#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 1.01 -3.54 -0.61 2.04 -1.97 -3.47 117.51 110.97 1swr h ILE 17 Ca 0.00 -2.36 -0.56 0.00 1.00 0.00 0.00 64.86 62.94 1swr h ILE 17 Cb 0.00 2.66 0.12 0.00 -0.74 0.00 0.00 36.82 38.85 1swr h ILE 17 CO 0.00 0.66 0.53 0.41 0.00 0.00 0.00 178.15 179.75 1swr n THR 18 N -3.98 2.37 0.00 -0.27 -1.04 -1.26 -4.77 114.28 105.32 1swr n THR 18 Ca -0.26 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1swr n THR 18 Cb 0.87 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.76 0.59 3.67 3.41 0.00 0.20 -4.98 105.19 108.83 1swr n GLY 19 Ca 0.06 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.93 4.71 0.09 2.61 2.01 -1.26 -0.73 115.64 122.13 1swr s THR 20 Ca 0.00 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1swr s THR 20 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1swr s THR 20 CO 0.00 0.52 -0.07 0.26 -0.69 0.00 0.00 174.62 174.64 1swr s TRP 21 N -0.12 0.87 -0.02 4.92 0.52 0.17 -4.64 118.94 120.64 1swr s TRP 21 Ca 0.06 -0.83 0.03 0.00 0.02 0.00 0.00 56.10 55.38 1swr s TRP 21 Cb -0.12 -0.50 -0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1swr s TRP 21 CO 0.01 -0.13 -0.09 0.71 0.02 0.00 0.00 176.95 177.48 1swr s TYR 22 N -3.19 0.87 0.00 -1.98 2.02 -0.19 -0.78 117.35 114.10 1swr s TYR 22 Ca 0.08 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1swr s TYR 22 Cb 0.02 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 1swr s TYR 22 CO -0.04 -0.06 0.00 0.27 -1.57 0.00 0.00 175.55 174.16 1swr n ASN 23 N 3.08 0.00 -0.00 2.29 0.23 -1.14 0.51 115.26 120.22 1swr n ASN 23 Ca -0.16 -0.55 0.10 0.00 -0.53 0.00 0.00 54.58 53.44 1swr n ASN 23 Cb 0.56 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.14 1swr n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swr n GLN 24 N -0.55 0.15 0.07 -3.83 0.00 -1.25 -2.62 117.38 109.36 1swr n GLN 24 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.12 1swr n GLN 24 Cb 0.00 -1.48 0.22 0.00 0.00 0.00 0.00 30.24 28.98 1swr n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swr n LEU 25 N -1.50 0.73 0.00 2.61 4.77 -1.26 -4.93 117.00 117.42 1swr n LEU 25 Ca 0.04 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1swr n LEU 25 Cb 0.33 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1swr n LEU 25 CO 0.42 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1swr n GLY 26 N 1.33 0.72 3.79 -0.72 0.00 -1.08 -4.76 105.19 104.48 1swr n GLY 26 Ca 0.04 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.21 4.85 -0.09 1.61 0.01 -1.26 -4.60 113.70 112.02 1swr s SER 27 Ca 0.00 1.74 0.03 0.00 1.31 0.00 0.00 55.95 59.03 1swr s SER 27 Cb 0.00 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1swr s SER 27 CO 0.00 -1.80 -0.19 -0.89 0.41 0.00 0.00 173.24 170.77 1swr s THR 28 N -2.96 1.70 -0.29 1.44 2.01 0.32 -2.90 115.64 114.96 1swr s THR 28 Ca 0.60 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1swr s THR 28 Cb -0.16 -1.50 0.06 0.00 0.01 0.00 0.00 72.50 70.92 1swr s THR 28 CO 0.56 0.48 -0.04 0.12 -0.69 0.00 0.00 174.62 175.05 1swr s PHE 29 N 0.51 3.34 -0.31 4.92 5.36 0.04 0.09 117.98 131.94 1swr s PHE 29 Ca -0.16 -2.26 -0.03 0.00 -0.96 0.00 0.00 56.93 53.52 1swr s PHE 29 Cb -0.17 -2.16 0.05 0.00 -0.34 0.00 0.00 43.02 40.40 1swr s PHE 29 CO 0.06 -0.87 0.03 0.42 -1.46 0.00 0.00 175.22 173.40 1swr s ILE 30 N 1.13 3.19 0.13 3.12 1.01 -0.83 0.45 121.20 129.40 1swr s ILE 30 Ca -0.05 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.34 1swr s ILE 30 Cb -0.20 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1swr s ILE 30 CO -0.04 -0.14 -0.18 0.68 0.00 0.00 0.00 174.94 175.26 1swr s VAL 31 N 1.29 1.67 -0.21 2.92 -7.23 0.09 -1.44 120.40 117.49 1swr s VAL 31 Ca -0.04 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1swr s VAL 31 Cb -0.20 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1swr s VAL 31 CO -0.00 -0.23 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.52 1swr s THR 32 N -1.68 2.28 -0.49 5.32 2.01 0.11 0.58 115.64 123.77 1swr s THR 32 Ca 0.10 -1.07 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 1swr s THR 32 Cb -0.07 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1swr s THR 32 CO 0.05 0.37 0.83 0.00 -0.69 0.00 0.00 174.62 175.18 1swr s ALA 33 N 1.27 3.25 0.28 7.40 0.00 -1.26 -1.60 121.76 131.10 1swr s ALA 33 Ca 0.01 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 1swr s ALA 33 Cb -0.15 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 1swr s ALA 33 CO -0.09 -2.11 0.98 0.20 0.00 0.00 0.00 175.76 174.73 1swr s GLY 34 N 2.46 2.99 0.41 0.00 0.00 0.36 -4.87 107.32 108.66 1swr s GLY 34 Ca 0.29 0.65 0.23 0.00 0.00 0.00 0.00 44.72 45.89 1swr s GLY 34 CO 0.20 1.17 1.69 0.00 0.00 0.00 0.00 173.10 176.17 1swr h ALA 35 N 3.69 2.42 -0.80 3.20 0.00 -1.97 0.31 119.26 126.10 1swr h ALA 35 Ca -0.46 0.10 0.30 0.00 0.00 0.00 0.00 54.91 54.85 1swr h ALA 35 Cb 1.20 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1swr h ALA 35 CO 0.66 -0.96 0.29 -3.47 0.00 0.00 0.00 179.25 175.78 1swr n ASP 36 N -4.72 0.15 0.00 0.00 2.03 -1.26 -4.88 116.55 107.87 1swr n ASP 36 Ca 0.32 1.34 0.00 0.00 0.52 0.00 0.00 54.79 56.97 1swr n ASP 36 Cb 1.14 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1swr n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swr n GLY 37 N -1.28 0.62 3.76 0.27 0.00 0.11 -4.99 105.19 103.68 1swr n GLY 37 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 3.33 -0.13 4.61 0.00 -1.19 -0.05 121.76 126.33 1swr s ALA 38 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1swr s ALA 38 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1swr s ALA 38 CO 0.00 0.21 -0.22 -0.51 0.00 0.00 0.00 175.76 175.24 1swr s LEU 39 N -1.32 2.08 0.10 0.00 1.02 -0.53 0.13 118.68 120.17 1swr s LEU 39 Ca 0.42 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1swr s LEU 39 Cb -0.25 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 1swr s LEU 39 CO 0.30 0.10 -0.09 0.42 0.02 0.00 0.00 176.35 177.10 1swr s THR 40 N 0.68 0.88 -5.00 5.49 -4.23 -0.63 -1.06 115.64 111.78 1swr s THR 40 Ca -0.11 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1swr s THR 40 Cb -0.16 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1swr s THR 40 CO 0.01 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1swr n GLY 41 N 0.34 -0.35 3.05 3.99 0.00 -1.01 -0.71 105.19 110.51 1swr n GLY 41 Ca -0.15 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1swr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swr s THR 42 N -3.20 0.48 -0.05 2.61 -4.23 -0.52 -1.05 115.64 109.69 1swr s THR 42 Ca 0.00 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1swr s THR 42 Cb 0.00 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 1swr s THR 42 CO 0.00 -0.42 -0.22 -0.47 -0.54 0.00 0.00 174.62 172.97 1swr s TYR 43 N -1.49 2.12 -0.28 3.99 6.14 0.13 -1.96 117.35 126.01 1swr s TYR 43 Ca -0.10 -0.60 0.01 0.00 0.64 0.00 0.00 57.07 57.02 1swr s TYR 43 Cb -0.09 -1.40 0.06 0.00 0.42 0.00 0.00 41.96 40.94 1swr s TYR 43 CO -0.00 -0.18 -0.07 -2.00 0.64 0.00 0.00 175.55 173.94 1swr s GLU 44 N -0.12 2.32 -0.24 4.97 2.12 0.11 -0.53 118.70 127.34 1swr s GLU 44 Ca -0.03 -1.31 -0.09 0.00 0.36 0.00 0.00 54.97 53.90 1swr s GLU 44 Cb -0.12 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1swr s GLU 44 CO 0.03 -0.59 0.13 0.45 -0.54 0.00 0.00 175.26 174.74 1swr s SER 45 N 1.16 5.84 0.35 -1.70 0.15 -1.26 0.12 113.70 118.36 1swr s SER 45 Ca -0.07 0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.71 1swr s SER 45 Cb -0.20 -2.05 0.85 0.00 -1.71 0.00 0.00 66.02 62.91 1swr s SER 45 CO -0.03 0.05 1.83 0.00 1.20 0.00 0.00 173.24 176.29 1swr h ALA 46 N 7.59 1.87 -2.00 5.45 0.00 -1.85 -3.43 119.26 126.89 1swr h ALA 46 Ca -0.37 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 1swr h ALA 46 Cb 1.17 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1swr h ALA 46 CO 0.64 -0.16 -0.68 0.14 0.00 0.00 0.00 179.25 179.18 1swr s VAL 47 N -5.68 2.04 0.00 0.00 -7.23 -1.26 -5.02 120.40 103.24 1swr s VAL 47 Ca -0.10 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1swr s VAL 47 Cb 0.23 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1swr s VAL 47 CO 0.79 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1swr n GLY 48 N -0.71 -2.37 2.94 2.32 0.00 -1.26 -4.60 105.19 101.52 1swr n GLY 48 Ca -0.05 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.29 3.64 -3.71 1.61 5.15 -1.26 -4.79 115.26 115.60 1swr n ASN 49 Ca 0.00 -2.81 -0.14 0.00 -0.60 0.00 0.00 54.58 51.03 1swr n ASN 49 Cb 0.00 -1.54 -0.08 0.00 -0.53 0.00 0.00 39.78 37.63 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 4.03 -0.95 -0.29 5.20 0.00 -1.26 -4.48 121.76 124.00 1swr s ALA 50 Ca 0.51 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1swr s ALA 50 Cb 0.12 0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.46 1swr s ALA 50 CO -0.01 -0.30 0.70 -2.00 0.00 0.00 0.00 175.76 174.15 1swr s GLU 51 N -1.44 0.59 1.89 0.00 2.12 -1.26 -4.98 118.70 115.62 1swr s GLU 51 Ca -0.12 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.52 1swr s GLU 51 Cb -0.04 0.61 0.00 0.00 0.26 0.00 0.00 34.13 34.96 1swr s GLU 51 CO 0.04 -0.17 0.00 0.45 -0.54 0.00 0.00 175.26 175.04 1swr n SER 52 N 5.03 -2.71 -4.85 -1.70 2.88 -1.26 -4.86 113.62 106.15 1swr n SER 52 Ca -0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1swr n SER 52 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 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 4.00 0.06 -1.46 0.52 -1.26 -4.40 118.95 116.41 1swr s ARG 53 Ca 0.00 0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1swr s ARG 53 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1swr s ARG 53 CO 0.00 0.35 -0.13 0.71 0.02 0.00 0.00 175.30 176.25 1swr s TYR 54 N -1.68 1.13 0.19 -0.53 1.51 0.31 -4.89 117.35 113.39 1swr s TYR 54 Ca 0.45 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 1swr s TYR 54 Cb -0.13 -0.65 -0.08 0.00 -0.11 0.00 0.00 41.96 40.99 1swr s TYR 54 CO 0.20 0.03 1.17 0.08 -1.11 0.00 0.00 175.55 175.92 1swr s VAL 55 N -1.21 3.64 0.23 0.71 1.01 -1.26 0.23 120.40 123.75 1swr s VAL 55 Ca -0.03 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.46 1swr s VAL 55 Cb -0.10 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1swr s VAL 55 CO 0.02 0.23 -0.20 -1.48 0.00 0.00 0.00 175.10 173.67 1swr s LEU 56 N -0.32 2.53 -0.01 3.92 0.05 -0.21 -4.34 118.68 120.30 1swr s LEU 56 Ca 0.52 -0.96 -0.14 0.00 0.05 0.00 0.00 54.13 53.59 1swr s LEU 56 Cb -0.32 -1.03 0.02 0.00 -2.05 0.00 0.00 46.19 42.81 1swr s LEU 56 CO 0.36 0.03 0.29 0.28 -0.55 0.00 0.00 176.35 176.76 1swr s THR 57 N -2.28 0.06 0.00 5.48 -1.32 -0.79 -2.39 115.64 114.40 1swr s THR 57 Ca 0.25 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1swr s THR 57 Cb -0.05 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1swr s THR 57 CO 0.12 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1swr n GLY 58 N 1.26 1.67 3.02 6.08 0.00 -0.22 -0.27 105.19 116.74 1swr n GLY 58 Ca -0.22 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.26 0.42 0.07 1.61 1.81 0.08 -1.45 118.95 120.22 1swr s ARG 59 Ca 0.00 -0.82 -0.05 0.00 -1.72 0.00 0.00 55.73 53.14 1swr s ARG 59 Cb 0.00 0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 1swr s ARG 59 CO 0.00 -0.07 0.09 1.52 -0.68 0.00 0.00 175.30 176.16 1swr s TYR 60 N -2.31 0.30 -0.48 -0.53 1.13 0.93 -1.16 117.35 115.23 1swr s TYR 60 Ca -0.08 -0.76 -0.27 0.00 -1.41 0.00 0.00 57.07 54.54 1swr s TYR 60 Cb -0.04 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1swr s TYR 60 CO -0.04 -0.46 1.81 0.34 -2.51 0.00 0.00 175.55 174.69 1swr s ASP 61 N -2.80 5.59 0.00 -0.18 -1.08 0.05 -4.63 116.67 113.62 1swr s ASP 61 Ca 0.05 0.78 0.15 0.00 -0.52 0.00 0.00 52.55 53.01 1swr s ASP 61 Cb 0.05 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.68 1swr s ASP 61 CO -0.10 -2.04 1.48 -1.54 0.52 0.00 0.00 175.17 173.49 1swr n SER 62 N 11.50 0.85 -3.05 -0.34 3.41 -1.26 -4.01 113.62 120.71 1swr n SER 62 Ca 0.21 -1.70 -0.15 0.00 -0.26 0.00 0.00 58.87 56.97 1swr n SER 62 Cb 0.50 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.17 1.47 -1.15 7.33 0.00 -1.26 -5.05 120.51 121.68 1swr n ALA 63 Ca 0.12 -2.94 -0.30 0.00 0.00 0.00 0.00 53.44 50.33 1swr n ALA 63 Cb 0.18 -0.98 0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.85 1.07 0.47 0.00 0.04 -1.26 -4.97 135.00 128.50 1swr s PRO 64 Ca 0.35 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1swr s PRO 64 Cb 0.34 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 33.01 1swr s PRO 64 CO -0.07 -2.37 1.22 0.00 0.04 0.00 0.00 177.00 175.82 1swr n ALA 65 N -3.97 1.09 0.12 8.56 0.00 -1.26 -4.92 120.51 120.13 1swr n ALA 65 Ca 0.07 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.74 1swr n ALA 65 Cb 0.55 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.77 1swr n ALA 65 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1swr h THR 66 N 1.70 0.71 0.00 0.00 1.35 -1.93 -3.38 112.91 111.36 1swr h THR 66 Ca -0.48 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1swr h THR 66 Cb 1.31 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1swr h THR 66 CO 0.58 0.40 0.00 -0.90 -0.25 0.00 0.00 175.52 175.35 1swr n ASP 67 N -3.13 0.00 0.00 5.36 5.75 -1.26 -4.80 116.55 118.47 1swr n ASP 67 Ca -0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1swr n ASP 67 Cb 0.74 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1swr n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swr n GLY 68 N -0.17 2.25 3.36 6.12 0.00 -1.26 -5.06 105.19 110.42 1swr n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1swr n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swr n SER 69 N 0.00 -2.18 -4.45 1.61 7.64 -1.26 -4.99 113.62 109.99 1swr n SER 69 Ca 0.00 0.12 -0.27 0.00 1.01 0.00 0.00 58.87 59.73 1swr n SER 69 Cb 0.00 -1.10 0.14 0.00 -1.01 0.00 0.00 64.21 62.24 1swr n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1swr s GLY 70 N -1.96 1.76 -0.38 0.23 0.00 -1.26 -4.85 107.32 100.86 1swr s GLY 70 Ca 0.57 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.82 1swr s GLY 70 CO 0.67 -0.71 0.22 -1.59 0.00 0.00 0.00 173.10 171.69 1swr s THR 71 N -3.53 4.69 0.28 0.90 2.01 0.14 -4.75 115.64 115.38 1swr s THR 71 Ca 0.69 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 1swr s THR 71 Cb -0.05 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1swr s THR 71 CO 0.49 -0.23 1.28 0.00 -0.69 0.00 0.00 174.62 175.46 1swr s ALA 72 N 1.58 3.50 0.32 7.40 0.00 -1.26 0.01 121.76 133.30 1swr s ALA 72 Ca 0.03 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1swr s ALA 72 Cb -0.19 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.50 1swr s ALA 72 CO 0.07 -0.52 0.68 -0.48 0.00 0.00 0.00 175.76 175.51 1swr s LEU 73 N -1.13 0.06 -0.11 0.00 0.05 -0.81 -0.77 118.68 115.97 1swr s LEU 73 Ca 0.51 -0.95 -0.30 0.00 0.05 0.00 0.00 54.13 53.43 1swr s LEU 73 Cb -0.37 2.49 0.12 0.00 -2.05 0.00 0.00 46.19 46.38 1swr s LEU 73 CO 0.46 -1.44 1.01 -0.83 -0.55 0.00 0.00 176.35 175.00 1swr s GLY 74 N -3.02 -0.33 0.18 -3.48 0.00 -0.31 -1.51 107.32 98.84 1swr s GLY 74 Ca 0.16 1.60 -0.10 0.00 0.00 0.00 0.00 44.72 46.39 1swr s GLY 74 CO 0.10 0.68 0.32 0.66 0.00 0.00 0.00 173.10 174.86 1swr s TRP 75 N -2.10 0.37 -0.01 1.90 -2.14 -0.67 -0.74 118.94 115.56 1swr s TRP 75 Ca 0.03 -0.73 0.03 0.00 2.66 0.00 0.00 56.10 58.09 1swr s TRP 75 Cb -0.01 -0.01 -0.01 0.00 -3.10 0.00 0.00 33.47 30.34 1swr s TRP 75 CO -0.04 -0.76 -0.10 0.99 -2.66 0.00 0.00 176.95 174.38 1swr s THR 76 N -3.97 0.82 -0.14 0.66 2.01 0.63 -1.24 115.64 114.40 1swr s THR 76 Ca 0.18 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1swr s THR 76 Cb 0.03 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1swr s THR 76 CO 0.01 0.23 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.31 1swr s VAL 77 N -0.24 1.71 -0.18 3.82 1.01 -0.44 -1.88 120.40 124.20 1swr s VAL 77 Ca 0.04 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 1swr s VAL 77 Cb -0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1swr s VAL 77 CO -0.00 0.48 0.42 0.00 0.00 0.00 0.00 175.10 176.00 1swr s ALA 78 N 1.26 3.54 -1.41 5.51 0.00 -1.26 -1.12 121.76 128.28 1swr s ALA 78 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1swr s ALA 78 Cb -0.14 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1swr s ALA 78 CO -0.08 -0.23 2.89 0.91 0.00 0.00 0.00 175.76 179.25 1swr n TRP 79 N 4.28 2.25 -4.15 0.00 7.02 -0.43 -4.76 117.44 121.66 1swr n TRP 79 Ca -0.08 -2.89 -0.24 0.00 -1.02 0.00 0.00 57.50 53.28 1swr n TRP 79 Cb 0.51 -2.26 -0.17 0.00 -2.42 0.00 0.00 31.31 26.97 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 1.27 1.27 0.00 -0.99 2.20 -1.26 0.36 119.74 122.59 1swr s LYS 80 Ca 0.66 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1swr s LYS 80 Cb 0.20 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 1swr s LYS 80 CO -0.07 -0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.05 1swr n ASN 81 N 4.41 0.00 0.13 1.43 0.23 0.22 -4.76 115.26 116.91 1swr n ASN 81 Ca -0.18 -0.66 -0.01 0.00 -0.53 0.00 0.00 54.58 53.20 1swr n ASN 81 Cb 0.51 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.47 1swr n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swr h ASN 82 N 0.00 0.15 1.30 0.53 2.35 -1.95 -3.11 115.58 114.84 1swr h ASN 82 Ca 0.00 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1swr h ASN 82 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1swr h ASN 82 CO 0.00 0.55 -0.72 1.88 -1.65 0.00 0.00 177.43 177.49 1swr h TYR 83 N 0.12 0.00 -1.87 1.19 0.05 -1.96 -3.49 116.97 111.02 1swr h TYR 83 Ca 0.01 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.92 1swr h TYR 83 Cb 0.80 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.35 1swr h TYR 83 CO 0.01 0.37 0.59 0.50 -1.05 0.00 0.00 178.16 178.58 1swr s ARG 84 N -3.05 0.63 -0.23 4.88 3.52 -1.18 -5.07 118.95 118.46 1swr s ARG 84 Ca 0.02 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1swr s ARG 84 Cb 0.08 0.29 0.10 0.00 -1.56 0.00 0.00 34.95 33.85 1swr s ARG 84 CO 0.76 -0.25 0.19 1.21 -0.81 0.00 0.00 175.30 176.39 1swr s ASN 85 N -1.97 2.09 0.00 -2.12 2.47 -1.26 -0.61 114.94 113.54 1swr s ASN 85 Ca 0.04 -0.63 0.31 0.00 0.42 0.00 0.00 52.86 53.00 1swr s ASN 85 Cb -0.01 0.12 1.79 0.00 -1.45 0.00 0.00 41.25 41.69 1swr s ASN 85 CO -0.05 -0.37 2.16 0.00 -3.72 0.00 0.00 177.10 175.12 1swr n ALA 86 N 5.29 2.62 -3.72 1.71 0.00 0.16 -4.90 120.51 121.67 1swr n ALA 86 Ca -0.05 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1swr n ALA 86 Cb 0.47 -1.50 0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.07 -1.90 -3.90 0.00 8.25 -1.26 -4.85 115.22 110.49 1swr n HIS 87 Ca 0.21 0.84 -0.09 0.00 -0.26 0.00 0.00 57.72 58.42 1swr n HIS 87 Cb 0.14 -4.35 -0.05 0.00 1.12 0.00 0.00 29.99 26.85 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 -4.36 -0.13 -0.12 0.41 1.04 -1.26 -1.30 113.70 107.99 1swr s SER 88 Ca 0.01 -0.75 -0.09 0.00 0.48 0.00 0.00 55.95 55.60 1swr s SER 88 Cb -0.00 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1swr s SER 88 CO 0.82 -1.07 0.29 0.00 0.98 0.00 0.00 173.24 174.26 1swr s ALA 89 N -3.95 -0.72 -0.12 5.32 0.00 -0.50 -1.31 121.76 120.49 1swr s ALA 89 Ca 0.16 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 1swr s ALA 89 Cb -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1swr s ALA 89 CO 0.03 -0.17 -0.10 0.99 0.00 0.00 0.00 175.76 176.51 1swr s THR 90 N 0.58 3.32 -0.09 0.00 2.01 -0.27 -0.09 115.64 121.10 1swr s THR 90 Ca -0.04 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1swr s THR 90 Cb -0.05 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1swr s THR 90 CO -0.03 0.53 -0.18 0.42 -0.69 0.00 0.00 174.62 174.67 1swr s THR 91 N 0.10 2.63 -0.16 -0.82 -4.23 -0.02 -1.33 115.64 111.82 1swr s THR 91 Ca -0.04 -0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1swr s THR 91 Cb -0.14 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1swr s THR 91 CO 0.04 0.56 0.04 0.26 -0.54 0.00 0.00 174.62 174.97 1swr s TRP 92 N -0.01 3.21 -0.09 3.99 0.51 -0.38 -1.66 118.94 124.52 1swr s TRP 92 Ca -0.06 0.04 0.04 0.00 -2.12 0.00 0.00 56.10 54.01 1swr s TRP 92 Cb -0.15 -2.00 0.00 0.00 -0.81 0.00 0.00 33.47 30.52 1swr s TRP 92 CO 0.05 0.20 -0.22 0.45 -0.51 0.00 0.00 176.95 176.92 1swr s SER 93 N 0.08 2.81 0.00 2.95 0.15 0.57 -1.66 113.70 118.60 1swr s SER 93 Ca 0.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1swr s SER 93 Cb -0.13 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1swr s SER 93 CO 0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1swr n GLY 94 N 3.47 1.82 3.34 9.45 0.00 -0.57 -0.52 105.19 122.19 1swr n GLY 94 Ca -0.19 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 1.98 0.59 0.02 1.61 -2.07 -0.03 -1.93 119.66 119.83 1swr s GLN 95 Ca 0.00 0.45 -0.18 0.00 -1.82 0.00 0.00 55.36 53.80 1swr s GLN 95 Cb 0.00 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1swr s GLN 95 CO 0.00 -0.10 0.53 -0.47 -1.32 0.00 0.00 175.29 173.92 1swr s TYR 96 N -0.16 3.74 -0.21 9.60 5.04 0.10 -1.28 117.35 134.18 1swr s TYR 96 Ca -0.03 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.75 1swr s TYR 96 Cb -0.03 -2.48 0.06 0.00 0.35 0.00 0.00 41.96 39.86 1swr s TYR 96 CO 0.02 0.52 -0.03 0.08 -1.34 0.00 0.00 175.55 174.80 1swr s VAL 97 N -0.76 1.14 1.12 3.14 1.01 0.65 0.28 120.40 126.99 1swr s VAL 97 Ca 0.28 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1swr s VAL 97 Cb -0.18 -1.47 0.27 0.00 0.00 0.00 0.00 36.38 34.99 1swr s VAL 97 CO 0.17 -0.10 1.23 -0.83 0.00 0.00 0.00 175.10 175.56 1swr s GLY 98 N 1.58 1.70 0.00 4.51 0.00 -1.26 -1.30 107.32 112.54 1swr s GLY 98 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1swr s GLY 98 CO -0.07 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1swr n GLY 99 N -2.31 0.47 0.26 0.20 0.00 -1.26 -4.68 105.19 97.87 1swr n GLY 99 Ca 0.16 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 0.73 -2.75 4.61 0.00 -2.06 -3.23 119.26 116.55 1swr h ALA 100 Ca 0.00 -0.24 -0.76 0.00 0.00 0.00 0.00 54.91 53.91 1swr h ALA 100 Cb 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 17.28 1swr h ALA 100 CO 0.00 0.45 0.16 -1.21 0.00 0.00 0.00 179.25 178.66 1swr s GLU 101 N -5.23 3.69 0.34 0.00 0.41 -1.26 -5.05 118.70 111.59 1swr s GLU 101 Ca -0.13 -3.01 -0.29 0.00 -0.41 0.00 0.00 54.97 51.14 1swr s GLU 101 Cb 0.12 -4.30 -0.11 0.00 -1.78 0.00 0.00 34.13 28.06 1swr s GLU 101 CO 0.81 -1.25 1.42 0.00 -0.49 0.00 0.00 175.26 175.75 1swr s ALA 102 N -0.87 3.56 0.03 5.21 0.00 -1.22 -4.87 121.76 123.60 1swr s ALA 102 Ca 0.26 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.65 1swr s ALA 102 Cb -0.10 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1swr s ALA 102 CO -0.09 -0.86 -0.03 1.03 0.00 0.00 0.00 175.76 175.81 1swr s ARG 103 N -1.71 0.39 -0.30 0.00 0.52 -0.42 -4.24 118.95 113.19 1swr s ARG 103 Ca 0.53 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.96 1swr s ARG 103 Cb -0.44 0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.20 1swr s ARG 103 CO 0.56 -0.06 -0.00 0.42 0.02 0.00 0.00 175.30 176.24 1swr s ILE 104 N -2.05 2.98 -0.24 1.52 1.01 -0.54 -0.25 121.20 123.65 1swr s ILE 104 Ca -0.10 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.05 1swr s ILE 104 Cb -0.06 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1swr s ILE 104 CO -0.03 -0.08 0.30 0.20 0.00 0.00 0.00 174.94 175.33 1swr s ASN 105 N 1.26 6.26 0.07 3.58 0.01 -0.41 -1.33 114.94 124.38 1swr s ASN 105 Ca -0.05 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.43 1swr s ASN 105 Cb -0.20 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1swr s ASN 105 CO -0.01 -0.06 -0.10 0.42 -1.51 0.00 0.00 177.10 175.84 1swr s THR 106 N 1.45 0.80 0.04 1.60 -4.23 -0.20 -0.85 115.64 114.25 1swr s THR 106 Ca 0.14 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1swr s THR 106 Cb -0.15 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1swr s THR 106 CO 0.08 -0.43 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.46 1swr s GLN 107 N -2.13 2.15 0.11 3.99 -0.21 0.32 -1.44 119.66 122.44 1swr s GLN 107 Ca -0.02 -0.94 0.04 0.00 0.02 0.00 0.00 55.36 54.46 1swr s GLN 107 Cb -0.07 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1swr s GLN 107 CO 0.00 0.55 -0.11 1.67 -2.12 0.00 0.00 175.29 175.28 1swr s TRP 108 N -0.95 1.15 -0.18 0.91 1.48 0.21 -0.32 118.94 121.25 1swr s TRP 108 Ca 0.15 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 54.54 1swr s TRP 108 Cb -0.11 -0.62 0.01 0.00 -1.16 0.00 0.00 33.47 31.60 1swr s TRP 108 CO 0.06 0.04 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.29 1swr s LEU 109 N -2.58 2.24 -0.33 -4.66 1.43 -0.66 -1.24 118.68 112.87 1swr s LEU 109 Ca 0.08 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1swr s LEU 109 Cb -0.02 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.74 1swr s LEU 109 CO 0.01 0.01 0.07 -0.22 0.23 0.00 0.00 176.35 176.44 1swr s LEU 110 N 1.24 4.22 -0.21 1.79 2.96 0.45 -0.84 118.68 128.29 1swr s LEU 110 Ca 0.03 -1.30 -0.08 0.00 -0.22 0.00 0.00 54.13 52.56 1swr s LEU 110 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1swr s LEU 110 CO -0.10 -0.32 0.08 -0.89 -1.32 0.00 0.00 176.35 173.80 1swr s THR 111 N 1.30 4.82 -0.05 3.68 2.01 0.87 0.06 115.64 128.34 1swr s THR 111 Ca -0.02 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1swr s THR 111 Cb -0.20 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1swr s THR 111 CO 0.00 0.41 0.11 -0.44 -0.69 0.00 0.00 174.62 174.01 1swr s SER 112 N 0.74 5.95 0.02 3.53 0.01 0.20 -1.40 113.70 122.75 1swr s SER 112 Ca 0.04 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 1swr s SER 112 Cb -0.13 -1.80 -0.07 0.00 0.21 0.00 0.00 66.02 64.23 1swr s SER 112 CO 0.02 0.32 1.62 -0.83 0.41 0.00 0.00 173.24 174.78 1swr s GLY 113 N -1.49 1.60 0.22 3.44 0.00 -0.42 -4.77 107.32 105.89 1swr s GLY 113 Ca 0.21 1.08 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1swr s GLY 113 CO 0.11 2.89 -0.03 -0.51 0.00 0.00 0.00 173.10 175.56 1swr s THR 114 N 3.09 1.12 0.74 0.90 -4.23 -1.26 -5.00 115.64 110.99 1swr s THR 114 Ca 0.73 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1swr s THR 114 Cb -0.37 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1swr s THR 114 CO 0.31 -0.40 1.09 0.42 -0.54 0.00 0.00 174.62 175.50 1swr s THR 115 N -3.36 2.50 -2.22 3.99 -4.23 -1.26 -4.90 115.64 106.16 1swr s THR 115 Ca 0.26 0.02 0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1swr s THR 115 Cb 0.05 -3.13 0.51 0.00 1.34 0.00 0.00 72.50 71.26 1swr s THR 115 CO 0.07 -0.16 1.64 -0.62 -0.54 0.00 0.00 174.62 175.02 1swr n GLU 116 N -3.09 1.50 0.28 3.99 4.71 -1.26 -2.50 120.64 124.28 1swr n GLU 116 Ca 0.07 -0.75 -0.12 0.00 -0.01 0.00 0.00 57.16 56.36 1swr n GLU 116 Cb 0.60 -1.38 -0.06 0.00 -1.01 0.00 0.00 31.44 29.59 1swr n GLU 116 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1swr h ALA 117 N 3.96 -0.79 -0.35 0.62 0.00 -2.07 -3.34 119.26 117.29 1swr h ALA 117 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1swr h ALA 117 Cb 0.34 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1swr h ALA 117 CO 0.00 -0.74 0.00 0.09 0.00 0.00 0.00 179.25 178.60 1swr n ASN 118 N -5.15 2.25 0.08 0.00 3.02 -1.06 -4.40 115.26 110.00 1swr n ASN 118 Ca -0.10 -2.10 0.08 0.00 -0.03 0.00 0.00 54.58 52.44 1swr n ASN 118 Cb 0.30 -0.32 0.36 0.00 -0.61 0.00 0.00 39.78 39.52 1swr n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swr n ALA 119 N 0.51 1.36 0.44 5.41 0.00 -1.04 -1.00 120.51 126.18 1swr n ALA 119 Ca 0.13 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1swr n ALA 119 Cb 0.39 -1.25 0.46 0.00 0.00 0.00 0.00 19.45 19.06 1swr n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1swr n ALA 120 N -1.65 1.72 -2.03 0.00 0.00 -1.26 -2.51 120.51 114.79 1swr n ALA 120 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1swr n ALA 120 Cb 0.11 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.27 1swr n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1swr n LYS 121 N -2.14 2.46 0.12 0.00 5.02 -0.17 -4.77 118.16 118.67 1swr n LYS 121 Ca 0.03 -3.64 0.07 0.00 -2.02 0.00 0.00 58.31 52.75 1swr n LYS 121 Cb 0.24 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 1.77 0.00 -3.15 4.39 4.64 -1.56 -3.46 113.55 116.17 1swr h SER 122 Ca 0.14 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.80 1swr h SER 122 Cb 1.37 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.11 1swr h SER 122 CO 0.40 0.22 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.83 1swr s THR 123 N -3.16 1.96 0.11 2.95 2.01 -1.26 0.63 115.64 118.89 1swr s THR 123 Ca 0.02 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 1swr s THR 123 Cb 0.08 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1swr s THR 123 CO 0.76 0.53 0.30 -0.76 -0.69 0.00 0.00 174.62 174.75 1swr s LEU 124 N 1.07 4.31 0.07 4.42 1.43 0.11 -4.92 118.68 125.16 1swr s LEU 124 Ca -0.01 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1swr s LEU 124 Cb -0.14 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 1swr s LEU 124 CO -0.07 0.09 -0.14 0.54 0.23 0.00 0.00 176.35 177.00 1swr s VAL 125 N -1.62 1.13 0.04 -1.59 0.11 -1.26 -0.41 120.40 116.80 1swr s VAL 125 Ca 0.38 -1.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1swr s VAL 125 Cb -0.12 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1swr s VAL 125 CO 0.27 -0.17 0.20 0.61 -3.33 0.00 0.00 175.10 172.68 1swr n GLY 126 N 1.41 1.21 2.96 6.54 0.00 -0.37 -4.99 105.19 111.95 1swr n GLY 126 Ca -0.20 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -5.41 0.36 -0.03 1.61 -3.43 -1.26 0.67 115.29 107.79 1swr s HIS 127 Ca 0.04 -0.21 0.03 0.00 -0.80 0.00 0.00 55.06 54.12 1swr s HIS 127 Cb -0.01 -0.23 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1swr s HIS 127 CO 0.01 -0.05 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.09 1swr s ASP 128 N -0.57 1.38 -0.24 7.38 1.01 -0.52 -4.96 116.67 120.16 1swr s ASP 128 Ca -0.03 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 52.96 1swr s ASP 128 Cb -0.04 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.46 1swr s ASP 128 CO -0.00 0.07 0.01 -0.89 0.21 0.00 0.00 175.17 174.56 1swr s THR 129 N 0.26 3.73 -0.21 -1.27 2.01 -1.26 -1.04 115.64 117.86 1swr s THR 129 Ca -0.05 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 1swr s THR 129 Cb -0.10 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1swr s THR 129 CO 0.01 0.35 0.13 -0.36 -0.69 0.00 0.00 174.62 174.05 1swr s PHE 130 N 1.52 3.37 0.16 4.92 0.08 -0.44 -3.85 117.98 123.73 1swr s PHE 130 Ca 0.05 0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.46 1swr s PHE 130 Cb -0.15 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1swr s PHE 130 CO -0.00 0.22 -0.17 0.95 -0.10 0.00 0.00 175.22 176.11 1swr s THR 131 N 0.53 1.76 0.03 0.64 -4.23 0.18 -1.46 115.64 113.10 1swr s THR 131 Ca 0.07 -1.93 0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1swr s THR 131 Cb -0.12 -1.83 0.29 0.00 1.34 0.00 0.00 72.50 72.18 1swr s THR 131 CO -0.00 -0.35 1.87 0.11 -0.54 0.00 0.00 174.62 175.71 1swr h LYS 132 N 3.21 0.00 0.00 3.99 1.79 -1.83 -0.47 116.57 123.26 1swr h LYS 132 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1swr h LYS 132 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1swr h LYS 132 CO 0.52 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 180.22