#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swq h ILE 17 N 0.00 1.31 -2.10 -0.61 2.04 -1.98 -3.44 117.51 112.72 1swq h ILE 17 Ca 0.00 -2.19 -0.62 0.00 1.00 0.00 0.00 64.86 63.05 1swq h ILE 17 Cb 0.00 2.24 0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1swq h ILE 17 CO 0.00 0.68 0.58 0.41 0.00 0.00 0.00 178.15 179.82 1swq n THR 18 N -3.86 0.28 -0.87 -0.27 -1.04 -1.26 -4.79 114.28 102.48 1swq n THR 18 Ca -0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1swq n THR 18 Cb 0.82 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1swq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swq n GLY 19 N 2.72 -0.10 3.48 3.41 0.00 -0.53 -4.99 105.19 109.17 1swq n GLY 19 Ca 0.16 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1swq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swq s THR 20 N -1.96 4.40 0.15 2.61 2.01 -1.26 -0.67 115.64 120.93 1swq s THR 20 Ca 0.00 -0.15 0.10 0.00 0.31 0.00 0.00 61.69 61.95 1swq s THR 20 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1swq s THR 20 CO 0.00 0.35 -0.23 0.26 -0.69 0.00 0.00 174.62 174.31 1swq s TRP 21 N 1.45 2.09 -0.02 4.92 0.52 0.13 -4.60 118.94 123.42 1swq s TRP 21 Ca 0.06 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.81 1swq s TRP 21 Cb -0.15 -1.09 -0.00 0.00 -1.15 0.00 0.00 33.47 31.08 1swq s TRP 21 CO 0.04 0.36 -0.12 0.71 0.02 0.00 0.00 176.95 177.95 1swq s TYR 22 N -1.47 1.15 0.67 -1.98 2.02 0.37 -0.50 117.35 117.62 1swq s TYR 22 Ca 0.15 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1swq s TYR 22 Cb -0.08 -0.77 0.11 0.00 -0.40 0.00 0.00 41.96 40.81 1swq s TYR 22 CO 0.07 -0.07 0.92 0.54 -1.57 0.00 0.00 175.55 175.44 1swq s ASN 23 N -0.08 4.61 0.00 2.29 4.22 -0.78 -1.22 114.94 123.98 1swq s ASN 23 Ca 0.01 -0.45 0.10 0.00 -2.14 0.00 0.00 52.86 50.38 1swq s ASN 23 Cb -0.07 -0.02 0.42 0.00 1.28 0.00 0.00 41.25 42.86 1swq s ASN 23 CO 0.00 -1.67 1.30 0.00 -2.04 0.00 0.00 177.10 174.69 1swq n GLN 24 N -2.64 0.02 -0.36 3.55 0.00 -1.17 -1.89 117.38 114.88 1swq n GLN 24 Ca 0.14 0.32 0.08 0.00 0.00 0.00 0.00 57.00 57.54 1swq n GLN 24 Cb 0.61 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.57 1swq n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swq n LEU 25 N -1.47 3.56 -0.59 2.61 4.77 -1.26 -4.95 117.00 119.67 1swq n LEU 25 Ca 0.03 -2.79 -0.07 0.00 -0.03 0.00 0.00 56.01 53.14 1swq n LEU 25 Cb 0.11 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1swq n LEU 25 CO 0.09 0.68 -0.07 0.61 -1.33 0.00 0.00 177.39 177.37 1swq n GLY 26 N -0.34 0.87 3.84 -0.72 0.00 -0.79 -5.03 105.19 103.02 1swq n GLY 26 Ca 0.19 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1swq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 27 N -2.90 6.61 -0.06 1.61 0.01 -1.26 -4.86 113.70 112.85 1swq s SER 27 Ca 0.00 1.57 0.06 0.00 1.31 0.00 0.00 55.95 58.89 1swq s SER 27 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1swq s SER 27 CO 0.00 -0.59 -0.25 -0.89 0.41 0.00 0.00 173.24 171.92 1swq s THR 28 N -2.63 2.05 -0.30 1.44 2.01 -0.34 -1.87 115.64 116.00 1swq s THR 28 Ca 0.59 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1swq s THR 28 Cb -0.10 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.75 1swq s THR 28 CO 0.31 0.57 -0.02 0.12 -0.69 0.00 0.00 174.62 174.91 1swq s PHE 29 N -0.08 3.49 -0.33 4.92 5.36 0.35 -0.46 117.98 131.23 1swq s PHE 29 Ca -0.06 -2.57 -0.10 0.00 -0.96 0.00 0.00 56.93 53.24 1swq s PHE 29 Cb -0.14 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 1swq s PHE 29 CO 0.04 -0.91 0.18 0.42 -1.46 0.00 0.00 175.22 173.49 1swq s ILE 30 N 1.03 4.66 0.08 3.12 1.01 0.01 0.18 121.20 131.29 1swq s ILE 30 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1swq s ILE 30 Cb -0.20 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1swq s ILE 30 CO -0.06 -0.02 -0.15 0.54 0.00 0.00 0.00 174.94 175.25 1swq s VAL 31 N 1.61 1.19 -0.18 2.92 0.11 0.16 -1.63 120.40 124.58 1swq s VAL 31 Ca 0.04 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 57.71 1swq s VAL 31 Cb -0.18 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 1swq s VAL 31 CO 0.07 -0.22 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.62 1swq s THR 32 N -1.33 3.07 -0.57 5.04 2.01 0.17 -1.46 115.64 122.58 1swq s THR 32 Ca -0.00 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1swq s THR 32 Cb -0.10 -2.34 0.07 0.00 0.01 0.00 0.00 72.50 70.14 1swq s THR 32 CO 0.02 0.48 0.80 0.00 -0.69 0.00 0.00 174.62 175.24 1swq s ALA 33 N 0.97 3.27 0.70 7.40 0.00 -1.26 -1.99 121.76 130.84 1swq s ALA 33 Ca -0.01 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.05 1swq s ALA 33 Cb -0.15 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.39 1swq s ALA 33 CO -0.01 -2.36 1.15 0.20 0.00 0.00 0.00 175.76 174.74 1swq s GLY 34 N 3.16 2.22 0.38 0.00 0.00 0.20 -4.90 107.32 108.38 1swq s GLY 34 Ca 0.20 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.71 1swq s GLY 34 CO 0.12 1.07 1.87 0.00 0.00 0.00 0.00 173.10 176.16 1swq h ALA 35 N -0.17 1.44 0.00 3.20 0.00 -1.96 -2.46 119.26 119.31 1swq h ALA 35 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1swq h ALA 35 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1swq h ALA 35 CO 0.52 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 1swq n ASP 36 N -4.20 0.65 0.00 0.00 5.68 -1.26 -4.85 116.55 112.57 1swq n ASP 36 Ca -0.01 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 1swq n ASP 36 Cb 0.33 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1swq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swq n GLY 37 N 0.00 0.80 3.84 6.12 0.00 -0.93 -4.95 105.19 110.07 1swq n GLY 37 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1swq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq s ALA 38 N -2.00 3.60 -0.17 4.61 0.00 -1.25 -1.64 121.76 124.92 1swq s ALA 38 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1swq s ALA 38 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1swq s ALA 38 CO 0.00 0.45 -0.13 -0.51 0.00 0.00 0.00 175.76 175.58 1swq s LEU 39 N -1.69 2.58 0.02 0.00 1.02 -0.05 0.60 118.68 121.16 1swq s LEU 39 Ca 0.34 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 54.08 1swq s LEU 39 Cb -0.16 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.43 1swq s LEU 39 CO 0.18 0.06 -0.10 0.42 0.02 0.00 0.00 176.35 176.94 1swq s THR 40 N 0.94 0.76 -1.36 5.49 -4.23 -0.84 -1.66 115.64 114.74 1swq s THR 40 Ca -0.02 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1swq s THR 40 Cb -0.15 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1swq s THR 40 CO -0.01 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1swq n GLY 41 N 2.18 -0.54 2.86 3.99 0.00 -1.14 0.46 105.19 113.01 1swq n GLY 41 Ca -0.17 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1swq n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swq s THR 42 N -3.00 -0.01 -0.12 2.61 2.01 -0.64 -1.83 115.64 114.66 1swq s THR 42 Ca 0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1swq s THR 42 Cb 0.00 -0.02 -0.01 0.00 0.01 0.00 0.00 72.50 72.48 1swq s THR 42 CO 0.00 0.01 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.31 1swq s TYR 43 N 0.11 2.74 -0.10 4.92 6.14 0.11 -0.81 117.35 130.47 1swq s TYR 43 Ca -0.01 -0.79 0.04 0.00 0.64 0.00 0.00 57.07 56.95 1swq s TYR 43 Cb -0.01 -1.81 -0.00 0.00 0.42 0.00 0.00 41.96 40.56 1swq s TYR 43 CO -0.00 -0.29 -0.23 -2.00 0.64 0.00 0.00 175.55 173.66 1swq s GLU 44 N 0.38 3.01 0.00 4.97 2.12 0.39 0.12 118.70 129.69 1swq s GLU 44 Ca -0.13 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1swq s GLU 44 Cb -0.16 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1swq s GLU 44 CO 0.06 0.21 0.00 0.45 -0.54 0.00 0.00 175.26 175.44 1swq n SER 52 N 3.44 0.00 -4.84 -1.70 2.88 -1.26 -1.19 113.62 110.95 1swq n SER 52 Ca -0.19 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.99 1swq n SER 52 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1swq n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swq s ARG 53 N 0.00 3.51 0.06 -1.46 0.52 -1.26 -5.10 118.95 115.22 1swq s ARG 53 Ca 0.00 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1swq s ARG 53 Cb 0.00 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 1swq s ARG 53 CO 0.00 0.70 -0.12 0.71 0.02 0.00 0.00 175.30 176.61 1swq s TYR 54 N -0.81 1.00 0.18 -0.53 1.51 0.32 -4.82 117.35 114.21 1swq s TYR 54 Ca 0.14 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1swq s TYR 54 Cb -0.12 -0.57 -0.08 0.00 -0.11 0.00 0.00 41.96 41.08 1swq s TYR 54 CO 0.03 0.00 1.08 0.08 -1.11 0.00 0.00 175.55 175.63 1swq s VAL 55 N -1.37 3.93 0.12 0.71 1.01 -1.26 0.07 120.40 123.61 1swq s VAL 55 Ca -0.05 1.69 0.09 0.00 0.00 0.00 0.00 61.98 63.71 1swq s VAL 55 Cb -0.10 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1swq s VAL 55 CO 0.01 0.30 -0.21 -1.48 0.00 0.00 0.00 175.10 173.72 1swq s LEU 56 N -0.43 2.33 -0.03 3.92 0.05 -0.76 -4.35 118.68 119.41 1swq s LEU 56 Ca 0.48 -0.73 -0.13 0.00 0.05 0.00 0.00 54.13 53.81 1swq s LEU 56 Cb -0.29 -0.91 0.02 0.00 -2.05 0.00 0.00 46.19 42.97 1swq s LEU 56 CO 0.34 0.05 0.28 0.28 -0.55 0.00 0.00 176.35 176.76 1swq s THR 57 N -1.32 0.05 0.00 5.48 -1.32 -0.94 -2.87 115.64 114.72 1swq s THR 57 Ca 0.09 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1swq s THR 57 Cb -0.09 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1swq s THR 57 CO 0.05 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1swq n GLY 58 N 1.61 2.11 3.10 6.08 0.00 -0.66 -1.05 105.19 116.38 1swq n GLY 58 Ca -0.20 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1swq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swq s ARG 59 N 0.88 0.65 0.12 1.61 1.81 -0.82 -0.87 118.95 122.34 1swq s ARG 59 Ca 0.00 -1.14 -0.09 0.00 -1.72 0.00 0.00 55.73 52.78 1swq s ARG 59 Cb 0.00 -0.01 -0.00 0.00 -0.45 0.00 0.00 34.95 34.48 1swq s ARG 59 CO 0.00 -0.05 0.23 1.52 -0.68 0.00 0.00 175.30 176.32 1swq s TYR 60 N -3.25 0.25 -0.64 -0.53 1.13 -0.65 -1.84 117.35 111.82 1swq s TYR 60 Ca 0.04 -0.66 -0.27 0.00 -1.41 0.00 0.00 57.07 54.78 1swq s TYR 60 Cb 0.03 -0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.84 1swq s TYR 60 CO -0.06 -0.61 1.44 0.34 -2.51 0.00 0.00 175.55 174.15 1swq s ASP 61 N -2.90 5.98 0.00 -0.18 -1.08 -0.36 -4.62 116.67 113.51 1swq s ASP 61 Ca 0.10 0.00 0.21 0.00 -0.52 0.00 0.00 52.55 52.34 1swq s ASP 61 Cb 0.04 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 40.07 1swq s ASP 61 CO -0.07 -1.88 1.73 -1.54 0.52 0.00 0.00 175.17 173.94 1swq n SER 62 N 10.08 0.36 -3.15 -0.34 3.41 -1.26 -4.01 113.62 118.72 1swq n SER 62 Ca 0.10 -1.44 -0.21 0.00 -0.26 0.00 0.00 58.87 57.06 1swq n SER 62 Cb 0.50 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1swq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swq n ALA 63 N -0.57 1.79 -1.19 7.33 0.00 -1.26 -5.04 120.51 121.57 1swq n ALA 63 Ca 0.16 -2.97 -0.31 0.00 0.00 0.00 0.00 53.44 50.32 1swq n ALA 63 Cb 0.13 -0.90 0.11 0.00 0.00 0.00 0.00 19.45 18.79 1swq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swq s PRO 64 N -0.62 1.80 1.02 0.00 0.04 -1.26 -5.00 135.00 130.99 1swq s PRO 64 Ca 0.34 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1swq s PRO 64 Cb 0.15 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 33.01 1swq s PRO 64 CO -0.14 -1.94 0.92 0.00 0.04 0.00 0.00 177.00 175.88 1swq n ALA 65 N -3.71 -1.97 0.78 8.56 0.00 -1.26 -4.97 120.51 117.95 1swq n ALA 65 Ca 0.08 -0.81 0.08 0.00 0.00 0.00 0.00 53.44 52.80 1swq n ALA 65 Cb 0.54 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1swq n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swq n THR 66 N -4.41 0.00 1.10 0.00 -2.24 -1.26 -4.62 114.28 102.85 1swq n THR 66 Ca 0.08 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1swq n THR 66 Cb 0.54 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1swq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swq n ASP 67 N -0.43 0.44 0.00 3.42 5.68 -1.26 -4.77 116.55 119.63 1swq n ASP 67 Ca 0.06 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1swq n ASP 67 Cb 0.34 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1swq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swq n GLY 68 N 0.18 0.78 3.80 6.12 0.00 -1.26 -5.03 105.19 109.78 1swq n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1swq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 69 N -2.62 6.37 1.22 1.61 0.01 -1.26 -5.04 113.70 113.99 1swq s SER 69 Ca 0.00 1.90 -0.19 0.00 1.31 0.00 0.00 55.95 58.98 1swq s SER 69 Cb 0.00 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 63.97 1swq s SER 69 CO 0.00 -0.76 1.07 -0.83 0.41 0.00 0.00 173.24 173.12 1swq s GLY 70 N -2.04 1.54 -0.34 3.44 0.00 -1.26 -4.78 107.32 103.88 1swq s GLY 70 Ca 0.67 -0.81 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 1swq s GLY 70 CO 0.20 0.06 0.12 -1.59 0.00 0.00 0.00 173.10 171.90 1swq s THR 71 N -2.82 3.98 0.28 0.90 2.01 0.30 -4.79 115.64 115.50 1swq s THR 71 Ca 0.70 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1swq s THR 71 Cb -0.12 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 1swq s THR 71 CO 0.57 -0.15 1.52 0.00 -0.69 0.00 0.00 174.62 175.88 1swq s ALA 72 N 1.45 3.69 0.18 7.40 0.00 -1.26 -0.22 121.76 133.00 1swq s ALA 72 Ca -0.00 1.47 -0.24 0.00 0.00 0.00 0.00 51.96 53.19 1swq s ALA 72 Cb -0.19 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.38 1swq s ALA 72 CO 0.04 -0.89 0.85 -0.48 0.00 0.00 0.00 175.76 175.28 1swq s LEU 73 N -0.58 -0.24 0.04 0.00 2.34 -0.38 -1.22 118.68 118.65 1swq s LEU 73 Ca 0.61 -0.42 -0.28 0.00 0.06 0.00 0.00 54.13 54.10 1swq s LEU 73 Cb -0.45 2.36 0.09 0.00 -0.56 0.00 0.00 46.19 47.63 1swq s LEU 73 CO 0.47 -1.03 0.90 -0.83 -1.06 0.00 0.00 176.35 174.79 1swq s GLY 74 N -2.89 -0.41 0.27 -3.48 0.00 -0.77 -0.90 107.32 99.14 1swq s GLY 74 Ca 0.11 0.76 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 1swq s GLY 74 CO 0.02 0.24 0.69 0.66 0.00 0.00 0.00 173.10 174.72 1swq s TRP 75 N -3.19 -0.15 -0.02 1.90 -2.14 -0.58 -1.94 118.94 112.83 1swq s TRP 75 Ca 0.07 -0.30 0.02 0.00 2.66 0.00 0.00 56.10 58.55 1swq s TRP 75 Cb -0.01 0.66 -0.00 0.00 -3.10 0.00 0.00 33.47 31.02 1swq s TRP 75 CO -0.06 -1.21 -0.08 0.99 -2.66 0.00 0.00 176.95 173.93 1swq s THR 76 N -3.92 0.68 -0.15 0.66 2.01 -0.22 -0.27 115.64 114.43 1swq s THR 76 Ca 0.12 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1swq s THR 76 Cb -0.05 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1swq s THR 76 CO 0.07 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 1swq s VAL 77 N 0.05 2.27 -0.23 3.82 1.01 -0.30 -2.21 120.40 124.81 1swq s VAL 77 Ca -0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1swq s VAL 77 Cb -0.06 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1swq s VAL 77 CO 0.00 0.54 0.47 0.00 0.00 0.00 0.00 175.10 176.11 1swq s ALA 78 N 0.87 3.57 -1.44 5.51 0.00 -1.26 -0.94 121.76 128.07 1swq s ALA 78 Ca -0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1swq s ALA 78 Cb -0.15 -2.79 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 1swq s ALA 78 CO -0.02 -0.54 2.98 0.91 0.00 0.00 0.00 175.76 179.08 1swq n TRP 79 N 5.04 2.14 -4.25 0.00 7.02 0.16 -4.75 117.44 122.81 1swq n TRP 79 Ca -0.06 -2.89 -0.24 0.00 -1.02 0.00 0.00 57.50 53.29 1swq n TRP 79 Cb 0.50 -2.37 -0.17 0.00 -2.42 0.00 0.00 31.31 26.86 1swq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swq s LYS 80 N 2.13 1.39 0.00 -0.99 2.20 -1.26 -1.74 119.74 121.47 1swq s LYS 80 Ca 0.68 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1swq s LYS 80 Cb 0.19 -1.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.20 1swq s LYS 80 CO -0.05 -0.10 0.00 0.27 -0.36 0.00 0.00 175.35 175.11 1swq n ASN 81 N 4.26 0.95 0.10 1.43 0.23 0.07 -4.81 115.26 117.50 1swq n ASN 81 Ca -0.20 -0.48 0.11 0.00 -0.53 0.00 0.00 54.58 53.49 1swq n ASN 81 Cb 0.51 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.66 1swq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swq n ASN 82 N -0.98 0.53 -0.09 0.53 5.03 -1.26 -3.72 115.26 115.30 1swq n ASN 82 Ca 0.00 0.63 -0.11 0.00 0.87 0.00 0.00 54.58 55.97 1swq n ASN 82 Cb 0.00 -0.74 -0.10 0.00 -1.02 0.00 0.00 39.78 37.92 1swq n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swq n TYR 83 N -2.08 0.00 -3.99 3.10 4.02 -1.26 -5.06 117.16 111.89 1swq n TYR 83 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.82 1swq n TYR 83 Cb 0.22 -0.72 -0.07 0.00 -0.02 0.00 0.00 39.34 38.74 1swq n TYR 83 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1swq s ARG 84 N -2.37 1.18 -0.12 -0.72 3.03 -1.24 -5.14 118.95 113.57 1swq s ARG 84 Ca -0.19 -1.23 -0.04 0.00 2.03 0.00 0.00 55.73 56.30 1swq s ARG 84 Cb 0.06 0.37 0.05 0.00 -1.03 0.00 0.00 34.95 34.40 1swq s ARG 84 CO 0.49 -0.43 0.08 1.21 -1.13 0.00 0.00 175.30 175.52 1swq s ASN 85 N -2.99 1.91 0.00 -2.89 3.84 -1.26 -0.75 114.94 112.79 1swq s ASN 85 Ca 0.19 -0.36 0.24 0.00 0.21 0.00 0.00 52.86 53.14 1swq s ASN 85 Cb 0.03 -0.20 0.45 0.00 -0.55 0.00 0.00 41.25 40.99 1swq s ASN 85 CO 0.02 -0.31 1.41 0.00 -2.79 0.00 0.00 177.10 175.42 1swq n ALA 86 N 5.29 2.46 -3.93 1.71 0.00 -0.71 -4.96 120.51 120.36 1swq n ALA 86 Ca -0.06 -0.79 -0.32 0.00 0.00 0.00 0.00 53.44 52.28 1swq n ALA 86 Cb 0.49 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 1swq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swq n HIS 87 N 1.18 -1.63 -3.82 0.00 -0.00 -1.26 -4.84 115.22 104.84 1swq n HIS 87 Ca 0.17 0.50 -0.10 0.00 -0.00 0.00 0.00 57.72 58.30 1swq n HIS 87 Cb 0.55 -3.35 -0.05 0.00 -0.00 0.00 0.00 29.99 27.13 1swq n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swq s SER 88 N -3.92 -0.14 -0.08 0.41 1.04 -1.26 -1.14 113.70 108.60 1swq s SER 88 Ca 0.25 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1swq s SER 88 Cb -0.11 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1swq s SER 88 CO 0.91 -0.99 0.22 0.00 0.98 0.00 0.00 173.24 174.35 1swq s ALA 89 N -3.91 -0.53 -0.10 5.32 0.00 -0.43 -0.66 121.76 121.45 1swq s ALA 89 Ca 0.12 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 1swq s ALA 89 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1swq s ALA 89 CO -0.02 -0.11 -0.08 0.99 0.00 0.00 0.00 175.76 176.54 1swq s THR 90 N 0.28 3.61 -0.10 0.00 2.01 -0.11 -0.59 115.64 120.74 1swq s THR 90 Ca -0.01 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1swq s THR 90 Cb -0.03 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 1swq s THR 90 CO -0.01 0.56 -0.17 0.42 -0.69 0.00 0.00 174.62 174.73 1swq s THR 91 N -0.33 2.76 -0.14 -0.82 -4.23 -0.49 -1.16 115.64 111.23 1swq s THR 91 Ca 0.04 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1swq s THR 91 Cb -0.13 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1swq s THR 91 CO 0.02 0.55 -0.02 0.26 -0.54 0.00 0.00 174.62 174.89 1swq s TRP 92 N 0.03 3.06 -0.08 3.99 0.51 0.62 -1.89 118.94 125.19 1swq s TRP 92 Ca -0.06 -0.14 0.03 0.00 -2.12 0.00 0.00 56.10 53.81 1swq s TRP 92 Cb -0.15 -1.92 0.01 0.00 -0.81 0.00 0.00 33.47 30.60 1swq s TRP 92 CO 0.05 0.11 -0.17 0.45 -0.51 0.00 0.00 176.95 176.87 1swq s SER 93 N 0.04 2.33 0.00 2.95 0.15 0.81 -1.52 113.70 118.45 1swq s SER 93 Ca 0.01 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1swq s SER 93 Cb -0.13 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1swq s SER 93 CO 0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1swq n GLY 94 N 3.65 1.42 3.06 9.45 0.00 -0.08 -0.82 105.19 121.86 1swq n GLY 94 Ca -0.21 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1swq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swq s GLN 95 N 0.60 0.30 -0.08 1.61 -2.07 -0.67 -1.24 119.66 118.09 1swq s GLN 95 Ca 0.00 -0.05 -0.15 0.00 -1.82 0.00 0.00 55.36 53.34 1swq s GLN 95 Cb 0.00 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1swq s GLN 95 CO 0.00 -0.06 0.39 -0.47 -1.32 0.00 0.00 175.29 173.83 1swq s TYR 96 N -0.52 3.59 -0.23 9.60 5.04 0.69 -1.53 117.35 133.99 1swq s TYR 96 Ca -0.06 0.84 0.01 0.00 -2.44 0.00 0.00 57.07 55.43 1swq s TYR 96 Cb -0.04 -2.38 0.05 0.00 0.35 0.00 0.00 41.96 39.95 1swq s TYR 96 CO 0.01 0.39 -0.09 0.08 -1.34 0.00 0.00 175.55 174.60 1swq s VAL 97 N -0.13 1.77 0.84 3.14 1.01 0.20 -0.54 120.40 126.69 1swq s VAL 97 Ca 0.22 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1swq s VAL 97 Cb -0.15 -1.92 0.17 0.00 0.00 0.00 0.00 36.38 34.48 1swq s VAL 97 CO 0.10 0.02 1.15 -0.83 0.00 0.00 0.00 175.10 175.54 1swq s GLY 98 N 1.30 1.77 0.00 4.51 0.00 -1.26 -1.33 107.32 112.32 1swq s GLY 98 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1swq s GLY 98 CO -0.07 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1swq n GLY 99 N -3.27 0.59 0.00 0.20 0.00 -1.26 -4.78 105.19 96.68 1swq n GLY 99 Ca 0.16 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1swq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq n ALA 100 N -1.00 -0.09 -3.01 4.61 0.00 -1.26 -3.29 120.51 116.47 1swq n ALA 100 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1swq n ALA 100 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1swq n ALA 100 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1swq s GLU 101 N -1.65 3.95 0.25 0.00 2.02 -1.26 -4.99 118.70 117.02 1swq s GLU 101 Ca 0.00 -2.44 -0.31 0.00 0.02 0.00 0.00 54.97 52.24 1swq s GLU 101 Cb 0.00 -4.93 -0.13 0.00 0.10 0.00 0.00 34.13 29.17 1swq s GLU 101 CO 0.00 -1.68 1.49 0.00 0.02 0.00 0.00 175.26 175.08 1swq n ALA 102 N 5.45 1.63 -2.74 5.21 0.00 -1.21 -4.93 120.51 123.91 1swq n ALA 102 Ca 0.31 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 54.05 1swq n ALA 102 Cb 0.44 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1swq n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swq s ARG 103 N -0.31 0.92 -0.21 0.00 1.70 -0.44 -4.21 118.95 116.40 1swq s ARG 103 Ca 0.68 -0.84 0.01 0.00 -0.47 0.00 0.00 55.73 55.11 1swq s ARG 103 Cb -0.60 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.21 1swq s ARG 103 CO 0.48 -0.32 -0.13 0.42 -1.08 0.00 0.00 175.30 174.67 1swq s ILE 104 N -3.73 1.85 -0.36 4.99 1.01 -0.33 -0.63 121.20 124.01 1swq s ILE 104 Ca 0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 1swq s ILE 104 Cb 0.03 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1swq s ILE 104 CO -0.11 0.23 0.38 0.20 0.00 0.00 0.00 174.94 175.64 1swq s ASN 105 N 1.31 6.19 0.16 3.58 0.01 -0.58 -0.95 114.94 124.65 1swq s ASN 105 Ca -0.01 -0.31 0.07 0.00 -0.71 0.00 0.00 52.86 51.90 1swq s ASN 105 Cb -0.16 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1swq s ASN 105 CO -0.09 -0.39 -0.15 0.42 -1.51 0.00 0.00 177.10 175.39 1swq s THR 106 N 2.05 1.59 0.09 1.60 -4.23 -0.30 -1.67 115.64 114.77 1swq s THR 106 Ca 0.12 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1swq s THR 106 Cb -0.17 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1swq s THR 106 CO 0.12 -0.48 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.50 1swq s GLN 107 N -3.14 2.11 0.06 3.99 -1.52 0.00 -1.59 119.66 119.57 1swq s GLN 107 Ca 0.16 -1.02 0.02 0.00 -1.95 0.00 0.00 55.36 52.57 1swq s GLN 107 Cb -0.03 -2.28 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1swq s GLN 107 CO 0.05 0.52 -0.07 1.67 -0.25 0.00 0.00 175.29 177.21 1swq s TRP 108 N -1.16 0.71 -0.10 0.91 1.48 -0.67 -0.14 118.94 119.97 1swq s TRP 108 Ca 0.20 -0.69 0.01 0.00 -1.06 0.00 0.00 56.10 54.56 1swq s TRP 108 Cb -0.11 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.79 1swq s TRP 108 CO 0.12 -0.14 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.25 1swq s LEU 109 N -2.18 1.46 -0.31 -4.66 1.43 -0.79 -1.49 118.68 112.14 1swq s LEU 109 Ca -0.02 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1swq s LEU 109 Cb -0.03 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.33 1swq s LEU 109 CO -0.02 -0.04 0.02 -0.22 0.23 0.00 0.00 176.35 176.31 1swq s LEU 110 N 1.23 3.97 -0.16 1.79 2.96 -0.02 -1.40 118.68 127.05 1swq s LEU 110 Ca -0.03 -1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 52.58 1swq s LEU 110 Cb -0.14 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1swq s LEU 110 CO -0.04 -0.27 0.03 -0.89 -1.32 0.00 0.00 176.35 173.86 1swq s THR 111 N 1.28 4.47 -0.05 3.68 2.01 0.24 -1.23 115.64 126.06 1swq s THR 111 Ca -0.05 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1swq s THR 111 Cb -0.20 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1swq s THR 111 CO -0.00 0.49 0.11 -0.44 -0.69 0.00 0.00 174.62 174.08 1swq s SER 112 N 0.24 5.97 -0.13 3.53 0.01 -0.18 -1.31 113.70 121.83 1swq s SER 112 Ca 0.02 0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 1swq s SER 112 Cb -0.13 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1swq s SER 112 CO 0.01 0.32 1.52 -0.83 0.41 0.00 0.00 173.24 174.67 1swq s GLY 113 N -1.49 1.50 0.29 3.44 0.00 -0.29 -4.84 107.32 105.93 1swq s GLY 113 Ca 0.21 0.68 0.07 0.00 0.00 0.00 0.00 44.72 45.67 1swq s GLY 113 CO 0.11 2.86 -0.06 -0.51 0.00 0.00 0.00 173.10 175.50 1swq s THR 114 N 4.11 1.69 0.82 0.90 -4.23 -1.26 -4.99 115.64 112.68 1swq s THR 114 Ca 0.67 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 1swq s THR 114 Cb -0.28 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1swq s THR 114 CO 0.25 -0.28 1.19 0.42 -0.54 0.00 0.00 174.62 175.66 1swq s THR 115 N -2.98 2.00 0.17 3.99 -4.23 -1.26 -4.87 115.64 108.46 1swq s THR 115 Ca 0.30 -0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1swq s THR 115 Cb 0.04 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 1swq s THR 115 CO 0.13 0.00 1.53 -0.08 -0.54 0.00 0.00 174.62 175.65 1swq h GLU 116 N -1.09 0.88 -0.67 3.99 4.81 -2.03 -1.28 114.58 119.20 1swq h GLU 116 Ca -0.46 -0.43 0.08 0.00 -0.13 0.00 0.00 59.36 58.42 1swq h GLU 116 Cb 1.32 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1swq h GLU 116 CO 0.64 1.08 0.44 0.00 -0.73 0.00 0.00 179.01 180.44 1swq h ALA 117 N 0.88 1.85 -0.02 2.92 0.00 -2.07 -1.37 119.26 121.45 1swq h ALA 117 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1swq h ALA 117 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1swq h ALA 117 CO 0.08 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1swq n ASN 118 N -4.48 1.89 0.02 0.00 3.02 -1.03 -4.40 115.26 110.28 1swq n ASN 118 Ca 0.10 -1.63 0.19 0.00 -0.03 0.00 0.00 54.58 53.21 1swq n ASN 118 Cb 0.30 -0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.15 1swq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swq h ALA 119 N 4.44 2.44 -0.26 5.41 0.00 -0.05 -2.45 119.26 128.79 1swq h ALA 119 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1swq h ALA 119 Cb 0.63 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1swq h ALA 119 CO 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 179.25 178.69 1swq h ALA 120 N 1.76 1.55 -0.86 0.00 0.00 -1.79 -2.68 119.26 117.24 1swq h ALA 120 Ca 0.23 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 54.41 1swq h ALA 120 Cb 0.90 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.26 1swq h ALA 120 CO -0.00 0.33 0.24 0.36 0.00 0.00 0.00 179.25 180.18 1swq n LYS 121 N -4.35 2.86 0.01 0.00 2.85 -0.92 -4.64 118.16 113.97 1swq n LYS 121 Ca 0.01 -3.53 0.11 0.00 -1.05 0.00 0.00 58.31 53.85 1swq n LYS 121 Cb 0.20 -2.23 0.01 0.00 -0.65 0.00 0.00 35.03 32.35 1swq n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swq n SER 122 N -0.89 0.68 -4.04 -5.58 3.41 -1.01 -4.90 113.62 101.29 1swq n SER 122 Ca 0.54 -0.48 -0.31 0.00 -0.26 0.00 0.00 58.87 58.36 1swq n SER 122 Cb 0.87 0.83 -0.16 0.00 -0.26 0.00 0.00 64.21 65.48 1swq n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swq s THR 123 N -3.11 1.66 0.15 6.66 2.01 -1.26 -1.01 115.64 120.75 1swq s THR 123 Ca 0.06 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1swq s THR 123 Cb 0.16 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 1swq s THR 123 CO 0.81 0.47 0.38 -0.76 -0.69 0.00 0.00 174.62 174.83 1swq s LEU 124 N 1.44 4.26 0.00 4.42 1.43 -0.36 -4.92 118.68 124.94 1swq s LEU 124 Ca 0.05 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1swq s LEU 124 Cb -0.13 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1swq s LEU 124 CO -0.11 0.03 -0.11 0.54 0.23 0.00 0.00 176.35 176.94 1swq s VAL 125 N -1.70 0.85 0.04 -1.59 0.11 -1.26 -0.84 120.40 116.01 1swq s VAL 125 Ca 0.41 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1swq s VAL 125 Cb -0.12 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1swq s VAL 125 CO 0.25 0.17 0.09 0.61 -3.33 0.00 0.00 175.10 172.89 1swq n GLY 126 N 2.63 1.86 3.00 6.54 0.00 -0.55 -5.01 105.19 113.65 1swq n GLY 126 Ca -0.15 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1swq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swq s HIS 127 N -8.16 0.19 0.00 1.61 -3.43 -1.26 -1.67 115.29 102.56 1swq s HIS 127 Ca 0.02 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1swq s HIS 127 Cb -0.01 -0.14 -0.00 0.00 -1.43 0.00 0.00 32.58 31.00 1swq s HIS 127 CO 0.01 -0.20 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.01 1swq s ASP 128 N -1.32 0.37 -0.17 7.38 1.01 -0.62 -4.97 116.67 118.36 1swq s ASP 128 Ca -0.14 -0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.02 1swq s ASP 128 Cb -0.09 -0.03 -0.00 0.00 1.01 0.00 0.00 42.92 43.81 1swq s ASP 128 CO -0.00 0.01 -0.14 -0.89 0.21 0.00 0.00 175.17 174.36 1swq s THR 129 N -0.18 2.76 -0.03 -1.27 2.01 -1.26 -1.15 115.64 116.51 1swq s THR 129 Ca -0.00 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1swq s THR 129 Cb -0.02 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1swq s THR 129 CO -0.00 0.50 0.06 -0.36 -0.69 0.00 0.00 174.62 174.14 1swq s PHE 130 N 0.95 3.28 0.03 4.92 0.08 -0.13 -3.07 117.98 124.04 1swq s PHE 130 Ca -0.02 0.23 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 1swq s PHE 130 Cb -0.15 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1swq s PHE 130 CO -0.02 0.55 0.07 0.99 -0.10 0.00 0.00 175.22 176.71 1swq s THR 131 N -1.10 0.13 -2.27 0.64 2.01 -0.36 -1.19 115.64 113.50 1swq s THR 131 Ca 0.20 -1.08 0.29 0.00 0.31 0.00 0.00 61.69 61.40 1swq s THR 131 Cb -0.12 -0.81 0.62 0.00 0.01 0.00 0.00 72.50 72.20 1swq s THR 131 CO 0.10 -0.60 1.86 0.29 -0.69 0.00 0.00 174.62 175.59 1swq n LYS 132 N 0.90 1.39 -4.82 4.92 5.02 -1.26 -0.48 118.16 123.82 1swq n LYS 132 Ca -0.20 -0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 55.12 1swq n LYS 132 Cb 0.58 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.95 1swq n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1swq s VAL 133 N -2.06 2.91 -0.01 -0.18 0.11 -1.26 -4.88 120.40 115.03 1swq s VAL 133 Ca 0.39 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 1swq s VAL 133 Cb 0.21 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1swq s VAL 133 CO 0.36 0.53 1.17 -0.75 -3.33 0.00 0.00 175.10 173.09 1swq s LYS 134 N 0.37 4.40 0.00 1.54 2.20 -1.26 -4.80 119.74 122.19 1swq s LYS 134 Ca -0.12 1.68 0.14 0.00 -0.36 0.00 0.00 55.97 57.31 1swq s LYS 134 Cb -0.16 -3.47 0.11 0.00 -1.51 0.00 0.00 37.83 32.80 1swq s LYS 134 CO 0.06 -0.33 0.96 -0.35 -0.36 0.00 0.00 175.35 175.32