#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srf n GLY 16 N 0.00 -3.35 0.30 0.00 0.00 -1.26 -3.22 105.19 97.66 1srf n GLY 16 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 1srf n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1srf h ILE 17 N 0.00 1.25 -2.74 -0.61 2.04 -1.98 -3.44 117.51 112.03 1srf h ILE 17 Ca 0.00 -0.87 -0.52 0.00 1.00 0.00 0.00 64.86 64.46 1srf h ILE 17 Cb 0.00 0.58 0.06 0.00 -0.74 0.00 0.00 36.82 36.72 1srf h ILE 17 CO 0.00 0.34 0.99 -0.89 0.00 0.00 0.00 178.15 178.58 1srf s THR 18 N -5.39 2.10 -5.00 -0.27 2.01 -1.20 -4.82 115.64 103.08 1srf s THR 18 Ca -0.12 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1srf s THR 18 Cb 0.14 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1srf s THR 18 CO 0.82 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1srf n GLY 19 N 3.79 0.20 3.55 4.40 0.00 -0.77 -4.88 105.19 111.49 1srf n GLY 19 Ca 0.15 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1srf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1srf s THR 20 N -2.57 4.03 0.21 2.61 2.01 -1.26 -1.72 115.64 118.96 1srf s THR 20 Ca 0.00 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.73 1srf s THR 20 Cb 0.00 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1srf s THR 20 CO 0.00 0.52 -0.08 0.26 -0.69 0.00 0.00 174.62 174.63 1srf s TRP 21 N 0.02 1.60 0.01 4.92 0.52 0.03 -0.98 118.94 125.07 1srf s TRP 21 Ca 0.01 -0.73 -0.04 0.00 0.02 0.00 0.00 56.10 55.35 1srf s TRP 21 Cb -0.13 -0.85 -0.01 0.00 -1.15 0.00 0.00 33.47 31.34 1srf s TRP 21 CO 0.02 0.17 0.07 0.71 0.02 0.00 0.00 176.95 177.95 1srf s TYR 22 N -3.18 0.12 0.54 -1.98 2.02 -0.44 -1.56 117.35 112.85 1srf s TYR 22 Ca 0.24 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 1srf s TYR 22 Cb 0.03 -0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1srf s TYR 22 CO 0.07 -0.24 0.50 0.54 -1.57 0.00 0.00 175.55 174.84 1srf s ASN 23 N -1.37 4.80 0.64 2.29 2.20 -1.06 -0.19 114.94 122.25 1srf s ASN 23 Ca -0.15 -1.08 0.38 0.00 -0.94 0.00 0.00 52.86 51.07 1srf s ASN 23 Cb -0.08 0.26 2.16 0.00 -2.00 0.00 0.00 41.25 41.59 1srf s ASN 23 CO 0.01 -1.11 2.30 0.06 -2.94 0.00 0.00 177.10 175.42 1srf h GLN 24 N 0.64 0.00 0.00 3.55 -0.00 -1.91 -0.70 115.11 116.69 1srf h GLN 24 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1srf h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1srf h GLN 24 CO 0.53 0.00 -0.38 1.28 -0.00 0.00 0.00 178.83 180.26 1srf n LEU 25 N -3.37 0.46 0.00 0.06 4.77 -1.26 -4.94 117.00 112.72 1srf n LEU 25 Ca -0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1srf n LEU 25 Cb 0.10 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1srf n LEU 25 CO 0.23 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1srf n GLY 26 N 1.44 0.76 3.76 -0.72 0.00 -0.27 -4.73 105.19 105.45 1srf n GLY 26 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1srf n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1srf s SER 27 N -2.04 5.24 -0.12 1.61 0.01 -1.26 -4.66 113.70 112.49 1srf s SER 27 Ca 0.00 2.16 -0.00 0.00 1.31 0.00 0.00 55.95 59.42 1srf s SER 27 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1srf s SER 27 CO 0.00 -1.54 -0.11 -0.89 0.41 0.00 0.00 173.24 171.10 1srf s THR 28 N -1.99 3.24 -0.21 1.44 2.01 0.58 -2.55 115.64 118.16 1srf s THR 28 Ca 0.71 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1srf s THR 28 Cb -0.24 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 69.96 1srf s THR 28 CO 0.35 0.53 -0.12 0.12 -0.69 0.00 0.00 174.62 174.82 1srf s PHE 29 N 0.11 2.69 -0.25 4.92 5.36 -0.60 0.13 117.98 130.34 1srf s PHE 29 Ca -0.05 -1.79 -0.05 0.00 -0.96 0.00 0.00 56.93 54.08 1srf s PHE 29 Cb -0.15 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1srf s PHE 29 CO 0.04 -0.79 0.01 0.42 -1.46 0.00 0.00 175.22 173.44 1srf s ILE 30 N 1.30 3.63 0.03 3.12 1.01 -0.02 -0.79 121.20 129.50 1srf s ILE 30 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1srf s ILE 30 Cb -0.17 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1srf s ILE 30 CO -0.08 0.28 -0.08 0.54 0.00 0.00 0.00 174.94 175.60 1srf s VAL 31 N 1.49 0.56 -0.12 2.92 0.11 -0.70 -0.87 120.40 123.79 1srf s VAL 31 Ca 0.04 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1srf s VAL 31 Cb -0.15 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1srf s VAL 31 CO -0.01 -0.26 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.44 1srf s THR 32 N -1.11 1.68 -0.29 5.04 2.01 0.19 -1.84 115.64 121.32 1srf s THR 32 Ca -0.07 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1srf s THR 32 Cb -0.08 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1srf s THR 32 CO 0.00 0.48 0.47 0.00 -0.69 0.00 0.00 174.62 174.88 1srf s ALA 33 N 0.94 3.55 0.57 7.40 0.00 -1.26 -1.77 121.76 131.19 1srf s ALA 33 Ca -0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1srf s ALA 33 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1srf s ALA 33 CO -0.02 -0.84 0.89 0.20 0.00 0.00 0.00 175.76 175.99 1srf s GLY 34 N 1.63 1.58 0.55 0.00 0.00 0.77 -4.91 107.32 106.94 1srf s GLY 34 Ca 0.18 -0.57 0.33 0.00 0.00 0.00 0.00 44.72 44.67 1srf s GLY 34 CO 0.10 -0.32 1.98 0.00 0.00 0.00 0.00 173.10 174.87 1srf h ALA 35 N -0.11 1.00 -0.39 3.20 0.00 -1.98 -2.43 119.26 118.55 1srf h ALA 35 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1srf h ALA 35 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1srf h ALA 35 CO 0.61 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1srf n ASP 36 N -3.10 2.12 0.00 0.00 5.75 -1.26 -4.90 116.55 115.16 1srf n ASP 36 Ca 0.01 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1srf n ASP 36 Cb 0.31 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1srf n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1srf n GLY 37 N 1.11 0.66 3.76 6.12 0.00 -0.91 -4.99 105.19 110.94 1srf n GLY 37 Ca 0.13 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1srf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srf s ALA 38 N -2.00 3.38 -0.08 4.61 0.00 -1.25 -0.99 121.76 125.43 1srf s ALA 38 Ca 0.00 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1srf s ALA 38 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1srf s ALA 38 CO 0.00 0.24 -0.20 -0.51 0.00 0.00 0.00 175.76 175.29 1srf s LEU 39 N -1.24 2.36 -0.02 0.00 1.43 0.89 -0.16 118.68 121.94 1srf s LEU 39 Ca 0.39 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1srf s LEU 39 Cb -0.24 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.52 1srf s LEU 39 CO 0.29 0.23 0.21 0.42 0.23 0.00 0.00 176.35 177.74 1srf s THR 40 N -0.09 0.06 -3.63 5.49 -4.23 -0.73 -1.04 115.64 111.47 1srf s THR 40 Ca -0.04 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1srf s THR 40 Cb -0.14 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1srf s THR 40 CO 0.04 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1srf n GLY 41 N 1.62 -0.58 3.07 3.99 0.00 -1.20 0.54 105.19 112.64 1srf n GLY 41 Ca -0.21 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1srf n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1srf s THR 42 N -3.94 0.11 -0.10 2.61 -4.23 -0.05 -1.87 115.64 108.18 1srf s THR 42 Ca 0.00 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1srf s THR 42 Cb 0.00 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1srf s THR 42 CO 0.00 -0.50 -0.24 -0.47 -0.54 0.00 0.00 174.62 172.87 1srf s TYR 43 N -1.85 2.57 -0.31 3.99 6.14 0.10 -0.84 117.35 127.16 1srf s TYR 43 Ca -0.12 -1.05 0.01 0.00 0.64 0.00 0.00 57.07 56.55 1srf s TYR 43 Cb -0.06 -1.72 0.07 0.00 0.42 0.00 0.00 41.96 40.67 1srf s TYR 43 CO -0.01 -0.42 0.00 -1.21 0.64 0.00 0.00 175.55 174.55 1srf s GLU 44 N 0.37 2.13 0.21 4.97 2.02 0.34 -1.05 118.70 127.69 1srf s GLU 44 Ca -0.18 -1.49 -0.17 0.00 0.02 0.00 0.00 54.97 53.15 1srf s GLU 44 Cb -0.18 -3.15 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 1srf s GLU 44 CO 0.08 -0.73 0.67 0.45 0.02 0.00 0.00 175.26 175.75 1srf s SER 45 N 1.22 6.94 0.08 -0.19 0.15 -1.26 0.21 113.70 120.85 1srf s SER 45 Ca -0.01 1.28 0.21 0.00 0.70 0.00 0.00 55.95 58.13 1srf s SER 45 Cb -0.20 -2.37 -0.14 0.00 -1.71 0.00 0.00 66.02 61.60 1srf s SER 45 CO -0.04 0.02 0.78 0.00 1.20 0.00 0.00 173.24 175.20 1srf n ALA 46 N 0.60 2.37 -2.30 5.45 0.00 -1.26 -4.91 120.51 120.46 1srf n ALA 46 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1srf n ALA 46 Cb 0.52 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1srf n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1srf s VAL 47 N -3.23 0.99 0.00 0.00 -7.23 -1.26 -5.02 120.40 104.66 1srf s VAL 47 Ca -0.04 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1srf s VAL 47 Cb 0.10 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1srf s VAL 47 CO 0.83 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 1srf n GLY 48 N -0.35 0.96 2.66 2.32 0.00 -1.26 -4.50 105.19 105.03 1srf n GLY 48 Ca -0.06 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 1srf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1srf n ASN 49 N 0.74 2.83 -4.02 1.61 4.05 -1.26 -5.06 115.26 114.15 1srf n ASN 49 Ca 0.00 -3.19 -0.10 0.00 0.45 0.00 0.00 54.58 51.74 1srf n ASN 49 Cb 0.00 -0.71 -0.11 0.00 1.23 0.00 0.00 39.78 40.19 1srf n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1srf s ALA 50 N -1.66 0.31 -0.19 5.20 0.00 -1.26 -4.61 121.76 119.56 1srf s ALA 50 Ca 0.31 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1srf s ALA 50 Cb 0.04 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.33 1srf s ALA 50 CO -0.12 -0.13 0.50 -1.83 0.00 0.00 0.00 175.76 174.18 1srf s GLU 51 N -1.72 0.58 1.08 0.00 -1.05 -1.26 -4.97 118.70 111.36 1srf s GLU 51 Ca -0.12 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.40 1srf s GLU 51 Cb -0.08 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1srf s GLU 51 CO -0.01 -0.07 0.00 0.45 0.95 0.00 0.00 175.26 176.58 1srf n SER 52 N 2.84 -1.33 -4.93 0.83 2.88 -1.26 -4.73 113.62 107.93 1srf n SER 52 Ca -0.14 0.04 -0.26 0.00 -1.33 0.00 0.00 58.87 57.18 1srf n SER 52 Cb 0.57 -0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 1srf n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1srf s ARG 53 N -0.14 3.53 0.03 -1.46 1.70 -1.26 -4.45 118.95 116.91 1srf s ARG 53 Ca 0.00 -0.16 0.05 0.00 -0.47 0.00 0.00 55.73 55.15 1srf s ARG 53 Cb 0.00 -2.61 -0.02 0.00 -0.57 0.00 0.00 34.95 31.75 1srf s ARG 53 CO 0.00 0.11 -0.14 0.71 -1.08 0.00 0.00 175.30 174.90 1srf s TYR 54 N -2.33 1.22 0.37 5.89 1.51 -0.21 -4.77 117.35 119.03 1srf s TYR 54 Ca 0.42 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.88 1srf s TYR 54 Cb -0.10 -0.73 -0.09 0.00 -0.11 0.00 0.00 41.96 40.93 1srf s TYR 54 CO 0.36 0.03 1.16 0.08 -1.11 0.00 0.00 175.55 176.07 1srf s VAL 55 N -0.81 3.22 0.11 0.71 1.01 -1.26 0.03 120.40 123.40 1srf s VAL 55 Ca 0.02 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.13 1srf s VAL 55 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1srf s VAL 55 CO 0.01 0.13 -0.16 -1.48 0.00 0.00 0.00 175.10 173.60 1srf s LEU 56 N -2.27 2.34 -0.15 3.92 0.05 -0.78 -4.30 118.68 117.49 1srf s LEU 56 Ca 0.54 -0.73 -0.14 0.00 0.05 0.00 0.00 54.13 53.86 1srf s LEU 56 Cb -0.31 -0.64 0.04 0.00 -2.05 0.00 0.00 46.19 43.23 1srf s LEU 56 CO 0.39 -0.07 0.40 0.28 -0.55 0.00 0.00 176.35 176.81 1srf s THR 57 N -1.63 -0.00 0.10 5.48 -1.32 -1.05 -3.24 115.64 113.98 1srf s THR 57 Ca 0.06 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1srf s THR 57 Cb -0.08 -0.57 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 1srf s THR 57 CO 0.03 0.00 0.21 0.61 -2.21 0.00 0.00 174.62 173.27 1srf n GLY 58 N 2.95 1.71 3.06 6.08 0.00 -0.21 -0.71 105.19 118.07 1srf n GLY 58 Ca -0.14 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1srf n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srf s ARG 59 N -2.02 0.53 0.06 1.61 1.81 -0.49 -0.08 118.95 120.37 1srf s ARG 59 Ca 0.04 -0.96 -0.09 0.00 -1.72 0.00 0.00 55.73 53.00 1srf s ARG 59 Cb -0.01 0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1srf s ARG 59 CO 0.03 -0.05 0.19 1.52 -0.68 0.00 0.00 175.30 176.31 1srf s TYR 60 N -2.64 0.09 -0.54 -0.53 1.13 -0.16 -1.52 117.35 113.17 1srf s TYR 60 Ca -0.03 -0.38 -0.27 0.00 -1.41 0.00 0.00 57.07 54.98 1srf s TYR 60 Cb -0.01 -0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1srf s TYR 60 CO -0.05 -0.47 1.66 0.34 -2.51 0.00 0.00 175.55 174.52 1srf s ASP 61 N -2.35 5.76 0.00 -0.18 2.15 0.04 -4.61 116.67 117.47 1srf s ASP 61 Ca -0.02 0.49 0.22 0.00 0.43 0.00 0.00 52.55 53.67 1srf s ASP 61 Cb 0.01 -2.54 1.30 0.00 -0.30 0.00 0.00 42.92 41.39 1srf s ASP 61 CO -0.06 -1.97 1.74 -1.54 -0.17 0.00 0.00 175.17 173.17 1srf n SER 62 N 10.92 0.00 -3.10 -0.34 3.41 -1.26 -3.88 113.62 119.36 1srf n SER 62 Ca 0.17 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.58 1srf n SER 62 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1srf n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1srf n ALA 63 N -0.91 1.66 -1.22 7.33 0.00 -1.26 -5.03 120.51 121.09 1srf n ALA 63 Ca 0.16 -3.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.30 1srf n ALA 63 Cb 0.07 -0.92 0.17 0.00 0.00 0.00 0.00 19.45 18.77 1srf n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1srf s PRO 64 N -0.95 0.62 0.00 0.00 0.04 -1.25 -5.16 135.00 128.30 1srf s PRO 64 Ca 0.35 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1srf s PRO 64 Cb 0.20 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1srf s PRO 64 CO -0.13 -2.61 0.05 0.00 0.04 0.00 0.00 177.00 174.35 1srf n ALA 65 N -4.09 -0.01 0.00 8.56 0.00 -1.26 -5.14 120.51 118.57 1srf n ALA 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1srf n ALA 65 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1srf n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1srf n SER 69 N -0.80 -0.21 -4.59 0.00 7.64 -1.26 -5.06 113.62 109.33 1srf n SER 69 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1srf n SER 69 Cb 0.00 0.85 0.16 0.00 -1.01 0.00 0.00 64.21 64.21 1srf n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1srf s GLY 70 N -2.34 1.58 -0.27 0.23 0.00 -1.26 -4.98 107.32 100.28 1srf s GLY 70 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1srf s GLY 70 CO 0.00 0.05 0.10 -1.59 0.00 0.00 0.00 173.10 171.66 1srf s THR 71 N -3.19 4.44 0.33 0.90 2.01 0.30 -4.89 115.64 115.54 1srf s THR 71 Ca 0.66 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 1srf s THR 71 Cb -0.15 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 1srf s THR 71 CO 0.55 0.23 1.22 0.00 -0.69 0.00 0.00 174.62 175.94 1srf s ALA 72 N 1.61 3.40 0.25 7.40 0.00 -1.26 -0.34 121.76 132.82 1srf s ALA 72 Ca 0.06 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 1srf s ALA 72 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1srf s ALA 72 CO 0.05 -0.50 0.60 -0.48 0.00 0.00 0.00 175.76 175.43 1srf s LEU 73 N -1.87 -0.02 0.07 0.00 2.34 -0.33 -0.78 118.68 118.09 1srf s LEU 73 Ca 0.50 -0.69 -0.26 0.00 0.06 0.00 0.00 54.13 53.74 1srf s LEU 73 Cb -0.36 2.31 0.08 0.00 -0.56 0.00 0.00 46.19 47.66 1srf s LEU 73 CO 0.47 -1.23 0.72 -0.83 -1.06 0.00 0.00 176.35 174.42 1srf s GLY 74 N -2.94 -0.55 0.15 -3.48 0.00 -0.58 -1.53 107.32 98.39 1srf s GLY 74 Ca 0.14 0.81 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 1srf s GLY 74 CO 0.06 0.34 0.53 0.66 0.00 0.00 0.00 173.10 174.69 1srf s TRP 75 N -3.16 -0.38 0.04 1.90 -2.14 -0.36 -1.39 118.94 113.45 1srf s TRP 75 Ca 0.01 0.12 0.05 0.00 2.66 0.00 0.00 56.10 58.94 1srf s TRP 75 Cb -0.01 0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 30.79 1srf s TRP 75 CO -0.09 -0.81 -0.16 0.99 -2.66 0.00 0.00 176.95 174.22 1srf s THR 76 N -3.78 1.24 -0.10 0.66 2.01 0.11 -0.82 115.64 114.96 1srf s THR 76 Ca 0.03 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1srf s THR 76 Cb -0.00 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1srf s THR 76 CO -0.11 0.03 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.07 1srf s VAL 77 N -0.87 1.05 -0.25 3.82 1.01 -0.54 -2.53 120.40 122.09 1srf s VAL 77 Ca 0.03 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1srf s VAL 77 Cb -0.08 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1srf s VAL 77 CO 0.01 0.36 0.49 0.00 0.00 0.00 0.00 175.10 175.96 1srf s ALA 78 N 1.45 3.58 -1.14 5.51 0.00 -1.26 -0.69 121.76 129.22 1srf s ALA 78 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1srf s ALA 78 Cb -0.13 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1srf s ALA 78 CO -0.06 -0.68 2.33 0.91 0.00 0.00 0.00 175.76 178.26 1srf n TRP 79 N 5.39 1.90 -3.72 0.00 7.02 -0.22 -4.72 117.44 123.09 1srf n TRP 79 Ca -0.05 -2.34 -0.14 0.00 -1.02 0.00 0.00 57.50 53.95 1srf n TRP 79 Cb 0.50 -1.97 -0.15 0.00 -2.42 0.00 0.00 31.31 27.27 1srf n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1srf s LYS 80 N 3.26 0.07 0.00 -0.99 2.47 -1.26 -1.23 119.74 122.06 1srf s LYS 80 Ca 0.51 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 1srf s LYS 80 Cb 0.13 -0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.29 1srf s LYS 80 CO -0.03 -0.21 0.00 0.27 0.16 0.00 0.00 175.35 175.55 1srf n ASN 81 N 4.53 0.33 0.00 1.43 0.23 -0.45 -4.73 115.26 116.60 1srf n ASN 81 Ca -0.20 -0.26 0.11 0.00 -0.53 0.00 0.00 54.58 53.70 1srf n ASN 81 Cb 0.51 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.76 1srf n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1srf n ASN 82 N -0.69 0.00 -0.05 0.53 3.02 -1.26 -3.78 115.26 113.02 1srf n ASN 82 Ca 0.00 0.19 -0.07 0.00 -0.03 0.00 0.00 54.58 54.67 1srf n ASN 82 Cb 0.00 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1srf n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1srf n TYR 83 N -1.38 0.00 -4.05 3.10 4.01 -1.26 -5.08 117.16 112.49 1srf n TYR 83 Ca 0.09 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1srf n TYR 83 Cb 0.22 -0.43 -0.09 0.00 -0.31 0.00 0.00 39.34 38.72 1srf n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1srf s ARG 84 N -2.22 0.75 -0.12 -0.72 0.52 -1.25 -5.06 118.95 110.85 1srf s ARG 84 Ca -0.14 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 53.82 1srf s ARG 84 Cb 0.04 0.25 0.06 0.00 0.52 0.00 0.00 34.95 35.81 1srf s ARG 84 CO 0.27 -0.19 0.17 1.21 0.02 0.00 0.00 175.30 176.78 1srf s ASN 85 N -2.94 1.04 0.00 0.23 2.47 -1.26 -1.35 114.94 113.14 1srf s ASN 85 Ca 0.11 0.12 0.23 0.00 0.42 0.00 0.00 52.86 53.74 1srf s ASN 85 Cb 0.07 0.25 0.20 0.00 -1.45 0.00 0.00 41.25 40.32 1srf s ASN 85 CO -0.07 -0.27 1.25 0.00 -3.72 0.00 0.00 177.10 174.29 1srf n ALA 86 N 5.32 2.46 -3.87 1.71 0.00 -0.37 -4.98 120.51 120.78 1srf n ALA 86 Ca -0.05 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 1srf n ALA 86 Cb 0.50 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1srf n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1srf n HIS 87 N 1.33 -1.71 -3.53 0.00 -0.00 -1.26 -4.82 115.22 105.23 1srf n HIS 87 Ca 0.14 0.59 -0.13 0.00 -0.00 0.00 0.00 57.72 58.32 1srf n HIS 87 Cb 0.59 -3.57 -0.04 0.00 -0.00 0.00 0.00 29.99 26.97 1srf n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1srf s SER 88 N -4.01 -0.47 0.01 0.41 1.04 -1.26 -0.99 113.70 108.43 1srf s SER 88 Ca 0.20 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1srf s SER 88 Cb -0.08 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1srf s SER 88 CO 0.89 -0.82 -0.01 0.00 0.98 0.00 0.00 173.24 174.28 1srf s ALA 89 N -3.02 0.03 -0.03 5.32 0.00 -0.10 -1.05 121.76 122.92 1srf s ALA 89 Ca -0.02 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1srf s ALA 89 Cb -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1srf s ALA 89 CO -0.06 -0.06 -0.17 0.99 0.00 0.00 0.00 175.76 176.46 1srf s THR 90 N -0.53 2.84 -0.12 0.00 2.01 0.14 -0.39 115.64 119.59 1srf s THR 90 Ca -0.06 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1srf s THR 90 Cb -0.04 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1srf s THR 90 CO -0.00 0.54 -0.23 0.42 -0.69 0.00 0.00 174.62 174.66 1srf s THR 91 N -0.75 2.03 -0.17 -0.82 -4.23 0.10 -1.47 115.64 110.33 1srf s THR 91 Ca 0.12 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1srf s THR 91 Cb -0.10 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1srf s THR 91 CO 0.01 0.55 0.03 0.26 -0.54 0.00 0.00 174.62 174.93 1srf s TRP 92 N 0.59 3.17 -0.09 3.99 0.51 0.00 -0.75 118.94 126.36 1srf s TRP 92 Ca -0.13 -0.05 0.03 0.00 -2.12 0.00 0.00 56.10 53.83 1srf s TRP 92 Cb -0.17 -2.03 0.01 0.00 -0.81 0.00 0.00 33.47 30.47 1srf s TRP 92 CO 0.03 0.10 -0.19 0.45 -0.51 0.00 0.00 176.95 176.84 1srf s SER 93 N 0.32 2.57 0.00 2.95 0.15 0.38 -1.22 113.70 118.84 1srf s SER 93 Ca 0.01 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1srf s SER 93 Cb -0.13 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1srf s SER 93 CO 0.01 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1srf n GLY 94 N 3.75 1.48 3.12 9.45 0.00 -0.58 -0.79 105.19 121.62 1srf n GLY 94 Ca -0.20 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1srf n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1srf s GLN 95 N 1.56 0.40 -0.00 1.61 -2.07 -0.54 -1.19 119.66 119.43 1srf s GLN 95 Ca 0.00 -0.02 -0.19 0.00 -1.82 0.00 0.00 55.36 53.33 1srf s GLN 95 Cb 0.00 0.18 -0.06 0.00 -1.09 0.00 0.00 33.01 32.04 1srf s GLN 95 CO 0.00 -0.08 0.55 -0.47 -1.32 0.00 0.00 175.29 173.97 1srf s TYR 96 N -0.64 3.69 -0.15 9.60 5.04 0.53 -1.31 117.35 134.13 1srf s TYR 96 Ca -0.07 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1srf s TYR 96 Cb -0.04 -2.54 0.04 0.00 0.35 0.00 0.00 41.96 39.77 1srf s TYR 96 CO 0.01 0.41 -0.05 0.08 -1.34 0.00 0.00 175.55 174.66 1srf s VAL 97 N -0.38 1.01 0.69 3.14 1.01 0.12 -0.54 120.40 125.45 1srf s VAL 97 Ca 0.29 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1srf s VAL 97 Cb -0.18 -1.16 0.10 0.00 0.00 0.00 0.00 36.38 35.15 1srf s VAL 97 CO 0.16 0.19 0.96 -0.83 0.00 0.00 0.00 175.10 175.58 1srf s GLY 98 N 1.69 1.77 0.00 4.51 0.00 -1.26 -1.30 107.32 112.72 1srf s GLY 98 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1srf s GLY 98 CO -0.08 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1srf n GLY 99 N -2.76 0.72 0.43 0.20 0.00 -1.26 -4.80 105.19 97.71 1srf n GLY 99 Ca 0.13 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 1srf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srf h ALA 100 N 0.00 -1.02 -2.87 4.61 0.00 -2.07 -3.33 119.26 114.58 1srf h ALA 100 Ca 0.00 -0.13 -0.78 0.00 0.00 0.00 0.00 54.91 54.00 1srf h ALA 100 Cb 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 17.79 18.27 1srf h ALA 100 CO 0.00 -1.09 0.03 -1.83 0.00 0.00 0.00 179.25 176.36 1srf s GLU 101 N -5.41 3.46 0.18 0.00 -1.05 -1.26 -5.05 118.70 109.57 1srf s GLU 101 Ca -0.15 -2.47 -0.30 0.00 -0.15 0.00 0.00 54.97 51.90 1srf s GLU 101 Cb 0.04 -4.33 -0.09 0.00 -0.44 0.00 0.00 34.13 29.31 1srf s GLU 101 CO 0.52 -1.28 1.33 0.00 0.95 0.00 0.00 175.26 176.78 1srf s ALA 102 N 0.13 3.54 0.02 -0.84 0.00 -1.25 -4.83 121.76 118.53 1srf s ALA 102 Ca 0.18 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1srf s ALA 102 Cb -0.12 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1srf s ALA 102 CO -0.08 -0.56 0.23 1.03 0.00 0.00 0.00 175.76 176.38 1srf s ARG 103 N 0.15 0.66 -0.23 0.00 0.52 -0.42 -3.35 118.95 116.28 1srf s ARG 103 Ca 0.59 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1srf s ARG 103 Cb -0.37 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.43 1srf s ARG 103 CO 0.37 -0.19 -0.12 0.42 0.02 0.00 0.00 175.30 175.80 1srf s ILE 104 N -1.99 1.98 -0.25 1.52 1.01 -0.73 0.16 121.20 122.89 1srf s ILE 104 Ca -0.09 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.11 1srf s ILE 104 Cb -0.03 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1srf s ILE 104 CO -0.00 0.11 0.16 0.20 0.00 0.00 0.00 174.94 175.40 1srf s ASN 105 N 1.22 6.02 0.18 3.58 0.01 -0.42 -0.92 114.94 124.61 1srf s ASN 105 Ca -0.05 0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 1srf s ASN 105 Cb -0.18 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1srf s ASN 105 CO -0.07 0.03 -0.03 0.42 -1.51 0.00 0.00 177.10 175.94 1srf s THR 106 N 1.26 0.94 0.06 1.60 -4.23 0.03 -1.46 115.64 113.84 1srf s THR 106 Ca 0.07 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1srf s THR 106 Cb -0.14 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1srf s THR 106 CO 0.06 -0.52 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.30 1srf s GLN 107 N -3.85 1.36 0.09 3.99 -0.21 0.03 -2.30 119.66 118.77 1srf s GLN 107 Ca 0.23 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.61 1srf s GLN 107 Cb 0.05 -1.53 -0.04 0.00 1.00 0.00 0.00 33.01 32.49 1srf s GLN 107 CO 0.04 0.38 -0.08 1.67 -2.12 0.00 0.00 175.29 175.18 1srf s TRP 108 N -0.90 0.91 -0.09 0.91 1.48 -0.46 -0.47 118.94 120.32 1srf s TRP 108 Ca 0.08 -0.73 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 1srf s TRP 108 Cb -0.09 -0.52 0.01 0.00 -1.16 0.00 0.00 33.47 31.71 1srf s TRP 108 CO 0.03 -0.08 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.16 1srf s LEU 109 N -2.52 1.82 -0.27 -4.66 1.43 0.07 -1.64 118.68 112.91 1srf s LEU 109 Ca 0.05 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1srf s LEU 109 Cb -0.01 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1srf s LEU 109 CO -0.02 0.07 -0.03 -0.22 0.23 0.00 0.00 176.35 176.38 1srf s LEU 110 N 0.62 3.53 -0.11 1.79 2.96 0.22 0.03 118.68 127.72 1srf s LEU 110 Ca -0.14 -1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 52.69 1srf s LEU 110 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1srf s LEU 110 CO 0.04 -0.19 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.93 1srf s THR 111 N 1.29 3.68 -0.00 3.68 2.01 0.48 -0.95 115.64 125.83 1srf s THR 111 Ca -0.03 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1srf s THR 111 Cb -0.18 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1srf s THR 111 CO -0.03 0.55 0.08 -0.44 -0.69 0.00 0.00 174.62 174.09 1srf s SER 112 N -0.23 5.65 0.15 3.53 0.01 -0.44 -0.92 113.70 121.45 1srf s SER 112 Ca 0.03 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1srf s SER 112 Cb -0.13 -1.61 -0.07 0.00 0.21 0.00 0.00 66.02 64.41 1srf s SER 112 CO 0.03 0.27 1.17 -0.83 0.41 0.00 0.00 173.24 174.29 1srf s GLY 113 N -1.76 2.65 0.13 3.44 0.00 -0.16 -4.84 107.32 106.77 1srf s GLY 113 Ca 0.23 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 45.79 1srf s GLY 113 CO 0.14 1.85 0.15 -0.51 0.00 0.00 0.00 173.10 174.74 1srf s THR 114 N 0.18 0.11 0.86 0.90 -4.23 -1.26 -5.00 115.64 107.20 1srf s THR 114 Ca 0.53 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1srf s THR 114 Cb -0.31 -1.79 0.11 0.00 1.34 0.00 0.00 72.50 71.85 1srf s THR 114 CO 0.34 -0.50 1.09 0.42 -0.54 0.00 0.00 174.62 175.44 1srf s THR 115 N -3.97 2.83 0.42 3.99 -4.23 -1.26 -4.81 115.64 108.61 1srf s THR 115 Ca 0.16 0.27 0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1srf s THR 115 Cb 0.06 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.45 1srf s THR 115 CO -0.02 -0.35 1.98 -0.33 -0.54 0.00 0.00 174.62 175.35 1srf h GLU 116 N -1.43 0.44 -0.16 3.99 4.39 -2.01 -1.90 114.58 117.91 1srf h GLU 116 Ca -0.48 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.11 1srf h GLU 116 Cb 1.27 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1srf h GLU 116 CO 0.54 0.29 -0.28 0.00 -1.16 0.00 0.00 179.01 178.41 1srf h ALA 117 N 1.68 1.23 -0.03 3.43 0.00 -2.06 -3.19 119.26 120.32 1srf h ALA 117 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1srf h ALA 117 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1srf h ALA 117 CO -0.08 0.51 -0.09 0.09 0.00 0.00 0.00 179.25 179.68 1srf n ASN 118 N -4.13 2.81 0.27 0.00 3.02 -0.76 -4.57 115.26 111.91 1srf n ASN 118 Ca -0.01 -1.90 0.12 0.00 -0.03 0.00 0.00 54.58 52.76 1srf n ASN 118 Cb 0.39 0.09 0.79 0.00 -0.61 0.00 0.00 39.78 40.44 1srf n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1srf h ALA 119 N 4.53 1.75 -0.30 5.41 0.00 -1.43 -2.11 119.26 127.11 1srf h ALA 119 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1srf h ALA 119 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1srf h ALA 119 CO 0.00 -0.02 0.12 0.11 0.00 0.00 0.00 179.25 179.46 1srf h TRP 120 N 0.00 0.40 -0.86 0.00 5.08 -1.82 -2.33 115.95 116.43 1srf h TRP 120 Ca 0.01 -0.01 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 1srf h TRP 120 Cb 0.03 -0.13 -0.35 0.00 -3.00 0.00 0.00 29.16 25.71 1srf h TRP 120 CO 0.00 0.32 -0.00 0.36 -1.28 0.00 0.00 178.44 177.84 1srf n LYS 121 N -4.42 3.13 0.01 0.12 0.00 -0.80 -4.68 118.16 111.52 1srf n LYS 121 Ca 0.01 -3.73 0.12 0.00 -0.00 0.00 0.00 58.31 54.71 1srf n LYS 121 Cb 0.13 -2.27 0.14 0.00 -0.00 0.00 0.00 35.03 33.02 1srf n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1srf n SER 122 N -0.82 0.62 -4.05 -5.58 3.41 -0.88 -4.89 113.62 101.43 1srf n SER 122 Ca 0.53 -0.35 -0.31 0.00 -0.26 0.00 0.00 58.87 58.48 1srf n SER 122 Cb 0.83 0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 65.09 1srf n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1srf s THR 123 N -3.04 1.70 0.11 6.66 2.01 -1.26 -1.33 115.64 120.48 1srf s THR 123 Ca 0.09 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.26 1srf s THR 123 Cb 0.16 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 1srf s THR 123 CO 0.75 0.48 0.44 -0.76 -0.69 0.00 0.00 174.62 174.84 1srf s LEU 124 N 1.35 4.33 0.01 4.42 1.43 -0.12 -4.92 118.68 125.17 1srf s LEU 124 Ca 0.03 0.85 0.06 0.00 -1.03 0.00 0.00 54.13 54.04 1srf s LEU 124 Cb -0.13 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1srf s LEU 124 CO -0.10 0.13 -0.18 0.54 0.23 0.00 0.00 176.35 176.97 1srf s VAL 125 N -1.46 1.47 0.02 -1.59 0.11 -1.26 -0.61 120.40 117.08 1srf s VAL 125 Ca 0.36 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 1srf s VAL 125 Cb -0.14 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 1srf s VAL 125 CO 0.19 0.29 0.04 0.61 -3.33 0.00 0.00 175.10 172.90 1srf n GLY 126 N 2.29 2.26 3.04 6.54 0.00 -0.65 -4.99 105.19 113.67 1srf n GLY 126 Ca -0.16 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1srf n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1srf s HIS 127 N -7.55 -0.18 -0.00 1.61 -3.43 -1.26 -1.35 115.29 103.12 1srf s HIS 127 Ca 0.01 0.45 0.03 0.00 -0.80 0.00 0.00 55.06 54.75 1srf s HIS 127 Cb -0.00 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.20 1srf s HIS 127 CO 0.01 -0.09 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.05 1srf s ASP 128 N 0.11 1.22 -0.17 7.38 1.01 -0.97 -4.98 116.67 120.26 1srf s ASP 128 Ca -0.00 -0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.06 1srf s ASP 128 Cb -0.01 -0.13 0.02 0.00 1.01 0.00 0.00 42.92 43.81 1srf s ASP 128 CO 0.00 0.11 -0.20 -0.89 0.21 0.00 0.00 175.17 174.40 1srf s THR 129 N -0.32 2.02 -0.13 -1.27 2.01 -1.26 -0.79 115.64 115.90 1srf s THR 129 Ca 0.03 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1srf s THR 129 Cb -0.04 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1srf s THR 129 CO -0.00 0.54 0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 1srf s PHE 130 N 1.18 3.22 -0.10 4.92 0.40 -0.10 -3.30 117.98 124.21 1srf s PHE 130 Ca 0.02 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1srf s PHE 130 Cb -0.14 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 1srf s PHE 130 CO -0.10 0.33 -0.18 0.99 0.70 0.00 0.00 175.22 176.97 1srf s THR 131 N -0.34 2.67 0.10 0.64 2.01 0.73 -1.78 115.64 119.67 1srf s THR 131 Ca 0.08 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 1srf s THR 131 Cb -0.12 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 1srf s THR 131 CO 0.02 0.55 0.90 -0.75 -0.69 0.00 0.00 174.62 174.65 1srf s LYS 132 N 0.08 4.65 0.00 4.92 2.20 -1.21 -1.33 119.74 129.05 1srf s LYS 132 Ca -0.08 1.34 0.11 0.00 -0.36 0.00 0.00 55.97 56.98 1srf s LYS 132 Cb -0.15 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1srf s LYS 132 CO 0.05 0.26 0.84 1.33 -0.36 0.00 0.00 175.35 177.48