#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swc h ILE 17 N 0.00 1.31 -2.05 -0.61 2.04 -1.98 -3.45 117.51 112.77 1swc h ILE 17 Ca 0.00 -2.31 -0.63 0.00 1.00 0.00 0.00 64.86 62.91 1swc h ILE 17 Cb 0.00 2.40 0.07 0.00 -0.74 0.00 0.00 36.82 38.55 1swc h ILE 17 CO 0.00 0.71 0.52 0.41 0.00 0.00 0.00 178.15 179.79 1swc n THR 18 N -3.82 0.35 -0.91 -0.27 -1.04 -1.26 -4.79 114.28 102.54 1swc n THR 18 Ca -0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1swc n THR 18 Cb 0.88 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1swc n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swc n GLY 19 N 2.57 0.59 3.32 3.41 0.00 -0.51 -5.01 105.19 109.57 1swc n GLY 19 Ca 0.16 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1swc n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 20 N -2.79 2.83 0.09 2.61 2.01 -1.26 -1.27 115.64 117.85 1swc s THR 20 Ca 0.00 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.35 1swc s THR 20 Cb 0.00 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1swc s THR 20 CO 0.00 0.52 -0.22 0.26 -0.69 0.00 0.00 174.62 174.50 1swc s TRP 21 N 0.53 1.86 -0.01 4.92 0.52 0.69 -4.44 118.94 123.00 1swc s TRP 21 Ca -0.10 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.68 1swc s TRP 21 Cb -0.16 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1swc s TRP 21 CO 0.04 0.18 -0.17 0.71 0.02 0.00 0.00 176.95 177.73 1swc s TYR 22 N -1.04 1.50 0.35 -1.98 1.51 -0.15 -0.30 117.35 117.24 1swc s TYR 22 Ca 0.08 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1swc s TYR 22 Cb -0.10 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1swc s TYR 22 CO 0.04 -0.02 0.36 0.54 -1.11 0.00 0.00 175.55 175.36 1swc s ASN 23 N -0.46 5.41 0.08 2.29 4.22 -0.91 -0.43 114.94 125.14 1swc s ASN 23 Ca 0.06 -0.47 0.04 0.00 -2.14 0.00 0.00 52.86 50.36 1swc s ASN 23 Cb -0.07 -0.94 0.29 0.00 1.28 0.00 0.00 41.25 41.82 1swc s ASN 23 CO -0.00 -0.44 0.35 0.00 -2.04 0.00 0.00 177.10 174.96 1swc n GLN 24 N -1.48 -0.01 -1.27 3.55 0.00 -1.22 -1.58 117.38 115.36 1swc n GLN 24 Ca -0.00 0.30 -0.08 0.00 0.00 0.00 0.00 57.00 57.22 1swc n GLN 24 Cb 0.60 -0.54 0.12 0.00 0.00 0.00 0.00 30.24 30.41 1swc n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swc n LEU 25 N -3.51 3.81 0.00 2.61 4.77 -1.26 -4.99 117.00 118.42 1swc n LEU 25 Ca 0.08 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 1swc n LEU 25 Cb 0.28 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1swc n LEU 25 CO 0.00 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.41 1swc n GLY 26 N -0.93 1.91 3.79 -0.72 0.00 -0.62 -5.04 105.19 103.58 1swc n GLY 26 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1swc n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swc s SER 27 N -2.80 5.55 -0.04 1.61 0.01 -1.26 -4.84 113.70 111.93 1swc s SER 27 Ca 0.00 1.90 0.03 0.00 1.31 0.00 0.00 55.95 59.19 1swc s SER 27 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1swc s SER 27 CO 0.00 -1.33 -0.12 -0.89 0.41 0.00 0.00 173.24 171.32 1swc s THR 28 N -2.37 1.01 -0.07 1.44 2.01 -1.26 -2.13 115.64 114.27 1swc s THR 28 Ca 0.65 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1swc s THR 28 Cb -0.18 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1swc s THR 28 CO 0.38 0.31 -0.08 0.72 -0.69 0.00 0.00 174.62 175.26 1swc s PHE 29 N 0.26 1.17 -0.28 4.92 -0.12 0.58 0.59 117.98 125.11 1swc s PHE 29 Ca -0.06 -0.45 -0.07 0.00 -0.05 0.00 0.00 56.93 56.30 1swc s PHE 29 Cb -0.11 -0.96 -0.00 0.00 -0.63 0.00 0.00 43.02 41.32 1swc s PHE 29 CO 0.01 -0.32 0.07 0.42 -0.05 0.00 0.00 175.22 175.36 1swc s ILE 30 N 1.13 4.04 0.09 -4.49 1.01 -0.80 -0.22 121.20 121.96 1swc s ILE 30 Ca -0.07 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1swc s ILE 30 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1swc s ILE 30 CO -0.01 0.17 -0.13 0.54 0.00 0.00 0.00 174.94 175.51 1swc s VAL 31 N 1.53 1.11 -0.08 2.92 0.11 -0.40 -1.54 120.40 124.05 1swc s VAL 31 Ca 0.04 -1.49 -0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1swc s VAL 31 Cb -0.16 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1swc s VAL 31 CO 0.02 -0.36 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.48 1swc s THR 32 N -1.80 0.78 -0.38 5.04 2.01 0.19 -1.42 115.64 120.05 1swc s THR 32 Ca 0.02 -0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 1swc s THR 32 Cb -0.07 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1swc s THR 32 CO 0.02 0.31 0.60 0.00 -0.69 0.00 0.00 174.62 174.86 1swc s ALA 33 N 1.48 3.43 0.85 7.40 0.00 -1.26 -1.67 121.76 131.98 1swc s ALA 33 Ca -0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1swc s ALA 33 Cb -0.13 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 19.92 1swc s ALA 33 CO -0.04 -1.45 1.12 0.20 0.00 0.00 0.00 175.76 175.58 1swc s GLY 34 N 1.85 1.60 0.04 0.00 0.00 0.10 -4.92 107.32 105.99 1swc s GLY 34 Ca 0.22 -0.38 0.28 0.00 0.00 0.00 0.00 44.72 44.84 1swc s GLY 34 CO 0.16 0.11 1.81 0.00 0.00 0.00 0.00 173.10 175.17 1swc n ALA 35 N -3.57 2.52 1.04 3.20 0.00 -1.26 -2.69 120.51 119.75 1swc n ALA 35 Ca 0.07 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1swc n ALA 35 Cb 0.58 -1.41 0.60 0.00 0.00 0.00 0.00 19.45 19.22 1swc n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1swc n ASP 36 N -1.65 0.00 0.00 0.00 5.75 -1.26 -4.91 116.55 114.48 1swc n ASP 36 Ca 0.06 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1swc n ASP 36 Cb 0.36 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1swc n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swc n GLY 37 N 1.11 0.75 3.75 6.12 0.00 -1.09 -5.01 105.19 110.81 1swc n GLY 37 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1swc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc s ALA 38 N -2.44 3.34 -0.10 4.61 0.00 -1.26 -1.04 121.76 124.86 1swc s ALA 38 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1swc s ALA 38 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1swc s ALA 38 CO 0.00 0.16 -0.18 -0.51 0.00 0.00 0.00 175.76 175.23 1swc s LEU 39 N -0.81 2.45 0.05 0.00 1.02 -0.43 0.03 118.68 120.98 1swc s LEU 39 Ca 0.41 -0.41 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 1swc s LEU 39 Cb -0.24 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1swc s LEU 39 CO 0.30 0.19 -0.03 0.42 0.02 0.00 0.00 176.35 177.24 1swc s THR 40 N 0.19 0.25 -4.46 5.49 -4.23 -0.67 -1.65 115.64 110.55 1swc s THR 40 Ca -0.11 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1swc s THR 40 Cb -0.16 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1swc s THR 40 CO 0.06 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 1swc n GLY 41 N 0.32 -0.51 2.98 3.99 0.00 -1.20 0.53 105.19 111.30 1swc n GLY 41 Ca -0.15 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1swc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 42 N -3.27 0.16 -0.19 2.61 2.01 -0.59 -1.57 115.64 114.80 1swc s THR 42 Ca 0.00 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1swc s THR 42 Cb 0.00 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1swc s THR 42 CO 0.00 -0.43 -0.04 -0.47 -0.69 0.00 0.00 174.62 172.99 1swc s TYR 43 N -1.29 2.97 0.00 4.92 5.04 0.11 -1.91 117.35 127.19 1swc s TYR 43 Ca -0.13 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 1swc s TYR 43 Cb -0.09 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.19 1swc s TYR 43 CO -0.01 -0.31 0.00 0.39 -1.34 0.00 0.00 175.55 174.28 1swc n GLU 44 N 4.19 0.82 0.00 4.97 1.02 0.20 -0.66 120.64 131.18 1swc n GLU 44 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1swc n GLU 44 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1swc n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1swc n GLY 48 N 1.17 0.93 3.78 0.62 0.00 -1.26 -4.53 105.19 105.89 1swc n GLY 48 Ca 0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1swc n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1swc s ASN 49 N -4.00 7.38 0.33 1.61 4.22 -1.26 -4.95 114.94 118.27 1swc s ASN 49 Ca 0.00 1.64 0.12 0.00 -2.14 0.00 0.00 52.86 52.47 1swc s ASN 49 Cb 0.00 -2.50 0.96 0.00 1.28 0.00 0.00 41.25 40.99 1swc s ASN 49 CO 0.00 0.20 1.72 0.00 -2.04 0.00 0.00 177.10 176.98 1swc h ALA 50 N 4.39 1.88 -0.00 3.54 0.00 -2.00 -1.16 119.26 125.91 1swc h ALA 50 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1swc h ALA 50 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1swc h ALA 50 CO 0.66 -0.38 -0.00 -0.85 0.00 0.00 0.00 179.25 178.68 1swc n GLU 51 N -4.90 1.01 -0.11 0.00 0.00 -1.26 -2.39 120.64 112.99 1swc n GLU 51 Ca 0.28 -0.06 0.08 0.00 0.00 0.00 0.00 57.16 57.46 1swc n GLU 51 Cb 0.82 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.89 1swc n GLU 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1swc n SER 52 N -0.94 2.73 -4.71 -1.84 7.64 -0.44 -4.80 113.62 111.25 1swc n SER 52 Ca 0.23 -1.80 -0.35 0.00 1.01 0.00 0.00 58.87 57.96 1swc n SER 52 Cb 0.13 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1swc n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1swc s ARG 53 N -1.16 3.82 0.06 1.43 0.52 -1.00 -4.16 118.95 118.46 1swc s ARG 53 Ca 0.24 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1swc s ARG 53 Cb 0.15 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1swc s ARG 53 CO 0.20 0.43 -0.12 0.71 0.02 0.00 0.00 175.30 176.54 1swc s TYR 54 N -0.04 1.03 0.22 -0.53 1.51 0.16 -4.80 117.35 114.89 1swc s TYR 54 Ca 0.08 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1swc s TYR 54 Cb -0.12 -0.59 -0.08 0.00 -0.11 0.00 0.00 41.96 41.06 1swc s TYR 54 CO 0.01 0.01 1.07 0.08 -1.11 0.00 0.00 175.55 175.60 1swc s VAL 55 N -1.29 3.80 0.17 0.71 1.01 -1.26 0.05 120.40 123.58 1swc s VAL 55 Ca -0.05 1.67 0.10 0.00 0.00 0.00 0.00 61.98 63.71 1swc s VAL 55 Cb -0.10 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1swc s VAL 55 CO 0.02 0.34 -0.21 -1.48 0.00 0.00 0.00 175.10 173.77 1swc s LEU 56 N -0.83 2.56 0.00 3.92 0.05 -0.61 -4.31 118.68 119.46 1swc s LEU 56 Ca 0.46 -0.74 -0.08 0.00 0.05 0.00 0.00 54.13 53.82 1swc s LEU 56 Cb -0.29 -1.33 0.00 0.00 -2.05 0.00 0.00 46.19 42.52 1swc s LEU 56 CO 0.36 0.14 0.16 0.28 -0.55 0.00 0.00 176.35 176.74 1swc s THR 57 N -1.47 0.08 0.00 5.48 -1.32 -0.91 -3.24 115.64 114.26 1swc s THR 57 Ca 0.20 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1swc s THR 57 Cb -0.09 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1swc s THR 57 CO 0.10 -0.38 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1swc n GLY 58 N 1.36 1.82 3.01 6.08 0.00 -0.66 -0.61 105.19 116.19 1swc n GLY 58 Ca -0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1swc n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swc s ARG 59 N -0.88 0.40 0.14 1.61 1.81 -0.54 -1.32 118.95 120.17 1swc s ARG 59 Ca 0.00 -0.77 -0.03 0.00 -1.72 0.00 0.00 55.73 53.22 1swc s ARG 59 Cb 0.00 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1swc s ARG 59 CO 0.00 -0.06 0.10 1.52 -0.68 0.00 0.00 175.30 176.19 1swc s TYR 60 N -2.03 0.76 -0.50 -0.53 1.13 -0.21 -1.06 117.35 114.91 1swc s TYR 60 Ca -0.10 -1.13 -0.28 0.00 -1.41 0.00 0.00 57.07 54.14 1swc s TYR 60 Cb -0.06 -0.39 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1swc s TYR 60 CO -0.03 -0.56 1.39 0.34 -2.51 0.00 0.00 175.55 174.18 1swc s ASP 61 N -3.03 6.25 0.00 -0.18 -1.08 -0.13 -4.67 116.67 113.84 1swc s ASP 61 Ca 0.22 0.51 0.18 0.00 -0.52 0.00 0.00 52.55 52.95 1swc s ASP 61 Cb 0.07 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.84 1swc s ASP 61 CO 0.01 -1.56 1.58 -1.54 0.52 0.00 0.00 175.17 174.18 1swc n SER 62 N 9.13 0.73 -2.98 -0.34 3.41 -1.26 -4.15 113.62 118.16 1swc n SER 62 Ca 0.14 -1.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.00 1swc n SER 62 Cb 0.49 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1swc n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swc n ALA 63 N -0.28 0.60 -0.79 7.33 0.00 -1.26 -5.05 120.51 121.07 1swc n ALA 63 Ca 0.14 -2.45 -0.30 0.00 0.00 0.00 0.00 53.44 50.83 1swc n ALA 63 Cb 0.17 -1.06 0.18 0.00 0.00 0.00 0.00 19.45 18.74 1swc n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swc s PRO 64 N -0.48 0.60 0.62 0.00 0.04 -1.26 -4.98 135.00 129.54 1swc s PRO 64 Ca 0.33 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1swc s PRO 64 Cb 0.23 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 33.04 1swc s PRO 64 CO -0.15 -2.80 1.31 0.00 0.04 0.00 0.00 177.00 175.40 1swc n ALA 65 N -4.31 1.27 -2.65 8.56 0.00 -1.26 -4.96 120.51 117.16 1swc n ALA 65 Ca 0.08 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 1swc n ALA 65 Cb 0.53 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 1swc n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1swc n THR 66 N -1.67 4.42 -1.19 0.00 -1.04 -1.26 -4.57 114.28 108.96 1swc n THR 66 Ca 0.14 -5.55 0.00 0.00 -2.04 0.00 0.00 64.05 56.60 1swc n THR 66 Cb 0.47 -1.44 0.01 0.00 -1.82 0.00 0.00 70.33 67.55 1swc n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1swc n ASP 67 N -0.22 0.25 0.00 8.00 5.68 -1.26 -4.97 116.55 124.03 1swc n ASP 67 Ca 0.41 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1swc n ASP 67 Cb 0.34 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1swc n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swc n GLY 68 N -0.09 0.51 3.80 6.12 0.00 -1.26 -5.08 105.19 109.19 1swc n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1swc n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swc s SER 69 N -2.85 5.81 0.99 1.61 0.01 -1.26 -5.05 113.70 112.97 1swc s SER 69 Ca 0.00 1.82 -0.15 0.00 1.31 0.00 0.00 55.95 58.92 1swc s SER 69 Cb 0.00 -2.53 0.21 0.00 0.21 0.00 0.00 66.02 63.90 1swc s SER 69 CO 0.00 -1.15 1.23 0.61 0.41 0.00 0.00 173.24 174.34 1swc n GLY 70 N -0.97 -1.44 3.40 3.44 0.00 -1.26 -4.87 105.19 103.49 1swc n GLY 70 Ca 0.09 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 1swc n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 71 N -3.67 4.49 0.39 2.61 2.01 -0.29 -4.77 115.64 116.42 1swc s THR 71 Ca 0.70 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 1swc s THR 71 Cb -0.02 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 1swc s THR 71 CO 0.49 -0.04 1.26 0.00 -0.69 0.00 0.00 174.62 175.64 1swc s ALA 72 N 1.57 3.26 0.17 7.40 0.00 -1.26 -0.07 121.76 132.83 1swc s ALA 72 Ca 0.03 1.16 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1swc s ALA 72 Cb -0.18 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.54 1swc s ALA 72 CO 0.06 -0.72 0.74 -0.48 0.00 0.00 0.00 175.76 175.36 1swc s LEU 73 N -2.36 -0.38 0.01 0.00 2.34 -0.71 -0.95 118.68 116.63 1swc s LEU 73 Ca 0.56 -0.27 -0.28 0.00 0.06 0.00 0.00 54.13 54.21 1swc s LEU 73 Cb -0.36 2.49 0.07 0.00 -0.56 0.00 0.00 46.19 47.83 1swc s LEU 73 CO 0.46 -1.04 0.63 -0.83 -1.06 0.00 0.00 176.35 174.52 1swc s GLY 74 N -2.80 -0.55 0.19 -3.48 0.00 -0.23 -1.94 107.32 98.51 1swc s GLY 74 Ca 0.07 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 45.68 1swc s GLY 74 CO -0.03 0.66 0.37 0.66 0.00 0.00 0.00 173.10 174.76 1swc s TRP 75 N -1.94 0.31 0.01 1.90 -2.14 -0.74 -1.47 118.94 114.88 1swc s TRP 75 Ca -0.08 -0.67 0.03 0.00 2.66 0.00 0.00 56.10 58.05 1swc s TRP 75 Cb -0.00 0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.42 1swc s TRP 75 CO 0.03 -0.82 -0.11 0.99 -2.66 0.00 0.00 176.95 174.38 1swc s THR 76 N -3.97 0.85 -0.10 0.66 2.01 0.22 -0.93 115.64 114.38 1swc s THR 76 Ca 0.17 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1swc s THR 76 Cb 0.02 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.80 1swc s THR 76 CO 0.02 0.07 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.28 1swc s VAL 77 N -0.56 0.80 -0.16 3.82 1.01 -0.44 -2.14 120.40 122.72 1swc s VAL 77 Ca 0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1swc s VAL 77 Cb -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1swc s VAL 77 CO 0.00 0.33 0.42 0.00 0.00 0.00 0.00 175.10 175.85 1swc s ALA 78 N 1.73 3.53 -1.43 5.51 0.00 -1.26 -0.40 121.76 129.44 1swc s ALA 78 Ca 0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1swc s ALA 78 Cb -0.13 -2.61 0.05 0.00 0.00 0.00 0.00 23.12 20.43 1swc s ALA 78 CO -0.07 -0.14 2.49 0.91 0.00 0.00 0.00 175.76 178.96 1swc n TRP 79 N 4.06 2.68 -3.81 0.00 7.02 -0.42 -4.74 117.44 122.23 1swc n TRP 79 Ca -0.08 -2.92 -0.19 0.00 -1.02 0.00 0.00 57.50 53.28 1swc n TRP 79 Cb 0.51 -2.14 -0.17 0.00 -2.42 0.00 0.00 31.31 27.09 1swc n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swc s LYS 80 N 0.60 0.25 0.00 -0.99 2.20 -1.26 -1.25 119.74 119.29 1swc s LYS 80 Ca 0.57 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1swc s LYS 80 Cb 0.17 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1swc s LYS 80 CO -0.07 -0.23 0.00 0.27 -0.36 0.00 0.00 175.35 174.96 1swc n ASN 81 N 4.73 0.88 0.25 1.43 0.23 0.64 -4.81 115.26 118.61 1swc n ASN 81 Ca -0.15 -0.78 0.16 0.00 -0.53 0.00 0.00 54.58 53.29 1swc n ASN 81 Cb 0.50 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.08 1swc n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swc h ASN 82 N 0.00 0.00 0.02 0.53 4.21 -1.93 -3.24 115.58 115.17 1swc h ASN 82 Ca 0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 1swc h ASN 82 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 1swc h ASN 82 CO 0.00 0.00 -2.41 -1.22 -1.29 0.00 0.00 177.43 172.51 1swc n TYR 83 N -3.79 0.10 -3.87 1.19 4.01 -1.26 -5.04 117.16 108.50 1swc n TYR 83 Ca -0.01 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1swc n TYR 83 Cb 0.22 -1.01 -0.05 0.00 -0.31 0.00 0.00 39.34 38.18 1swc n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swc s ARG 84 N -2.52 1.34 -0.21 -0.72 3.03 -1.22 -5.14 118.95 113.51 1swc s ARG 84 Ca -0.27 -1.05 -0.04 0.00 2.03 0.00 0.00 55.73 56.40 1swc s ARG 84 Cb 0.08 0.46 0.10 0.00 -1.03 0.00 0.00 34.95 34.57 1swc s ARG 84 CO 0.68 -0.54 0.29 1.21 -1.13 0.00 0.00 175.30 175.80 1swc s ASN 85 N -2.93 0.83 0.00 -2.89 3.84 -1.26 -0.26 114.94 112.27 1swc s ASN 85 Ca 0.15 0.05 0.20 0.00 0.21 0.00 0.00 52.86 53.46 1swc s ASN 85 Cb 0.00 0.70 0.53 0.00 -0.55 0.00 0.00 41.25 41.94 1swc s ASN 85 CO 0.01 -0.31 1.44 0.00 -2.79 0.00 0.00 177.10 175.45 1swc n ALA 86 N 5.34 2.42 -4.02 1.71 0.00 -0.38 -4.96 120.51 120.62 1swc n ALA 86 Ca -0.05 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 52.09 1swc n ALA 86 Cb 0.50 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1swc n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swc n HIS 87 N 1.21 -1.55 -3.64 0.00 -0.00 -1.26 -4.84 115.22 105.14 1swc n HIS 87 Ca 0.19 0.54 -0.10 0.00 -0.00 0.00 0.00 57.72 58.35 1swc n HIS 87 Cb 0.51 -3.28 -0.03 0.00 -0.00 0.00 0.00 29.99 27.19 1swc n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swc s SER 88 N -4.07 -0.38 -0.03 0.41 1.04 -1.26 -1.11 113.70 108.30 1swc s SER 88 Ca 0.17 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 1swc s SER 88 Cb -0.08 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1swc s SER 88 CO 0.93 -1.08 0.15 0.00 0.98 0.00 0.00 173.24 174.22 1swc s ALA 89 N -3.83 -0.37 -0.05 5.32 0.00 -0.49 -1.30 121.76 121.03 1swc s ALA 89 Ca 0.06 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.25 1swc s ALA 89 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1swc s ALA 89 CO -0.05 -0.14 -0.19 0.99 0.00 0.00 0.00 175.76 176.38 1swc s THR 90 N -0.60 2.68 -0.06 0.00 2.01 0.46 -0.96 115.64 119.17 1swc s THR 90 Ca -0.07 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1swc s THR 90 Cb -0.04 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1swc s THR 90 CO 0.01 0.58 -0.20 0.42 -0.69 0.00 0.00 174.62 174.74 1swc s THR 91 N -0.57 2.54 -0.12 -0.82 -4.23 0.12 -1.33 115.64 111.22 1swc s THR 91 Ca 0.08 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1swc s THR 91 Cb -0.11 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 1swc s THR 91 CO 0.01 0.57 -0.14 0.26 -0.54 0.00 0.00 174.62 174.78 1swc s TRP 92 N -0.34 2.79 -0.09 3.99 0.51 -0.10 -0.80 118.94 124.88 1swc s TRP 92 Ca 0.02 -0.59 0.03 0.00 -2.12 0.00 0.00 56.10 53.44 1swc s TRP 92 Cb -0.12 -1.81 0.01 0.00 -0.81 0.00 0.00 33.47 30.74 1swc s TRP 92 CO 0.02 -0.16 -0.18 0.45 -0.51 0.00 0.00 176.95 176.57 1swc s SER 93 N 0.19 2.48 0.00 2.95 0.15 0.39 -1.79 113.70 118.08 1swc s SER 93 Ca -0.08 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1swc s SER 93 Cb -0.15 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1swc s SER 93 CO 0.05 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1swc n GLY 94 N 3.83 1.39 3.17 9.45 0.00 -0.82 -1.15 105.19 121.06 1swc n GLY 94 Ca -0.20 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1swc n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swc s GLN 95 N 1.55 0.67 -0.11 1.61 -2.07 -0.41 -1.74 119.66 119.15 1swc s GLN 95 Ca 0.00 -0.61 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 1swc s GLN 95 Cb 0.00 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 1swc s GLN 95 CO 0.00 -0.19 0.25 -0.47 -1.32 0.00 0.00 175.29 173.56 1swc s TYR 96 N -2.45 3.58 -0.19 9.60 5.04 0.89 -1.68 117.35 132.14 1swc s TYR 96 Ca -0.06 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 1swc s TYR 96 Cb -0.02 -2.16 0.04 0.00 0.35 0.00 0.00 41.96 40.18 1swc s TYR 96 CO -0.03 0.54 -0.09 0.08 -1.34 0.00 0.00 175.55 174.71 1swc s VAL 97 N -0.52 1.49 0.00 3.14 1.01 -0.01 -1.13 120.40 124.37 1swc s VAL 97 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1swc s VAL 97 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1swc s VAL 97 CO 0.06 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1swc n GLY 98 N 4.74 0.68 0.51 4.51 0.00 -1.26 -1.05 105.19 113.31 1swc n GLY 98 Ca -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1swc n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swc n GLY 99 N 5.00 -0.01 0.00 -0.02 0.00 -1.26 -4.49 105.19 104.40 1swc n GLY 99 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1swc n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc n ALA 100 N 0.39 -0.01 -3.23 4.61 0.00 -1.26 -3.48 120.51 117.52 1swc n ALA 100 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1swc n ALA 100 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 1swc n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swc s GLU 101 N -1.30 2.71 0.33 0.00 -6.30 -1.26 -5.05 118.70 107.83 1swc s GLU 101 Ca 0.00 -1.51 -0.29 0.00 -2.50 0.00 0.00 54.97 50.67 1swc s GLU 101 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 34.13 30.08 1swc s GLU 101 CO 0.00 -1.05 1.39 0.00 0.02 0.00 0.00 175.26 175.61 1swc s ALA 102 N 1.49 3.55 0.05 6.30 0.00 -1.23 -4.88 121.76 127.03 1swc s ALA 102 Ca 0.04 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1swc s ALA 102 Cb -0.25 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1swc s ALA 102 CO 0.03 -0.78 -0.01 -0.98 0.00 0.00 0.00 175.76 174.02 1swc s ARG 103 N -1.59 0.57 -0.22 0.00 1.70 -0.22 -3.91 118.95 115.29 1swc s ARG 103 Ca 0.52 -1.07 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 1swc s ARG 103 Cb -0.42 0.20 0.05 0.00 -0.57 0.00 0.00 34.95 34.21 1swc s ARG 103 CO 0.54 -0.11 -0.12 0.42 -1.08 0.00 0.00 175.30 174.94 1swc s ILE 104 N -3.42 1.96 -0.21 4.99 1.01 -0.81 -0.83 121.20 123.89 1swc s ILE 104 Ca 0.02 -1.29 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 1swc s ILE 104 Cb 0.04 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 1swc s ILE 104 CO -0.08 0.14 0.22 0.20 0.00 0.00 0.00 174.94 175.42 1swc s ASN 105 N 1.24 6.25 0.13 3.58 0.01 -0.68 -1.11 114.94 124.37 1swc s ASN 105 Ca -0.04 0.28 0.04 0.00 -0.71 0.00 0.00 52.86 52.43 1swc s ASN 105 Cb -0.17 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1swc s ASN 105 CO -0.08 0.08 -0.09 0.42 -1.51 0.00 0.00 177.10 175.92 1swc s THR 106 N 0.80 1.02 0.08 1.60 -4.23 -0.07 -1.29 115.64 113.55 1swc s THR 106 Ca 0.11 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1swc s THR 106 Cb -0.13 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1swc s THR 106 CO 0.03 -0.74 -0.14 -1.10 -0.54 0.00 0.00 174.62 172.13 1swc s GLN 107 N -3.60 2.05 0.05 3.99 -1.52 -0.30 -1.91 119.66 118.44 1swc s GLN 107 Ca 0.14 -1.03 0.01 0.00 -1.95 0.00 0.00 55.36 52.52 1swc s GLN 107 Cb 0.02 -2.24 -0.03 0.00 -0.22 0.00 0.00 33.01 30.54 1swc s GLN 107 CO -0.01 0.52 -0.05 1.67 -0.25 0.00 0.00 175.29 177.17 1swc s TRP 108 N -1.10 0.58 -0.10 0.91 1.48 -0.61 -0.46 118.94 119.65 1swc s TRP 108 Ca 0.18 -0.80 0.04 0.00 -1.06 0.00 0.00 56.10 54.45 1swc s TRP 108 Cb -0.11 -0.38 0.00 0.00 -1.16 0.00 0.00 33.47 31.83 1swc s TRP 108 CO 0.10 -0.22 -0.22 -0.51 -4.06 0.00 0.00 176.95 172.04 1swc s LEU 109 N -2.38 2.01 -0.25 -4.66 1.43 0.02 -1.86 118.68 112.99 1swc s LEU 109 Ca -0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1swc s LEU 109 Cb -0.00 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1swc s LEU 109 CO -0.05 0.14 -0.01 -0.22 0.23 0.00 0.00 176.35 176.44 1swc s LEU 110 N 0.41 3.24 -0.11 1.79 1.98 -0.26 -0.71 118.68 125.03 1swc s LEU 110 Ca -0.18 -0.57 -0.00 0.00 -2.89 0.00 0.00 54.13 50.49 1swc s LEU 110 Cb -0.18 -1.77 -0.03 0.00 0.66 0.00 0.00 46.19 44.88 1swc s LEU 110 CO 0.08 -0.09 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.48 1swc s THR 111 N 1.46 3.55 0.09 3.68 2.01 -0.13 -0.45 115.64 125.85 1swc s THR 111 Ca 0.04 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1swc s THR 111 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1swc s THR 111 CO -0.02 0.55 0.05 -0.44 -0.69 0.00 0.00 174.62 174.07 1swc s SER 112 N -0.20 5.30 0.06 3.53 0.01 -0.10 -1.40 113.70 120.89 1swc s SER 112 Ca 0.02 -0.09 -0.31 0.00 1.31 0.00 0.00 55.95 56.88 1swc s SER 112 Cb -0.13 -1.35 -0.07 0.00 0.21 0.00 0.00 66.02 64.68 1swc s SER 112 CO 0.03 0.17 1.41 -0.83 0.41 0.00 0.00 173.24 174.42 1swc s GLY 113 N -2.40 1.90 0.10 3.44 0.00 -0.27 -4.86 107.32 105.24 1swc s GLY 113 Ca 0.28 1.00 0.03 0.00 0.00 0.00 0.00 44.72 46.03 1swc s GLY 113 CO 0.20 2.46 -0.08 -0.51 0.00 0.00 0.00 173.10 175.17 1swc s THR 114 N 1.83 0.80 0.95 0.90 -4.23 -1.26 -5.02 115.64 109.60 1swc s THR 114 Ca 0.65 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 1swc s THR 114 Cb -0.34 -1.57 0.16 0.00 1.34 0.00 0.00 72.50 72.08 1swc s THR 114 CO 0.29 -0.76 1.13 0.42 -0.54 0.00 0.00 174.62 175.15 1swc s THR 115 N -3.20 1.98 0.37 3.99 -4.23 -1.26 -4.84 115.64 108.45 1swc s THR 115 Ca 0.10 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.78 1swc s THR 115 Cb 0.02 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.33 1swc s THR 115 CO -0.03 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 175.62 1swc h GLU 116 N -1.64 0.00 -0.63 3.99 5.08 -2.01 -2.63 114.58 116.74 1swc h GLU 116 Ca -0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1swc h GLU 116 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1swc h GLU 116 CO 0.59 0.29 0.25 0.00 -1.00 0.00 0.00 179.01 179.15 1swc h ALA 117 N 1.71 0.81 -0.68 3.43 0.00 -2.06 -3.09 119.26 119.39 1swc h ALA 117 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1swc h ALA 117 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1swc h ALA 117 CO 0.04 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1swc n ASN 118 N -4.44 3.66 0.24 0.00 3.02 -1.02 -4.53 115.26 112.19 1swc n ASN 118 Ca 0.04 -2.02 0.11 0.00 -0.03 0.00 0.00 54.58 52.68 1swc n ASN 118 Cb 0.17 -0.46 0.70 0.00 -0.61 0.00 0.00 39.78 39.58 1swc n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swc h ALA 119 N 4.24 1.96 0.00 5.41 0.00 -1.40 -1.71 119.26 127.76 1swc h ALA 119 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1swc h ALA 119 Cb 0.93 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1swc h ALA 119 CO 0.01 -0.08 -0.16 0.11 0.00 0.00 0.00 179.25 179.13 1swc h TRP 120 N 0.00 0.00 -0.75 0.00 5.08 -1.83 -2.31 115.95 116.14 1swc h TRP 120 Ca 0.03 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.51 1swc h TRP 120 Cb 0.12 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 26.00 1swc h TRP 120 CO 0.00 0.16 0.06 0.36 -1.28 0.00 0.00 178.44 177.74 1swc n LYS 121 N -4.24 2.71 0.00 0.12 2.85 -0.65 -4.69 118.16 114.27 1swc n LYS 121 Ca -0.02 -3.52 0.13 0.00 -1.05 0.00 0.00 58.31 53.84 1swc n LYS 121 Cb 0.23 -2.15 0.38 0.00 -0.65 0.00 0.00 35.03 32.84 1swc n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swc n SER 122 N -0.93 0.56 -3.95 -5.58 3.41 -0.87 -4.87 113.62 101.39 1swc n SER 122 Ca 0.49 -0.36 -0.27 0.00 -0.26 0.00 0.00 58.87 58.46 1swc n SER 122 Cb 0.95 0.08 -0.17 0.00 -0.26 0.00 0.00 64.21 64.81 1swc n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swc s THR 123 N -2.80 1.15 0.15 6.66 2.01 -1.26 -0.93 115.64 120.63 1swc s THR 123 Ca 0.17 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1swc s THR 123 Cb 0.18 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1swc s THR 123 CO 0.60 0.39 0.38 -0.76 -0.69 0.00 0.00 174.62 174.53 1swc s LEU 124 N 1.50 4.26 0.09 4.42 1.43 0.40 -4.93 118.68 125.85 1swc s LEU 124 Ca 0.02 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 1swc s LEU 124 Cb -0.13 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1swc s LEU 124 CO -0.07 0.04 -0.20 0.54 0.23 0.00 0.00 176.35 176.89 1swc s VAL 125 N -1.68 1.64 0.00 -1.59 0.11 -1.26 -1.10 120.40 116.52 1swc s VAL 125 Ca 0.41 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1swc s VAL 125 Cb -0.12 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1swc s VAL 125 CO 0.25 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1swc n GLY 126 N 1.28 2.14 3.15 6.54 0.00 -0.78 -4.99 105.19 112.54 1swc n GLY 126 Ca -0.19 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 1swc n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swc s HIS 127 N -7.31 0.01 -0.02 1.61 -3.43 -1.26 -1.57 115.29 103.32 1swc s HIS 127 Ca 0.00 -0.10 -0.05 0.00 -0.80 0.00 0.00 55.06 54.11 1swc s HIS 127 Cb 0.00 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 1swc s HIS 127 CO 0.00 -0.35 0.11 -0.51 -2.00 0.00 0.00 174.74 171.99 1swc s ASP 128 N -1.59 -0.03 -0.08 7.38 1.01 -0.80 -4.96 116.67 117.60 1swc s ASP 128 Ca -0.12 0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.18 1swc s ASP 128 Cb -0.05 0.22 0.00 0.00 1.01 0.00 0.00 42.92 44.10 1swc s ASP 128 CO 0.00 -0.18 -0.18 -0.89 0.21 0.00 0.00 175.17 174.13 1swc s THR 129 N -0.61 1.60 0.02 -1.27 2.01 -1.26 -0.90 115.64 115.23 1swc s THR 129 Ca -0.07 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1swc s THR 129 Cb -0.04 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1swc s THR 129 CO 0.00 0.46 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.94 1swc s PHE 130 N 0.43 2.80 0.08 4.92 0.08 -0.26 -3.38 117.98 122.65 1swc s PHE 130 Ca -0.15 -0.10 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1swc s PHE 130 Cb -0.16 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1swc s PHE 130 CO 0.06 0.34 -0.25 0.99 -0.10 0.00 0.00 175.22 176.26 1swc s THR 131 N -0.98 2.33 -2.00 0.64 2.01 0.42 -1.93 115.64 116.14 1swc s THR 131 Ca 0.17 -1.52 0.31 0.00 0.31 0.00 0.00 61.69 60.97 1swc s THR 131 Cb -0.11 -1.98 0.89 0.00 0.01 0.00 0.00 72.50 71.31 1swc s THR 131 CO 0.07 0.23 2.20 1.17 -0.69 0.00 0.00 174.62 177.61