#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swr h ILE 17 N 0.00 1.43 -3.87 -0.61 2.04 -1.97 -3.46 117.51 111.07 1swr h ILE 17 Ca 0.00 -3.00 -0.55 0.00 1.00 0.00 0.00 64.86 62.31 1swr h ILE 17 Cb 0.00 2.92 0.12 0.00 -0.74 0.00 0.00 36.82 39.12 1swr h ILE 17 CO 0.00 0.88 0.70 0.41 0.00 0.00 0.00 178.15 180.14 1swr n THR 18 N -3.53 2.41 0.00 -0.27 -1.04 -1.26 -4.81 114.28 105.79 1swr n THR 18 Ca -0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1swr n THR 18 Cb 1.03 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1swr n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swr n GLY 19 N 0.56 0.89 3.51 3.41 0.00 -0.06 -4.99 105.19 108.51 1swr n GLY 19 Ca 0.04 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1swr n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swr s THR 20 N -1.75 4.83 0.18 2.61 2.01 -1.26 -1.11 115.64 121.15 1swr s THR 20 Ca 0.00 -0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.03 1swr s THR 20 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1swr s THR 20 CO 0.00 0.23 -0.20 0.26 -0.69 0.00 0.00 174.62 174.22 1swr s TRP 21 N 1.68 2.40 0.03 4.92 0.52 0.09 -4.58 118.94 124.00 1swr s TRP 21 Ca 0.06 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1swr s TRP 21 Cb -0.16 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1swr s TRP 21 CO 0.08 0.49 -0.16 0.71 0.02 0.00 0.00 176.95 178.09 1swr s TYR 22 N -1.61 1.36 0.58 -1.98 1.51 0.20 -0.89 117.35 116.51 1swr s TYR 22 Ca 0.21 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 1swr s TYR 22 Cb -0.08 -0.82 0.08 0.00 -0.11 0.00 0.00 41.96 41.04 1swr s TYR 22 CO 0.11 0.04 0.80 0.54 -1.11 0.00 0.00 175.55 175.93 1swr s ASN 23 N -1.06 5.05 0.44 2.29 2.20 -1.04 -0.46 114.94 122.37 1swr s ASN 23 Ca 0.03 -0.73 0.30 0.00 -0.94 0.00 0.00 52.86 51.53 1swr s ASN 23 Cb -0.08 0.14 1.55 0.00 -2.00 0.00 0.00 41.25 40.86 1swr s ASN 23 CO 0.01 -1.36 1.91 0.06 -2.94 0.00 0.00 177.10 174.79 1swr h GLN 24 N 0.12 0.00 0.00 3.55 -0.00 -1.89 0.33 115.11 117.22 1swr h GLN 24 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1swr h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swr h GLN 24 CO 0.41 0.00 -0.32 1.28 -0.00 0.00 0.00 178.83 180.20 1swr n LEU 25 N -2.57 0.41 0.00 0.06 4.77 -1.26 -4.92 117.00 113.48 1swr n LEU 25 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1swr n LEU 25 Cb 0.09 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1swr n LEU 25 CO 0.15 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1swr n GLY 26 N 1.45 0.51 3.79 -0.72 0.00 0.12 -4.71 105.19 105.62 1swr n GLY 26 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1swr n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swr s SER 27 N -2.52 5.17 -0.17 1.61 0.01 -1.26 -4.68 113.70 111.87 1swr s SER 27 Ca 0.00 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1swr s SER 27 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1swr s SER 27 CO 0.00 -1.58 -0.16 -0.89 0.41 0.00 0.00 173.24 171.02 1swr s THR 28 N -2.66 2.51 -0.39 1.44 2.01 -0.10 -2.50 115.64 115.95 1swr s THR 28 Ca 0.63 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1swr s THR 28 Cb -0.17 -2.07 0.11 0.00 0.01 0.00 0.00 72.50 70.38 1swr s THR 28 CO 0.47 0.51 0.13 0.12 -0.69 0.00 0.00 174.62 175.17 1swr s PHE 29 N 1.05 3.64 -0.35 4.92 5.36 -0.07 -0.86 117.98 131.66 1swr s PHE 29 Ca -0.01 -2.84 -0.12 0.00 -0.96 0.00 0.00 56.93 53.00 1swr s PHE 29 Cb -0.15 -3.02 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 1swr s PHE 29 CO -0.05 -0.93 0.22 0.42 -1.46 0.00 0.00 175.22 173.42 1swr s ILE 30 N 0.81 4.86 0.07 3.12 1.01 -0.79 -0.74 121.20 129.55 1swr s ILE 30 Ca 0.11 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1swr s ILE 30 Cb -0.21 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1swr s ILE 30 CO -0.06 -0.11 -0.11 0.54 0.00 0.00 0.00 174.94 175.20 1swr s VAL 31 N 1.63 0.92 -0.13 2.92 0.11 -0.27 -1.88 120.40 123.71 1swr s VAL 31 Ca 0.04 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1swr s VAL 31 Cb -0.18 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1swr s VAL 31 CO 0.08 -0.38 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.45 1swr s THR 32 N -1.73 1.42 -0.41 5.04 2.01 0.27 -0.88 115.64 121.35 1swr s THR 32 Ca -0.01 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 1swr s THR 32 Cb -0.07 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1swr s THR 32 CO 0.01 0.43 0.43 0.00 -0.69 0.00 0.00 174.62 174.81 1swr s ALA 33 N 1.41 3.43 0.72 7.40 0.00 -1.26 -1.32 121.76 132.13 1swr s ALA 33 Ca 0.02 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1swr s ALA 33 Cb -0.13 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1swr s ALA 33 CO -0.08 -1.54 1.04 0.20 0.00 0.00 0.00 175.76 175.38 1swr s GLY 34 N 1.80 1.67 0.11 0.00 0.00 0.69 -4.90 107.32 106.69 1swr s GLY 34 Ca 0.12 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.72 1swr s GLY 34 CO 0.13 -0.44 1.64 0.00 0.00 0.00 0.00 173.10 174.43 1swr h ALA 35 N -0.65 -0.39 0.00 3.20 0.00 -1.98 -2.57 119.26 116.88 1swr h ALA 35 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1swr h ALA 35 Cb 1.31 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1swr h ALA 35 CO 0.61 -0.77 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 1swr n ASP 36 N -5.36 0.00 0.00 0.00 5.75 -1.26 -4.72 116.55 110.96 1swr n ASP 36 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1swr n ASP 36 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1swr n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swr n GLY 37 N -0.32 0.91 3.85 6.12 0.00 -0.97 -4.97 105.19 109.81 1swr n GLY 37 Ca 0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1swr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swr s ALA 38 N -2.00 3.29 -0.10 4.61 0.00 -1.23 -1.49 121.76 124.84 1swr s ALA 38 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1swr s ALA 38 Cb 0.00 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1swr s ALA 38 CO 0.00 0.24 -0.14 -0.51 0.00 0.00 0.00 175.76 175.35 1swr s LEU 39 N -3.17 1.68 0.06 0.00 1.02 -0.01 -0.22 118.68 118.04 1swr s LEU 39 Ca 0.55 -0.39 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 1swr s LEU 39 Cb -0.10 -1.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.07 1swr s LEU 39 CO 0.19 0.02 0.03 0.42 0.02 0.00 0.00 176.35 177.04 1swr s THR 40 N 0.90 0.19 -4.84 5.49 -4.23 -0.43 -1.49 115.64 111.23 1swr s THR 40 Ca -0.09 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1swr s THR 40 Cb -0.15 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1swr s THR 40 CO 0.00 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 1swr n GLY 41 N 0.18 -0.50 3.02 3.99 0.00 -1.20 -0.57 105.19 110.12 1swr n GLY 41 Ca -0.15 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1swr n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swr s THR 42 N -3.74 -0.01 -0.02 2.61 -1.32 -0.79 -1.86 115.64 110.52 1swr s THR 42 Ca 0.00 0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 1swr s THR 42 Cb 0.00 -0.23 -0.01 0.00 -1.51 0.00 0.00 72.50 70.75 1swr s THR 42 CO 0.00 0.01 -0.16 -0.47 -2.21 0.00 0.00 174.62 171.79 1swr s TYR 43 N 0.23 1.46 -0.13 9.09 6.14 0.11 -1.88 117.35 132.36 1swr s TYR 43 Ca -0.01 -0.32 -0.01 0.00 0.64 0.00 0.00 57.07 57.37 1swr s TYR 43 Cb -0.02 -0.96 0.03 0.00 0.42 0.00 0.00 41.96 41.43 1swr s TYR 43 CO -0.01 -0.07 -0.05 -2.00 0.64 0.00 0.00 175.55 174.07 1swr s GLU 44 N -0.22 1.27 0.05 4.97 2.12 -0.04 -0.29 118.70 126.56 1swr s GLU 44 Ca 0.03 -0.28 -0.16 0.00 0.36 0.00 0.00 54.97 54.91 1swr s GLU 44 Cb -0.08 -1.65 -0.06 0.00 0.26 0.00 0.00 34.13 32.61 1swr s GLU 44 CO 0.00 -0.35 0.49 0.45 -0.54 0.00 0.00 175.26 175.31 1swr s SER 45 N 1.74 6.91 0.12 -1.70 0.15 -1.26 -0.93 113.70 118.74 1swr s SER 45 Ca 0.03 1.09 0.24 0.00 0.70 0.00 0.00 55.95 58.01 1swr s SER 45 Cb -0.14 -2.30 0.25 0.00 -1.71 0.00 0.00 66.02 62.13 1swr s SER 45 CO -0.07 0.28 1.24 0.00 1.20 0.00 0.00 173.24 175.88 1swr h ALA 46 N 4.48 0.53 -2.22 5.45 0.00 -1.84 -3.45 119.26 122.21 1swr h ALA 46 Ca -0.50 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 53.96 1swr h ALA 46 Cb 1.21 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 1swr h ALA 46 CO 0.63 0.00 -0.73 0.14 0.00 0.00 0.00 179.25 179.29 1swr s VAL 47 N -3.20 1.70 0.00 0.00 -7.23 -1.26 -5.03 120.40 105.39 1swr s VAL 47 Ca 0.05 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1swr s VAL 47 Cb 0.13 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1swr s VAL 47 CO 0.74 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1swr n GLY 48 N -0.37 -1.53 2.85 2.32 0.00 -1.26 -4.56 105.19 102.64 1swr n GLY 48 Ca -0.08 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1swr n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swr n ASN 49 N 0.02 3.47 -3.62 1.61 5.15 -1.26 -4.83 115.26 115.80 1swr n ASN 49 Ca 0.00 -2.78 -0.11 0.00 -0.60 0.00 0.00 54.58 51.09 1swr n ASN 49 Cb 0.00 -1.47 -0.05 0.00 -0.53 0.00 0.00 39.78 37.74 1swr n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1swr s ALA 50 N 3.80 -0.99 -0.23 5.20 0.00 -1.26 -4.56 121.76 123.72 1swr s ALA 50 Ca 0.51 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1swr s ALA 50 Cb 0.14 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.99 1swr s ALA 50 CO -0.02 -0.63 0.59 -1.83 0.00 0.00 0.00 175.76 173.87 1swr s GLU 51 N -3.63 0.64 3.12 0.00 -1.05 -1.26 -4.97 118.70 111.55 1swr s GLU 51 Ca 0.02 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 55.79 1swr s GLU 51 Cb 0.01 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1swr s GLU 51 CO -0.11 -0.12 0.00 0.45 0.95 0.00 0.00 175.26 176.43 1swr n SER 52 N 3.58 -2.23 -4.82 0.83 2.88 -1.26 -4.85 113.62 107.74 1swr n SER 52 Ca -0.18 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.99 1swr n SER 52 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 1swr n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swr s ARG 53 N 0.00 4.10 0.01 -1.46 0.52 -1.26 -4.34 118.95 116.52 1swr s ARG 53 Ca 0.00 0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.90 1swr s ARG 53 Cb 0.00 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1swr s ARG 53 CO 0.00 0.58 -0.19 0.71 0.02 0.00 0.00 175.30 176.41 1swr s TYR 54 N -1.25 1.71 0.36 -0.53 1.51 0.60 -4.84 117.35 114.91 1swr s TYR 54 Ca 0.32 -0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 55.76 1swr s TYR 54 Cb -0.18 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1swr s TYR 54 CO 0.19 0.01 1.37 0.08 -1.11 0.00 0.00 175.55 176.09 1swr s VAL 55 N -0.58 2.44 0.27 0.71 1.01 -1.26 0.04 120.40 123.04 1swr s VAL 55 Ca 0.07 0.44 0.11 0.00 0.00 0.00 0.00 61.98 62.59 1swr s VAL 55 Cb -0.08 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1swr s VAL 55 CO 0.00 0.10 -0.17 -1.48 0.00 0.00 0.00 175.10 173.55 1swr s LEU 56 N -2.04 2.60 -0.07 3.92 0.05 -0.78 -4.36 118.68 118.00 1swr s LEU 56 Ca 0.52 -1.06 -0.20 0.00 0.05 0.00 0.00 54.13 53.44 1swr s LEU 56 Cb -0.42 -0.98 0.04 0.00 -2.05 0.00 0.00 46.19 42.79 1swr s LEU 56 CO 0.56 -0.06 0.47 0.28 -0.55 0.00 0.00 176.35 177.05 1swr s THR 57 N -2.64 0.03 0.00 5.48 -1.32 -0.75 -3.27 115.64 113.16 1swr s THR 57 Ca 0.29 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1swr s THR 57 Cb -0.03 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1swr s THR 57 CO 0.13 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1swr n GLY 58 N 1.58 1.58 3.08 6.08 0.00 -0.56 -0.55 105.19 116.41 1swr n GLY 58 Ca -0.19 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1swr n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swr s ARG 59 N -1.28 0.59 0.05 1.61 1.81 -0.65 -0.83 118.95 120.26 1swr s ARG 59 Ca 0.00 -0.98 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 1swr s ARG 59 Cb 0.00 -0.11 -0.01 0.00 -0.45 0.00 0.00 34.95 34.38 1swr s ARG 59 CO 0.00 -0.01 0.14 1.52 -0.68 0.00 0.00 175.30 176.27 1swr s TYR 60 N -2.48 0.17 -0.44 -0.53 1.13 -0.55 -1.31 117.35 113.33 1swr s TYR 60 Ca -0.02 -0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 54.86 1swr s TYR 60 Cb -0.02 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.74 1swr s TYR 60 CO -0.03 -0.43 1.41 0.34 -2.51 0.00 0.00 175.55 174.32 1swr s ASP 61 N -2.36 6.30 -0.05 -0.18 2.15 -0.51 -4.62 116.67 117.40 1swr s ASP 61 Ca -0.02 0.72 0.06 0.00 0.43 0.00 0.00 52.55 53.74 1swr s ASP 61 Cb 0.01 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.35 1swr s ASP 61 CO -0.06 -1.49 1.05 -1.54 -0.17 0.00 0.00 175.17 172.96 1swr n SER 62 N 8.96 2.13 -2.75 -0.34 3.41 -1.26 -4.04 113.62 119.74 1swr n SER 62 Ca 0.16 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.49 1swr n SER 62 Cb 0.48 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1swr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swr n ALA 63 N 0.24 -0.92 -1.29 7.33 0.00 -1.26 -5.02 120.51 119.59 1swr n ALA 63 Ca 0.09 -1.49 -0.31 0.00 0.00 0.00 0.00 53.44 51.73 1swr n ALA 63 Cb 0.43 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1swr n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swr s PRO 64 N 0.35 2.26 1.06 0.00 0.04 -1.26 -5.01 135.00 132.44 1swr s PRO 64 Ca 0.26 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1swr s PRO 64 Cb 0.27 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 33.04 1swr s PRO 64 CO -0.12 -1.62 0.50 0.00 0.04 0.00 0.00 177.00 175.80 1swr n ALA 65 N -3.50 -2.98 0.21 8.56 0.00 -1.26 -4.97 120.51 116.56 1swr n ALA 65 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 53.44 52.58 1swr n ALA 65 Cb 0.53 -1.80 0.01 0.00 0.00 0.00 0.00 19.45 18.19 1swr n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swr n THR 66 N -4.29 0.00 0.68 0.00 -2.24 -1.26 -4.63 114.28 102.54 1swr n THR 66 Ca 0.04 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1swr n THR 66 Cb 0.57 1.07 0.30 0.00 -2.10 0.00 0.00 70.33 70.17 1swr n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swr n ASP 67 N -0.18 0.00 0.00 3.42 5.68 -1.26 -4.74 116.55 119.48 1swr n ASP 67 Ca 0.02 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1swr n ASP 67 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1swr n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swr n GLY 68 N -0.31 0.55 3.73 6.12 0.00 -1.26 -5.09 105.19 108.94 1swr n GLY 68 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1swr n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swr s SER 69 N -2.50 4.68 0.75 1.61 0.01 -1.26 -5.02 113.70 111.96 1swr s SER 69 Ca 0.00 2.66 -0.06 0.00 1.31 0.00 0.00 55.95 59.86 1swr s SER 69 Cb 0.00 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.71 1swr s SER 69 CO 0.00 -1.96 1.05 -0.83 0.41 0.00 0.00 173.24 171.91 1swr s GLY 70 N -1.32 1.74 -0.39 3.44 0.00 -1.26 -4.84 107.32 104.69 1swr s GLY 70 Ca 0.81 -1.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 1swr s GLY 70 CO 0.41 -0.72 0.55 -1.59 0.00 0.00 0.00 173.10 171.76 1swr s THR 71 N -3.31 4.96 0.36 0.90 2.01 0.68 -4.84 115.64 116.39 1swr s THR 71 Ca 0.64 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.54 1swr s THR 71 Cb -0.08 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 1swr s THR 71 CO 0.46 -0.38 1.46 0.00 -0.69 0.00 0.00 174.62 175.47 1swr s ALA 72 N 2.51 3.58 0.18 7.40 0.00 -1.26 -0.01 121.76 134.15 1swr s ALA 72 Ca 0.19 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.44 1swr s ALA 72 Cb -0.15 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.44 1swr s ALA 72 CO 0.15 -0.96 0.60 -0.48 0.00 0.00 0.00 175.76 175.07 1swr s LEU 73 N -1.85 -0.41 0.03 0.00 2.34 -0.12 -1.42 118.68 117.25 1swr s LEU 73 Ca 0.53 -0.14 -0.24 0.00 0.06 0.00 0.00 54.13 54.34 1swr s LEU 73 Cb -0.45 2.53 0.06 0.00 -0.56 0.00 0.00 46.19 47.77 1swr s LEU 73 CO 0.59 -1.02 0.55 -0.83 -1.06 0.00 0.00 176.35 174.58 1swr s GLY 74 N -2.79 -0.46 0.04 -3.48 0.00 -0.43 -1.11 107.32 99.10 1swr s GLY 74 Ca 0.03 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.30 1swr s GLY 74 CO -0.09 0.44 0.46 0.66 0.00 0.00 0.00 173.10 174.56 1swr s TRP 75 N -2.15 -0.34 0.03 1.90 -2.14 -0.68 -1.64 118.94 113.93 1swr s TRP 75 Ca -0.07 0.34 0.07 0.00 2.66 0.00 0.00 56.10 59.10 1swr s TRP 75 Cb -0.01 0.27 -0.03 0.00 -3.10 0.00 0.00 33.47 30.60 1swr s TRP 75 CO 0.01 -0.60 -0.17 0.99 -2.66 0.00 0.00 176.95 174.52 1swr s THR 76 N -2.45 2.88 -0.13 0.66 2.01 0.29 -0.91 115.64 118.00 1swr s THR 76 Ca -0.05 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.83 1swr s THR 76 Cb -0.01 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1swr s THR 76 CO -0.02 0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.44 1swr s VAL 77 N -0.92 1.46 -0.11 3.82 1.01 0.32 -1.81 120.40 124.16 1swr s VAL 77 Ca 0.15 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1swr s VAL 77 Cb -0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1swr s VAL 77 CO 0.05 0.44 0.43 0.00 0.00 0.00 0.00 175.10 176.02 1swr s ALA 78 N 1.31 3.53 -1.25 5.51 0.00 -1.26 -0.15 121.76 129.44 1swr s ALA 78 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1swr s ALA 78 Cb -0.14 -2.56 0.18 0.00 0.00 0.00 0.00 23.12 20.60 1swr s ALA 78 CO -0.07 0.08 2.05 0.91 0.00 0.00 0.00 175.76 178.73 1swr n TRP 79 N 3.44 2.69 -4.07 0.00 7.02 0.96 -4.80 117.44 122.66 1swr n TRP 79 Ca -0.09 -2.75 -0.21 0.00 -1.02 0.00 0.00 57.50 53.43 1swr n TRP 79 Cb 0.52 -1.75 -0.17 0.00 -2.42 0.00 0.00 31.31 27.49 1swr n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swr s LYS 80 N -1.08 0.80 0.00 -0.99 2.20 -1.26 -1.26 119.74 118.14 1swr s LYS 80 Ca 0.45 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1swr s LYS 80 Cb 0.14 -0.89 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 1swr s LYS 80 CO -0.04 -0.13 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 1swr n ASN 81 N 4.30 0.04 0.00 1.43 0.23 -0.00 -4.76 115.26 116.50 1swr n ASN 81 Ca -0.21 -0.67 0.08 0.00 -0.53 0.00 0.00 54.58 53.25 1swr n ASN 81 Cb 0.51 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.56 1swr n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swr n ASN 82 N -1.98 0.00 -0.07 0.53 4.13 -1.26 -3.34 115.26 113.26 1swr n ASN 82 Ca 0.00 0.45 -0.08 0.00 1.68 0.00 0.00 54.58 56.63 1swr n ASN 82 Cb 0.00 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 37.65 1swr n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1swr n TYR 83 N -1.48 0.00 -3.83 3.10 4.01 -1.26 -5.07 117.16 112.63 1swr n TYR 83 Ca 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.73 1swr n TYR 83 Cb 0.18 -0.71 0.01 0.00 -0.31 0.00 0.00 39.34 38.51 1swr n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swr s ARG 84 N -2.35 1.56 -0.18 -0.72 1.70 -1.21 -5.09 118.95 112.66 1swr s ARG 84 Ca -0.10 -0.96 -0.05 0.00 -0.47 0.00 0.00 55.73 54.16 1swr s ARG 84 Cb 0.05 0.47 0.09 0.00 -0.57 0.00 0.00 34.95 34.98 1swr s ARG 84 CO 0.57 -0.72 0.32 1.21 -1.08 0.00 0.00 175.30 175.59 1swr s ASN 85 N -3.15 0.30 0.00 -2.89 3.84 -1.26 -0.82 114.94 110.96 1swr s ASN 85 Ca 0.17 0.54 0.25 0.00 0.21 0.00 0.00 52.86 54.02 1swr s ASN 85 Cb -0.03 0.90 0.50 0.00 -0.55 0.00 0.00 41.25 42.07 1swr s ASN 85 CO 0.06 -0.26 1.43 0.00 -2.79 0.00 0.00 177.10 175.54 1swr n ALA 86 N 5.36 2.56 -3.72 1.71 0.00 -0.39 -4.97 120.51 121.05 1swr n ALA 86 Ca -0.06 -0.60 -0.27 0.00 0.00 0.00 0.00 53.44 52.51 1swr n ALA 86 Cb 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.03 1swr n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swr n HIS 87 N 0.84 -1.88 -3.74 0.00 8.25 -1.26 -4.85 115.22 112.58 1swr n HIS 87 Ca 0.16 0.62 -0.10 0.00 -0.26 0.00 0.00 57.72 58.14 1swr n HIS 87 Cb 0.50 -3.75 -0.05 0.00 1.12 0.00 0.00 29.99 27.81 1swr n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swr s SER 88 N -3.87 -0.17 -0.09 0.41 1.04 -1.26 -1.79 113.70 107.98 1swr s SER 88 Ca 0.26 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 1swr s SER 88 Cb -0.09 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1swr s SER 88 CO 0.85 -0.91 0.23 0.00 0.98 0.00 0.00 173.24 174.39 1swr s ALA 89 N -3.86 -0.55 -0.09 5.32 0.00 -0.79 -0.03 121.76 121.76 1swr s ALA 89 Ca 0.07 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1swr s ALA 89 Cb 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1swr s ALA 89 CO -0.07 -0.15 -0.13 0.99 0.00 0.00 0.00 175.76 176.39 1swr s THR 90 N 0.72 3.08 -0.06 0.00 2.01 0.79 -1.28 115.64 120.89 1swr s THR 90 Ca -0.05 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1swr s THR 90 Cb -0.06 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 1swr s THR 90 CO -0.04 0.55 -0.15 0.42 -0.69 0.00 0.00 174.62 174.72 1swr s THR 91 N -0.15 3.02 -0.14 -0.82 -4.23 0.01 -0.52 115.64 112.81 1swr s THR 91 Ca -0.01 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1swr s THR 91 Cb -0.13 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 1swr s THR 91 CO 0.03 0.58 -0.10 0.26 -0.54 0.00 0.00 174.62 174.85 1swr s TRP 92 N -0.51 2.89 -0.10 3.99 0.51 -0.09 -0.93 118.94 124.70 1swr s TRP 92 Ca 0.07 -0.52 0.04 0.00 -2.12 0.00 0.00 56.10 53.57 1swr s TRP 92 Cb -0.12 -1.88 -0.00 0.00 -0.81 0.00 0.00 33.47 30.66 1swr s TRP 92 CO 0.02 -0.15 -0.22 0.45 -0.51 0.00 0.00 176.95 176.54 1swr s SER 93 N 0.35 3.24 0.00 2.95 0.15 0.43 -1.68 113.70 119.14 1swr s SER 93 Ca -0.09 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1swr s SER 93 Cb -0.15 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1swr s SER 93 CO 0.05 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1swr n GLY 94 N 3.42 1.64 3.06 9.45 0.00 -0.27 -1.18 105.19 121.31 1swr n GLY 94 Ca -0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1swr n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swr s GLN 95 N 1.65 0.38 -0.04 1.61 -2.07 -0.64 -0.94 119.66 119.61 1swr s GLN 95 Ca 0.00 -0.34 -0.21 0.00 -1.82 0.00 0.00 55.36 52.99 1swr s GLN 95 Cb 0.00 0.15 -0.05 0.00 -1.09 0.00 0.00 33.01 32.03 1swr s GLN 95 CO 0.00 -0.08 0.59 -0.47 -1.32 0.00 0.00 175.29 174.01 1swr s TYR 96 N -1.13 3.62 -0.16 9.60 5.04 0.98 -1.89 117.35 133.41 1swr s TYR 96 Ca -0.12 1.14 -0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1swr s TYR 96 Cb -0.07 -2.64 0.04 0.00 0.35 0.00 0.00 41.96 39.64 1swr s TYR 96 CO 0.01 0.25 -0.08 0.08 -1.34 0.00 0.00 175.55 174.47 1swr s VAL 97 N 0.21 1.27 0.00 3.14 1.01 0.38 -0.23 120.40 126.17 1swr s VAL 97 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1swr s VAL 97 Cb -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1swr s VAL 97 CO 0.16 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1swr n GLY 98 N 4.83 0.01 0.00 4.51 0.00 -1.26 -0.38 105.19 112.89 1swr n GLY 98 Ca -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1swr n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swr n GLY 99 N 5.00 0.30 0.12 -0.02 0.00 -1.26 -4.33 105.19 104.99 1swr n GLY 99 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 1swr n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swr h ALA 100 N 0.00 -0.87 -1.94 4.61 0.00 -2.06 -3.26 119.26 115.73 1swr h ALA 100 Ca 0.00 -0.05 -0.76 0.00 0.00 0.00 0.00 54.91 54.10 1swr h ALA 100 Cb 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 17.79 17.92 1swr h ALA 100 CO 0.00 -0.87 1.07 0.39 0.00 0.00 0.00 179.25 179.84 1swr n GLU 101 N -3.02 3.49 -1.85 0.00 -0.58 -1.26 -4.99 120.64 112.43 1swr n GLU 101 Ca -0.03 -4.07 -0.42 0.00 -0.42 0.00 0.00 57.16 52.22 1swr n GLU 101 Cb 0.11 -2.84 -0.03 0.00 -0.57 0.00 0.00 31.44 28.11 1swr n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swr s ALA 102 N 0.33 3.47 0.08 0.62 0.00 -1.23 -4.75 121.76 120.27 1swr s ALA 102 Ca 0.38 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 1swr s ALA 102 Cb -0.04 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.25 1swr s ALA 102 CO -0.02 -1.68 0.23 -0.98 0.00 0.00 0.00 175.76 173.31 1swr s ARG 103 N 4.53 0.85 -0.19 0.00 1.70 0.48 -4.45 118.95 121.87 1swr s ARG 103 Ca 0.82 -0.83 -0.00 0.00 -0.47 0.00 0.00 55.73 55.25 1swr s ARG 103 Cb -0.36 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1swr s ARG 103 CO 0.35 -0.28 -0.16 0.42 -1.08 0.00 0.00 175.30 174.56 1swr s ILE 104 N -3.52 2.44 -0.24 4.99 1.01 -0.18 -0.47 121.20 125.23 1swr s ILE 104 Ca 0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1swr s ILE 104 Cb 0.03 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1swr s ILE 104 CO -0.09 0.51 0.12 0.20 0.00 0.00 0.00 174.94 175.68 1swr s ASN 105 N 1.33 5.78 0.22 3.58 0.01 -0.79 -0.65 114.94 124.42 1swr s ASN 105 Ca 0.05 0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.25 1swr s ASN 105 Cb -0.13 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 1swr s ASN 105 CO -0.10 0.05 -0.02 0.42 -1.51 0.00 0.00 177.10 175.94 1swr s THR 106 N 1.15 1.08 0.12 1.60 -4.23 -0.47 -1.61 115.64 113.27 1swr s THR 106 Ca 0.06 -2.04 0.10 0.00 -1.18 0.00 0.00 61.69 58.63 1swr s THR 106 Cb -0.14 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1swr s THR 106 CO 0.05 -0.38 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.40 1swr s GLN 107 N -3.84 1.34 0.05 3.99 -1.52 -0.33 -2.26 119.66 117.08 1swr s GLN 107 Ca 0.27 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1swr s GLN 107 Cb 0.05 -1.76 -0.03 0.00 -0.22 0.00 0.00 33.01 31.05 1swr s GLN 107 CO 0.08 0.42 -0.05 1.67 -0.25 0.00 0.00 175.29 177.16 1swr s TRP 108 N -1.08 0.55 -0.13 0.91 1.48 0.08 -0.43 118.94 120.32 1swr s TRP 108 Ca 0.12 -0.78 0.01 0.00 -1.06 0.00 0.00 56.10 54.39 1swr s TRP 108 Cb -0.10 -0.36 0.02 0.00 -1.16 0.00 0.00 33.47 31.87 1swr s TRP 108 CO 0.05 -0.22 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.08 1swr s LEU 109 N -2.28 1.60 -0.34 -4.66 1.43 -0.11 -1.93 118.68 112.39 1swr s LEU 109 Ca -0.02 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1swr s LEU 109 Cb -0.01 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.22 1swr s LEU 109 CO -0.04 -0.05 0.05 -0.22 0.23 0.00 0.00 176.35 176.32 1swr s LEU 110 N 1.38 4.64 -0.19 1.79 2.96 0.27 -0.81 118.68 128.72 1swr s LEU 110 Ca 0.01 -2.02 -0.10 0.00 -0.22 0.00 0.00 54.13 51.80 1swr s LEU 110 Cb -0.13 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1swr s LEU 110 CO -0.07 -0.37 0.14 -0.89 -1.32 0.00 0.00 176.35 173.84 1swr s THR 111 N 0.96 5.41 0.06 3.68 2.01 -0.40 0.67 115.64 128.04 1swr s THR 111 Ca 0.08 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1swr s THR 111 Cb -0.20 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1swr s THR 111 CO -0.07 0.46 0.20 -0.44 -0.69 0.00 0.00 174.62 174.08 1swr s SER 112 N 0.18 6.31 -0.04 3.53 0.01 0.12 -1.89 113.70 121.93 1swr s SER 112 Ca 0.10 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 1swr s SER 112 Cb -0.11 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 1swr s SER 112 CO -0.01 0.17 1.38 -0.83 0.41 0.00 0.00 173.24 174.37 1swr s GLY 113 N -2.49 1.82 0.23 3.44 0.00 -0.74 -4.78 107.32 104.81 1swr s GLY 113 Ca 0.34 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.86 1swr s GLY 113 CO 0.27 2.53 0.14 -0.51 0.00 0.00 0.00 173.10 175.54 1swr s THR 114 N 2.72 0.11 0.72 0.90 -4.23 -1.26 -5.01 115.64 109.59 1swr s THR 114 Ca 0.62 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 1swr s THR 114 Cb -0.29 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.09 1swr s THR 114 CO 0.24 0.00 1.04 0.42 -0.54 0.00 0.00 174.62 175.79 1swr s THR 115 N -3.97 2.22 0.33 3.99 -4.23 -1.26 -4.94 115.64 107.78 1swr s THR 115 Ca 0.39 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1swr s THR 115 Cb 0.06 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.20 1swr s THR 115 CO 0.14 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.05 1swr h GLU 116 N -0.68 0.83 -0.64 3.99 4.22 -2.01 -2.44 114.58 117.85 1swr h GLU 116 Ca -0.45 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 58.90 1swr h GLU 116 Cb 1.32 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1swr h GLU 116 CO 0.61 0.55 0.22 0.00 -2.18 0.00 0.00 179.01 178.21 1swr h ALA 117 N 1.56 1.20 -0.52 2.92 0.00 -2.06 -2.87 119.26 119.49 1swr h ALA 117 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1swr h ALA 117 Cb 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1swr h ALA 117 CO -0.16 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.75 1swr n ASN 118 N -4.29 5.37 0.25 0.00 3.02 -0.93 -4.53 115.26 114.15 1swr n ASN 118 Ca 0.05 -2.93 0.11 0.00 -0.03 0.00 0.00 54.58 51.78 1swr n ASN 118 Cb 0.19 -0.66 0.66 0.00 -0.61 0.00 0.00 39.78 39.36 1swr n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swr h ALA 119 N 3.59 1.27 -0.06 5.41 0.00 -1.38 -0.97 119.26 127.12 1swr h ALA 119 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1swr h ALA 119 Cb 1.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1swr h ALA 119 CO 0.43 0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.93 1swr h ALA 120 N 1.85 1.71 -0.64 0.00 0.00 -1.83 -1.09 119.26 119.26 1swr h ALA 120 Ca -0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1swr h ALA 120 Cb 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.93 1swr h ALA 120 CO 0.02 -0.09 -0.22 1.63 0.00 0.00 0.00 179.25 180.60 1swr n LYS 121 N -3.99 2.74 0.10 0.00 5.02 -0.37 -4.67 118.16 117.00 1swr n LYS 121 Ca -0.02 -3.63 0.11 0.00 -2.02 0.00 0.00 58.31 52.76 1swr n LYS 121 Cb 0.15 -2.10 -0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1swr n LYS 121 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1swr h SER 122 N 1.69 0.00 -3.25 4.39 4.64 -1.20 -3.47 113.55 116.36 1swr h SER 122 Ca 0.36 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.01 1swr h SER 122 Cb 1.42 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.17 1swr h SER 122 CO 0.77 0.02 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.04 1swr s THR 123 N -3.35 2.35 0.22 2.95 2.01 -1.26 0.14 115.64 118.70 1swr s THR 123 Ca -0.01 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 1swr s THR 123 Cb 0.09 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1swr s THR 123 CO 0.79 0.42 0.43 -0.76 -0.69 0.00 0.00 174.62 174.81 1swr s LEU 124 N 1.30 4.18 0.01 4.42 1.43 0.21 -4.91 118.68 125.33 1swr s LEU 124 Ca 0.03 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1swr s LEU 124 Cb -0.14 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1swr s LEU 124 CO -0.10 -0.08 -0.10 0.54 0.23 0.00 0.00 176.35 176.84 1swr s VAL 125 N -1.93 0.80 0.01 -1.59 0.11 -1.26 -0.56 120.40 115.98 1swr s VAL 125 Ca 0.40 -0.62 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1swr s VAL 125 Cb -0.11 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1swr s VAL 125 CO 0.29 0.09 0.02 0.61 -3.33 0.00 0.00 175.10 172.79 1swr n GLY 126 N 2.47 1.70 2.92 6.54 0.00 -0.81 -5.00 105.19 113.01 1swr n GLY 126 Ca -0.16 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1swr n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swr s HIS 127 N -7.69 -0.05 0.01 1.61 -3.43 -1.26 -0.74 115.29 103.73 1swr s HIS 127 Ca 0.00 0.12 0.07 0.00 -0.80 0.00 0.00 55.06 54.45 1swr s HIS 127 Cb -0.00 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 1swr s HIS 127 CO 0.00 -0.03 -0.20 -0.51 -2.00 0.00 0.00 174.74 172.00 1swr s ASP 128 N 0.01 2.41 -0.21 7.38 1.01 -0.96 -4.99 116.67 121.32 1swr s ASP 128 Ca -0.00 -0.44 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 1swr s ASP 128 Cb -0.00 -0.24 0.01 0.00 1.01 0.00 0.00 42.92 43.70 1swr s ASP 128 CO 0.00 0.21 -0.12 -0.89 0.21 0.00 0.00 175.17 174.58 1swr s THR 129 N -0.62 2.62 -0.13 -1.27 2.01 -1.26 -1.37 115.64 115.62 1swr s THR 129 Ca 0.08 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 1swr s THR 129 Cb -0.08 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1swr s THR 129 CO 0.00 0.43 0.12 -0.36 -0.69 0.00 0.00 174.62 174.12 1swr s PHE 130 N 1.35 3.50 0.22 4.92 0.40 0.18 -3.00 117.98 125.54 1swr s PHE 130 Ca 0.04 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1swr s PHE 130 Cb -0.14 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 1swr s PHE 130 CO -0.08 0.62 0.05 0.99 0.70 0.00 0.00 175.22 177.50 1swr s THR 131 N -0.78 0.63 -1.82 0.64 2.01 0.40 -1.01 115.64 115.71 1swr s THR 131 Ca 0.13 -1.99 0.20 0.00 0.31 0.00 0.00 61.69 60.34 1swr s THR 131 Cb -0.12 -2.38 0.63 0.00 0.01 0.00 0.00 72.50 70.64 1swr s THR 131 CO 0.03 -0.24 1.52 0.29 -0.69 0.00 0.00 174.62 175.53 1swr n LYS 132 N -0.35 2.82 0.00 4.92 5.02 -1.26 0.58 118.16 129.88 1swr n LYS 132 Ca -0.03 -2.53 0.04 0.00 -2.02 0.00 0.00 58.31 53.76 1swr n LYS 132 Cb 0.65 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1swr n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21