR 91 Cb -0.10 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1swt s THR 91 CO 0.02 0.40 -0.18 0.26 -0.54 0.00 0.00 174.62 174.58 1swt s TRP 92 N -0.71 2.68 -0.07 3.99 0.51 -0.38 -2.52 118.94 122.44 1swt s TRP 92 Ca 0.10 -0.71 0.03 0.00 -2.12 0.00 0.00 56.10 53.40 1swt s TRP 92 Cb -0.09 -1.75 0.00 0.00 -0.81 0.00 0.00 33.47 30.82 1swt s TRP 92 CO 0.01 -0.22 -0.17 0.45 -0.51 0.00 0.00 176.95 176.50 1swt s SER 93 N 0.16 2.28 0.00 2.95 0.15 -0.68 -1.74 113.70 116.82 1swt s SER 93 Ca -0.10 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1swt s SER 93 Cb -0.16 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1swt s SER 93 CO 0.06 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1swt n GLY 94 N 3.49 1.01 3.30 9.45 0.00 -0.97 -0.44 105.19 121.03 1swt n GLY 94 Ca -0.20 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1swt n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swt s GLN 95 N 1.61 0.71 -0.12 1.61 -2.07 -0.46 -2.15 119.66 118.78 1swt s GLN 95 Ca 0.00 -0.02 -0.19 0.00 -1.82 0.00 0.00 55.36 53.33 1swt s GLN 95 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 1swt s GLN 95 CO 0.00 -0.19 0.52 -0.47 -1.32 0.00 0.00 175.29 173.82 1swt s TYR 96 N -1.11 3.51 -0.20 9.60 5.04 0.18 -1.34 117.35 133.03 1swt s TYR 96 Ca -0.11 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 1swt s TYR 96 Cb -0.04 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.70 1swt s TYR 96 CO 0.05 0.12 -0.17 0.08 -1.34 0.00 0.00 175.55 174.30 1swt s VAL 97 N 0.77 2.03 0.87 3.14 1.01 0.42 -1.72 120.40 126.91 1swt s VAL 97 Ca 0.27 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1swt s VAL 97 Cb -0.15 -1.94 0.15 0.00 0.00 0.00 0.00 36.38 34.43 1swt s VAL 97 CO 0.11 0.36 1.21 -0.83 0.00 0.00 0.00 175.10 175.95 1swt s GLY 98 N 1.26 1.72 0.00 4.51 0.00 -1.26 -1.49 107.32 112.06 1swt s GLY 98 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1swt s GLY 98 CO -0.10 -0.46 0.00 0.61 0.00 0.00 0.00 173.10 173.15 1swt n GLY 99 N -3.45 0.68 0.30 0.20 0.00 -1.26 -4.65 105.19 97.01 1swt n GLY 99 Ca 0.13 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 44.21 1swt n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swt h ALA 100 N 0.00 1.15 -2.22 4.61 0.00 -2.07 -3.22 119.26 117.52 1swt h ALA 100 Ca 0.00 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.30 1swt h ALA 100 Cb 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1swt h ALA 100 CO 0.00 0.04 -0.93 -1.91 0.00 0.00 0.00 179.25 176.45 1swt n GLU 101 N -3.34 1.07 -2.14 0.00 4.07 -1.26 -5.10 120.64 113.93 1swt n GLU 101 Ca -0.02 -3.62 -0.37 0.00 -0.06 0.00 0.00 57.16 53.08 1swt n GLU 101 Cb 0.15 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 1swt n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swt s ALA 102 N -1.20 2.94 0.14 4.31 0.00 -1.22 -4.92 121.76 121.81 1swt s ALA 102 Ca 0.35 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 1swt s ALA 102 Cb 0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1swt s ALA 102 CO -0.12 -0.83 0.25 -0.98 0.00 0.00 0.00 175.76 174.08 1swt s ARG 103 N -2.75 1.06 -0.12 0.00 1.04 -0.56 -3.95 118.95 113.67 1swt s ARG 103 Ca 0.66 -1.13 0.01 0.00 -1.04 0.00 0.00 55.73 54.22 1swt s ARG 103 Cb -0.31 0.36 0.02 0.00 -2.04 0.00 0.00 34.95 32.97 1swt s ARG 103 CO 0.38 -0.37 -0.14 0.42 -0.04 0.00 0.00 175.30 175.55 1swt s ILE 104 N -3.94 1.43 -0.19 4.99 1.01 -1.05 -0.44 121.20 123.02 1swt s ILE 104 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1swt s ILE 104 Cb 0.04 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1swt s ILE 104 CO -0.03 0.43 0.03 0.20 0.00 0.00 0.00 174.94 175.57 1swt s ASN 105 N 1.25 5.22 0.17 3.58 0.01 -0.45 -1.90 114.94 122.81 1swt s ASN 105 Ca -0.01 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1swt s ASN 105 Cb -0.14 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 1swt s ASN 105 CO -0.05 0.13 0.05 0.42 -1.51 0.00 0.00 177.10 176.13 1swt s THR 106 N 0.63 0.36 0.09 1.60 -4.23 -0.63 -1.36 115.64 112.10 1swt s THR 106 Ca 0.01 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1swt s THR 106 Cb -0.14 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1swt s THR 106 CO 0.02 -0.37 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.41 1swt s GLN 107 N -4.01 1.20 0.08 3.99 -0.21 0.42 -1.21 119.66 119.91 1swt s GLN 107 Ca 0.27 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.56 1swt s GLN 107 Cb 0.07 -1.46 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 1swt s GLN 107 CO 0.05 0.35 -0.12 1.67 -2.12 0.00 0.00 175.29 175.11 1swt s TRP 108 N -1.08 1.11 -0.09 0.91 1.48 0.65 -1.69 118.94 120.22 1swt s TRP 108 Ca 0.07 -0.53 0.03 0.00 -1.06 0.00 0.00 56.10 54.61 1swt s TRP 108 Cb -0.10 -0.62 0.01 0.00 -1.16 0.00 0.00 33.47 31.60 1swt s TRP 108 CO 0.04 0.03 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.26 1swt s LEU 109 N -1.99 1.91 -0.17 -4.66 1.43 -1.05 -1.89 118.68 112.26 1swt s LEU 109 Ca 0.00 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1swt s LEU 109 Cb -0.07 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1swt s LEU 109 CO 0.01 0.10 -0.17 -0.22 0.23 0.00 0.00 176.35 176.30 1swt s LEU 110 N 0.53 2.04 -0.08 1.79 2.96 -0.05 -1.61 118.68 124.25 1swt s LEU 110 Ca -0.16 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1swt s LEU 110 Cb -0.17 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1swt s LEU 110 CO 0.06 -0.03 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.09 1swt s THR 111 N 1.35 3.66 0.10 3.68 2.01 -0.82 -0.92 115.64 124.70 1swt s THR 111 Ca 0.04 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.64 1swt s THR 111 Cb -0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1swt s THR 111 CO -0.12 0.58 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.76 1swt s SER 112 N -0.59 3.76 0.39 3.53 0.01 -0.38 -2.26 113.70 118.15 1swt s SER 112 Ca 0.09 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1swt s SER 112 Cb -0.12 -0.51 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 1swt s SER 112 CO 0.02 0.20 1.22 -0.83 0.41 0.00 0.00 173.24 174.26 1swt s GLY 113 N -1.92 2.91 0.17 3.44 0.00 -0.94 -4.82 107.32 106.16 1swt s GLY 113 Ca 0.16 1.07 -0.11 0.00 0.00 0.00 0.00 44.72 45.85 1swt s GLY 113 CO 0.08 1.63 0.34 -0.51 0.00 0.00 0.00 173.10 174.63 1swt s THR 114 N -1.32 0.06 0.75 0.90 -4.23 -1.26 -5.04 115.64 105.50 1swt s THR 114 Ca 0.55 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.68 1swt s THR 114 Cb -0.34 -1.80 0.04 0.00 1.34 0.00 0.00 72.50 71.74 1swt s THR 114 CO 0.43 -0.25 1.10 0.42 -0.54 0.00 0.00 174.62 175.78 1swt s THR 115 N -3.95 3.17 0.43 3.99 -4.23 -1.26 -4.92 115.64 108.87 1swt s THR 115 Ca 0.16 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.16 1swt s THR 115 Cb 0.02 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.89 1swt s THR 115 CO -0.00 -0.50 2.03 -0.33 -0.54 0.00 0.00 174.62 175.28 1swt h GLU 116 N -0.88 0.42 -0.44 3.99 3.07 -2.02 -1.94 114.58 116.78 1swt h GLU 116 Ca -0.46 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 1swt h GLU 116 Cb 1.27 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1swt h GLU 116 CO 0.62 0.28 0.01 0.00 -1.40 0.00 0.00 179.01 178.52 1swt h ALA 117 N 1.75 1.19 -0.60 3.43 0.00 -2.07 -3.17 119.26 119.79 1swt h ALA 117 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1swt h ALA 117 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1swt h ALA 117 CO -0.05 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.82 1swt n ASN 118 N -4.24 3.79 0.24 0.00 3.02 -0.77 -4.57 115.26 112.73 1swt n ASN 118 Ca 0.02 -2.00 0.08 0.00 -0.03 0.00 0.00 54.58 52.65 1swt n ASN 118 Cb 0.28 -0.39 0.59 0.00 -0.61 0.00 0.00 39.78 39.64 1swt n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swt h ALA 119 N 4.44 1.66 -0.02 5.41 0.00 -1.43 -1.84 119.26 127.48 1swt h ALA 119 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1swt h ALA 119 Cb 1.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1swt h ALA 119 CO 0.00 0.17 0.05 0.11 0.00 0.00 0.00 179.25 179.57 1swt h TRP 120 N 0.00 0.00 -1.24 0.00 5.08 -1.84 -2.29 115.95 115.66 1swt h TRP 120 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.36 1swt h TRP 120 Cb 0.25 0.00 -0.39 0.00 -3.00 0.00 0.00 29.16 26.02 1swt h TRP 120 CO 0.00 0.00 -0.39 0.36 -1.28 0.00 0.00 178.44 177.13 1swt n LYS 121 N -3.46 3.35 0.03 0.12 2.85 -0.69 -4.77 118.16 115.59 1swt n LYS 121 Ca -0.02 -4.15 0.12 0.00 -1.05 0.00 0.00 58.31 53.20 1swt n LYS 121 Cb 0.13 -2.27 0.10 0.00 -0.65 0.00 0.00 35.03 32.33 1swt n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swt n SER 122 N -0.62 0.63 -3.90 -5.58 3.41 -0.86 -4.95 113.62 101.75 1swt n SER 122 Ca 0.45 -0.16 -0.24 0.00 -0.26 0.00 0.00 58.87 58.66 1swt n SER 122 Cb 0.72 0.54 -0.17 0.00 -0.26 0.00 0.00 64.21 65.05 1swt n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swt s THR 123 N -3.15 0.78 0.15 6.66 2.01 -1.26 -1.25 115.64 119.58 1swt s THR 123 Ca 0.06 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1swt s THR 123 Cb 0.15 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1swt s THR 123 CO 0.77 0.30 0.34 -0.76 -0.69 0.00 0.00 174.62 174.58 1swt s LEU 124 N 1.33 4.28 -0.02 4.42 1.43 -0.10 -4.94 118.68 125.08 1swt s LEU 124 Ca -0.03 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1swt s LEU 124 Cb -0.14 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1swt s LEU 124 CO -0.03 0.04 0.03 0.54 0.23 0.00 0.00 176.35 177.17 1swt s VAL 125 N -1.71 -0.02 0.02 -1.59 0.11 -1.26 -0.87 120.40 115.08 1swt s VAL 125 Ca 0.38 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1swt s VAL 125 Cb -0.12 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1swt s VAL 125 CO 0.27 0.03 0.04 0.61 -3.33 0.00 0.00 175.10 172.73 1swt n GLY 126 N 3.47 1.92 3.13 6.54 0.00 -0.79 -5.00 105.19 114.45 1swt n GLY 126 Ca -0.18 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1swt n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swt s HIS 127 N -8.55 0.34 -0.14 1.61 -3.43 -1.26 -0.25 115.29 103.61 1swt s HIS 127 Ca 0.01 -0.81 -0.18 0.00 -0.80 0.00 0.00 55.06 53.28 1swt s HIS 127 Cb -0.00 -0.24 0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1swt s HIS 127 CO 0.01 -0.43 0.47 0.00 -2.00 0.00 0.00 174.74 172.78 1swt s ALA 128 N -3.69 -1.17 -0.16 -1.38 0.00 -0.35 -4.94 121.76 110.07 1swt s ALA 128 Ca 0.04 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1swt s ALA 128 Cb 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1swt s ALA 128 CO -0.10 -0.25 -0.05 0.99 0.00 0.00 0.00 175.76 176.36 1swt s THR 129 N -0.17 3.78 0.09 0.00 2.01 -1.26 -1.60 115.64 118.50 1swt s THR 129 Ca -0.04 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1swt s THR 129 Cb -0.03 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1swt s THR 129 CO 0.02 0.49 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.04 1swt s PHE 130 N 0.44 2.88 0.11 4.92 0.08 -0.80 -4.38 117.98 121.24 1swt s PHE 130 Ca -0.04 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 56.96 1swt s PHE 130 Cb -0.14 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1swt s PHE 130 CO 0.03 0.45 -0.08 0.95 -0.10 0.00 0.00 175.22 176.47 1swt s THR 131 N -1.25 0.89 -2.82 0.64 -4.23 -0.28 -2.52 115.64 106.06 1swt s THR 131 Ca 0.23 -1.89 0.25 0.00 -1.18 0.00 0.00 61.69 59.11 1swt s THR 131 Cb -0.11 -1.64 0.32 0.00 1.34 0.00 0.00 72.50 72.40 1swt s THR 131 CO 0.16 -0.76 1.43 1.17 -0.54 0.00 0.00 174.62 176.08