#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srf h GLY 16 N 0.00 -0.95 1.12 0.00 0.00 -2.02 -3.30 103.07 97.92 1srf h GLY 16 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 47.33 47.51 1srf h GLY 16 CO 0.00 -0.32 -0.80 -2.22 0.00 0.00 0.00 176.54 173.21 1srf h ILE 17 N -0.66 1.29 -3.03 2.60 2.04 -1.98 -3.44 117.51 114.34 1srf h ILE 17 Ca -0.05 -2.02 -0.56 0.00 1.00 0.00 0.00 64.86 63.23 1srf h ILE 17 Cb 0.54 2.13 0.09 0.00 -0.74 0.00 0.00 36.82 38.84 1srf h ILE 17 CO 0.03 0.63 0.74 0.41 0.00 0.00 0.00 178.15 179.96 1srf n THR 18 N -3.97 1.06 -1.57 -0.27 -1.04 -1.24 -4.77 114.28 102.47 1srf n THR 18 Ca -0.09 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1srf n THR 18 Cb 0.76 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1srf n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1srf n GLY 19 N 2.06 0.23 3.27 3.41 0.00 -0.79 -4.88 105.19 108.49 1srf n GLY 19 Ca 0.10 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.69 2.35 0.24 2.61 2.01 -1.26 -1.16 115.64 117.75 1srf s THR 20 Ca 0.00 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1srf s THR 20 Cb 0.00 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1srf s THR 20 CO 0.00 0.55 -0.06 0.26 -0.69 0.00 0.00 174.62 174.68 1srf s TRP 21 N 0.29 1.76 -0.01 4.92 0.52 0.78 -4.56 118.94 122.64 1srf s TRP 21 Ca -0.15 -0.73 0.02 0.00 0.02 0.00 0.00 56.10 55.25 1srf s TRP 21 Cb -0.17 -0.97 -0.00 0.00 -1.15 0.00 0.00 33.47 31.18 1srf s TRP 21 CO 0.08 0.20 -0.06 0.71 0.02 0.00 0.00 176.95 177.89 1srf s TYR 22 N -3.13 0.59 0.72 -1.98 1.51 0.28 -0.84 117.35 114.51 1srf s TYR 22 Ca 0.27 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 1srf s TYR 22 Cb 0.03 -0.40 0.14 0.00 -0.11 0.00 0.00 41.96 41.62 1srf s TYR 22 CO 0.09 -0.03 0.99 0.54 -1.11 0.00 0.00 175.55 176.04 1srf s ASN 23 N -0.04 4.32 0.54 2.29 2.20 -1.00 -1.14 114.94 122.12 1srf s ASN 23 Ca 0.01 -0.52 0.24 0.00 -0.94 0.00 0.00 52.86 51.64 1srf s ASN 23 Cb -0.04 0.20 1.44 0.00 -2.00 0.00 0.00 41.25 40.85 1srf s ASN 23 CO -0.00 -1.89 2.07 0.06 -2.94 0.00 0.00 177.10 174.40 1srf h GLN 24 N -0.50 0.00 0.00 3.55 -0.00 -1.91 -0.90 115.11 115.35 1srf h GLN 24 Ca -0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.23 1srf h GLN 24 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.73 1srf h GLN 24 CO 0.38 0.00 -0.39 -0.07 -0.00 0.00 0.00 178.83 178.75 1srf h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.93 -3.47 115.31 113.35 1srf h LEU 25 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1srf h LEU 25 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1srf h LEU 25 CO -0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1srf n GLY 26 N 0.92 0.94 3.79 0.83 0.00 -0.34 -4.82 105.19 106.51 1srf n GLY 26 Ca 0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.05 6.15 -0.16 1.61 0.01 -1.26 -4.64 113.70 113.35 1srf s SER 27 Ca 0.00 2.04 -0.04 0.00 1.31 0.00 0.00 55.95 59.26 1srf s SER 27 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1srf s SER 27 CO 0.00 -0.92 -0.03 -0.89 0.41 0.00 0.00 173.24 171.81 1srf s THR 28 N -1.86 3.87 -0.32 1.44 2.01 0.16 -2.37 115.64 118.57 1srf s THR 28 Ca 0.68 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 1srf s THR 28 Cb -0.20 -2.71 0.07 0.00 0.01 0.00 0.00 72.50 69.68 1srf s THR 28 CO 0.23 0.48 0.02 0.12 -0.69 0.00 0.00 174.62 174.79 1srf s PHE 29 N 0.49 3.40 -0.32 4.92 5.36 -0.02 0.03 117.98 131.83 1srf s PHE 29 Ca -0.03 -2.22 -0.12 0.00 -0.96 0.00 0.00 56.93 53.60 1srf s PHE 29 Cb -0.14 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 1srf s PHE 29 CO 0.03 -0.87 0.22 0.42 -1.46 0.00 0.00 175.22 173.56 1srf s ILE 30 N 1.15 5.26 0.02 3.12 1.01 -0.38 -0.15 121.20 131.23 1srf s ILE 30 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1srf s ILE 30 Cb -0.20 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1srf s ILE 30 CO -0.03 0.07 -0.13 0.54 0.00 0.00 0.00 174.94 175.39 1srf s VAL 31 N 1.73 1.03 -0.16 2.92 0.11 -0.31 -1.50 120.40 124.22 1srf s VAL 31 Ca 0.06 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 1srf s VAL 31 Cb -0.17 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1srf s VAL 31 CO 0.10 0.08 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.89 1srf s THR 32 N -0.67 2.44 -0.27 5.04 2.01 0.78 -1.88 115.64 123.09 1srf s THR 32 Ca 0.02 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1srf s THR 32 Cb -0.07 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1srf s THR 32 CO 0.01 0.52 0.16 0.00 -0.69 0.00 0.00 174.62 174.61 1srf s ALA 33 N 0.95 3.44 0.64 7.40 0.00 -1.26 -1.27 121.76 131.65 1srf s ALA 33 Ca -0.03 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1srf s ALA 33 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1srf s ALA 33 CO -0.03 -0.51 1.04 0.20 0.00 0.00 0.00 175.76 176.46 1srf s GLY 34 N 1.67 1.77 0.53 0.00 0.00 0.72 -4.90 107.32 107.11 1srf s GLY 34 Ca 0.07 0.08 0.32 0.00 0.00 0.00 0.00 44.72 45.18 1srf s GLY 34 CO 0.09 0.37 1.91 0.00 0.00 0.00 0.00 173.10 175.47 1srf h ALA 35 N -0.27 1.00 -0.00 3.20 0.00 -1.98 -2.81 119.26 118.40 1srf h ALA 35 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1srf h ALA 35 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1srf h ALA 35 CO 0.59 0.00 -0.29 -0.40 0.00 0.00 0.00 179.25 179.15 1srf n ASP 36 N -3.10 0.43 0.00 0.00 5.75 -1.26 -4.90 116.55 113.47 1srf n ASP 36 Ca 0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1srf n ASP 36 Cb 0.35 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.45 1.06 3.80 6.12 0.00 -1.06 -4.89 105.19 111.67 1srf n GLY 37 Ca 0.08 0.00 -0.38 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 3.50 -0.10 4.61 0.00 -1.26 -0.40 121.76 126.12 1srf s ALA 38 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1srf s ALA 38 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1srf s ALA 38 CO 0.00 0.35 -0.17 -0.51 0.00 0.00 0.00 175.76 175.43 1srf s LEU 39 N -1.33 2.52 0.02 0.00 1.43 -0.15 -0.20 118.68 120.98 1srf s LEU 39 Ca 0.35 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1srf s LEU 39 Cb -0.20 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1srf s LEU 39 CO 0.22 0.21 -0.00 0.42 0.23 0.00 0.00 176.35 177.43 1srf s THR 40 N 0.07 0.12 -4.69 5.49 -4.23 -0.40 -1.22 115.64 110.77 1srf s THR 40 Ca -0.07 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1srf s THR 40 Cb -0.15 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1srf s THR 40 CO 0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1srf n GLY 41 N 1.37 -0.50 3.17 3.99 0.00 -1.05 -0.15 105.19 112.02 1srf n GLY 41 Ca -0.22 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1srf n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1srf s THR 42 N -3.15 1.10 -0.10 2.61 2.01 -0.56 -0.91 115.64 116.64 1srf s THR 42 Ca 0.00 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.71 1srf s THR 42 Cb 0.00 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1srf s THR 42 CO 0.00 -0.23 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.12 1srf s TYR 43 N -1.28 1.63 -0.31 4.92 6.14 0.21 -1.25 117.35 127.41 1srf s TYR 43 Ca -0.02 -0.77 -0.03 0.00 0.64 0.00 0.00 57.07 56.89 1srf s TYR 43 Cb -0.10 -1.26 0.05 0.00 0.42 0.00 0.00 41.96 41.07 1srf s TYR 43 CO 0.02 -0.46 0.02 -2.00 0.64 0.00 0.00 175.55 173.78 1srf s GLU 44 N 1.26 2.51 0.39 4.97 2.12 0.10 0.76 118.70 130.81 1srf s GLU 44 Ca -0.03 -1.22 -0.18 0.00 0.36 0.00 0.00 54.97 53.90 1srf s GLU 44 Cb -0.14 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 1srf s GLU 44 CO -0.04 -0.62 0.86 0.45 -0.54 0.00 0.00 175.26 175.37 1srf s SER 45 N 1.30 6.84 -0.02 -1.70 0.15 -1.26 0.36 113.70 119.37 1srf s SER 45 Ca -0.04 1.50 0.12 0.00 0.70 0.00 0.00 55.95 58.22 1srf s SER 45 Cb -0.20 -2.46 0.34 0.00 -1.71 0.00 0.00 66.02 61.99 1srf s SER 45 CO -0.00 -0.31 1.28 0.00 1.20 0.00 0.00 173.24 175.41 1srf n ALA 46 N -0.61 2.27 -3.79 5.45 0.00 -1.26 -4.91 120.51 117.66 1srf n ALA 46 Ca 0.05 -1.27 -0.06 0.00 0.00 0.00 0.00 53.44 52.17 1srf n ALA 46 Cb 0.54 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1srf n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1srf n VAL 47 N 0.45 0.00 -4.19 0.00 0.24 -1.26 -4.98 118.33 108.59 1srf n VAL 47 Ca 0.13 -1.18 0.02 0.00 -2.04 0.00 0.00 64.34 61.27 1srf n VAL 47 Cb 0.48 0.91 -0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1srf n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1srf n GLY 48 N -0.48 -1.41 2.69 7.63 0.00 -1.26 -4.26 105.19 108.09 1srf n GLY 48 Ca -0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.83 5.19 -3.98 1.61 4.05 -1.26 -4.91 115.26 114.13 1srf n ASN 49 Ca 0.00 -2.91 -0.08 0.00 0.45 0.00 0.00 54.58 52.04 1srf n ASN 49 Cb 0.06 -1.57 -0.09 0.00 1.23 0.00 0.00 39.78 39.41 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 1.92 0.15 -0.30 5.20 0.00 -1.26 -4.56 121.76 122.91 1srf s ALA 50 Ca 0.48 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1srf s ALA 50 Cb 0.14 0.43 0.13 0.00 0.00 0.00 0.00 23.12 23.81 1srf s ALA 50 CO -0.06 -0.46 0.70 -1.83 0.00 0.00 0.00 175.76 174.12 1srf s GLU 51 N -3.90 0.56 0.00 0.00 -1.05 -1.26 -4.92 118.70 108.13 1srf s GLU 51 Ca 0.07 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 1srf s GLU 51 Cb 0.06 0.73 0.00 0.00 -0.44 0.00 0.00 34.13 34.48 1srf s GLU 51 CO -0.09 -0.18 0.00 0.45 0.95 0.00 0.00 175.26 176.39 1srf n SER 52 N 5.23 0.00 -4.92 0.83 2.88 -1.26 -4.60 113.62 111.78 1srf n SER 52 Ca -0.13 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.14 1srf n SER 52 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1srf n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1srf s ARG 53 N 0.00 3.35 0.06 -1.46 0.52 -1.26 -4.20 118.95 115.96 1srf s ARG 53 Ca 0.00 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1srf s ARG 53 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1srf s ARG 53 CO 0.00 0.53 -0.20 0.71 0.02 0.00 0.00 175.30 176.36 1srf s TYR 54 N -1.69 1.78 0.28 -0.53 1.51 0.23 -4.83 117.35 114.10 1srf s TYR 54 Ca 0.34 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.72 1srf s TYR 54 Cb -0.11 -1.04 -0.10 0.00 -0.11 0.00 0.00 41.96 40.60 1srf s TYR 54 CO 0.28 0.12 1.17 0.08 -1.11 0.00 0.00 175.55 176.08 1srf s VAL 55 N -0.89 3.30 0.09 0.71 1.01 -1.26 0.65 120.40 124.01 1srf s VAL 55 Ca 0.07 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.37 1srf s VAL 55 Cb -0.09 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1srf s VAL 55 CO 0.02 0.29 -0.14 -1.48 0.00 0.00 0.00 175.10 173.79 1srf s LEU 56 N -1.32 2.34 -0.01 3.92 0.05 -0.09 -4.31 118.68 119.25 1srf s LEU 56 Ca 0.47 -0.71 -0.06 0.00 0.05 0.00 0.00 54.13 53.88 1srf s LEU 56 Cb -0.34 -0.50 0.00 0.00 -2.05 0.00 0.00 46.19 43.30 1srf s LEU 56 CO 0.43 -0.12 0.12 0.28 -0.55 0.00 0.00 176.35 176.51 1srf s THR 57 N -1.72 0.07 0.06 5.48 -1.32 -1.07 -2.54 115.64 114.60 1srf s THR 57 Ca 0.03 -0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 59.91 1srf s THR 57 Cb -0.07 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 1srf s THR 57 CO 0.02 -0.31 0.17 0.61 -2.21 0.00 0.00 174.62 172.90 1srf n GLY 58 N 1.80 1.57 3.04 6.08 0.00 -0.36 -0.76 105.19 116.56 1srf n GLY 58 Ca -0.21 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.01 0.47 0.08 1.61 1.81 -0.63 -0.97 118.95 119.31 1srf s ARG 59 Ca 0.04 -0.92 -0.11 0.00 -1.72 0.00 0.00 55.73 53.01 1srf s ARG 59 Cb -0.01 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.63 1srf s ARG 59 CO 0.02 -0.07 0.26 1.52 -0.68 0.00 0.00 175.30 176.35 1srf s TYR 60 N -2.65 0.01 -0.51 -0.53 1.13 0.47 -1.23 117.35 114.05 1srf s TYR 60 Ca -0.04 -0.34 -0.28 0.00 -1.41 0.00 0.00 57.07 55.00 1srf s TYR 60 Cb -0.01 0.05 -0.00 0.00 -1.10 0.00 0.00 41.96 40.89 1srf s TYR 60 CO -0.05 -0.56 1.59 0.34 -2.51 0.00 0.00 175.55 174.36 1srf s ASP 61 N -2.63 5.91 0.00 -0.18 2.15 -0.28 -4.50 116.67 117.14 1srf s ASP 61 Ca 0.02 0.57 0.31 0.00 0.43 0.00 0.00 52.55 53.88 1srf s ASP 61 Cb 0.03 -2.54 1.72 0.00 -0.30 0.00 0.00 42.92 41.83 1srf s ASP 61 CO -0.09 -1.83 2.14 -1.54 -0.17 0.00 0.00 175.17 173.69 1srf n SER 62 N 10.34 0.00 -3.15 -0.34 3.41 -1.26 -3.92 113.62 118.70 1srf n SER 62 Ca 0.17 -0.59 -0.19 0.00 -0.26 0.00 0.00 58.87 58.00 1srf n SER 62 Cb 0.49 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.14 1.89 -0.63 7.33 0.00 -1.26 -5.00 120.51 121.70 1srf n ALA 63 Ca 0.19 -3.22 -0.30 0.00 0.00 0.00 0.00 53.44 50.11 1srf n ALA 63 Cb 0.17 -0.91 0.20 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.69 0.23 0.00 0.00 0.04 -1.25 -5.16 135.00 127.17 1srf s PRO 64 Ca 0.37 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1srf s PRO 64 Cb 0.27 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1srf s PRO 64 CO -0.10 -3.08 0.13 0.00 0.04 0.00 0.00 177.00 173.99 1srf n ALA 65 N -4.52 0.00 -0.07 8.56 0.00 -1.26 -5.15 120.51 118.07 1srf n ALA 65 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1srf n ALA 65 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1srf n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1srf n SER 69 N -0.14 2.73 -4.89 0.00 2.88 -1.26 -5.10 113.62 107.85 1srf n SER 69 Ca 0.00 -0.06 -0.30 0.00 -1.33 0.00 0.00 58.87 57.18 1srf n SER 69 Cb 0.00 -0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1srf n SER 69 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1srf s GLY 70 N -5.17 1.63 -0.31 0.46 0.00 -1.26 -4.97 107.32 97.69 1srf s GLY 70 Ca -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.10 1srf s GLY 70 CO 0.36 0.01 0.14 -1.59 0.00 0.00 0.00 173.10 172.02 1srf s THR 71 N -3.37 4.44 0.37 0.90 2.01 -0.37 -4.92 115.64 114.71 1srf s THR 71 Ca 0.58 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 1srf s THR 71 Cb -0.11 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 1srf s THR 71 CO 0.51 0.03 1.21 0.00 -0.69 0.00 0.00 174.62 175.69 1srf s ALA 72 N 1.58 3.27 0.27 7.40 0.00 -1.26 -0.72 121.76 132.30 1srf s ALA 72 Ca 0.04 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1srf s ALA 72 Cb -0.17 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1srf s ALA 72 CO 0.05 -0.57 0.69 -0.48 0.00 0.00 0.00 175.76 175.46 1srf s LEU 73 N -2.23 -0.21 -0.02 0.00 2.34 -0.25 -1.12 118.68 117.18 1srf s LEU 73 Ca 0.54 -0.62 -0.29 0.00 0.06 0.00 0.00 54.13 53.82 1srf s LEU 73 Cb -0.34 2.63 0.10 0.00 -0.56 0.00 0.00 46.19 48.03 1srf s LEU 73 CO 0.44 -1.32 0.90 -0.83 -1.06 0.00 0.00 176.35 174.48 1srf s GLY 74 N -2.92 -0.45 0.19 -3.48 0.00 -0.36 -1.46 107.32 98.84 1srf s GLY 74 Ca 0.12 1.11 -0.20 0.00 0.00 0.00 0.00 44.72 45.75 1srf s GLY 74 CO 0.06 0.41 0.59 0.66 0.00 0.00 0.00 173.10 174.82 1srf s TRP 75 N -2.91 -0.30 0.08 1.90 -2.14 -0.23 -1.60 118.94 113.73 1srf s TRP 75 Ca 0.04 -0.01 0.06 0.00 2.66 0.00 0.00 56.10 58.85 1srf s TRP 75 Cb -0.01 0.51 -0.03 0.00 -3.10 0.00 0.00 33.47 30.84 1srf s TRP 75 CO -0.08 -0.94 -0.17 0.99 -2.66 0.00 0.00 176.95 174.09 1srf s THR 76 N -3.83 1.35 -0.09 0.66 2.01 0.06 -0.26 115.64 115.55 1srf s THR 76 Ca 0.06 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.71 1srf s THR 76 Cb -0.02 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1srf s THR 76 CO -0.05 -0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.99 1srf s VAL 77 N -1.17 0.90 -0.16 3.82 1.01 0.19 -2.61 120.40 122.38 1srf s VAL 77 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1srf s VAL 77 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1srf s VAL 77 CO 0.03 0.33 0.36 0.00 0.00 0.00 0.00 175.10 175.82 1srf s ALA 78 N 1.38 3.55 -1.39 5.51 0.00 -1.26 -0.47 121.76 129.08 1srf s ALA 78 Ca -0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 1srf s ALA 78 Cb -0.14 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 1srf s ALA 78 CO -0.04 -0.02 2.94 0.91 0.00 0.00 0.00 175.76 179.55 1srf n TRP 79 N 3.81 2.19 -4.08 0.00 7.02 0.12 -4.79 117.44 121.70 1srf n TRP 79 Ca -0.10 -2.87 -0.19 0.00 -1.02 0.00 0.00 57.50 53.32 1srf n TRP 79 Cb 0.52 -2.28 -0.16 0.00 -2.42 0.00 0.00 31.31 26.96 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 1.44 0.67 0.00 -0.99 2.20 -1.26 -0.14 119.74 121.65 1srf s LYS 80 Ca 0.67 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1srf s LYS 80 Cb 0.20 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1srf s LYS 80 CO -0.06 -0.10 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 1srf n ASN 81 N 4.10 0.23 0.24 1.43 0.23 -0.07 -4.79 115.26 116.64 1srf n ASN 81 Ca -0.25 -0.45 0.13 0.00 -0.53 0.00 0.00 54.58 53.48 1srf n ASN 81 Cb 0.51 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.71 1srf n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1srf h ASN 82 N 0.00 0.00 0.06 0.53 2.35 -1.91 -3.30 115.58 113.32 1srf h ASN 82 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1srf h ASN 82 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1srf h ASN 82 CO 0.00 0.11 -2.29 -1.22 -1.65 0.00 0.00 177.43 172.37 1srf n TYR 83 N -3.22 0.38 -3.98 1.19 4.01 -1.26 -5.06 117.16 109.22 1srf n TYR 83 Ca 0.01 0.09 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 1srf n TYR 83 Cb 0.40 -1.05 -0.06 0.00 -0.31 0.00 0.00 39.34 38.32 1srf n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1srf s ARG 84 N -2.53 1.44 -0.19 -0.72 1.70 -1.24 -5.06 118.95 112.34 1srf s ARG 84 Ca -0.26 -1.23 -0.04 0.00 -0.47 0.00 0.00 55.73 53.73 1srf s ARG 84 Cb 0.08 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.99 1srf s ARG 84 CO 0.69 -0.58 0.19 1.21 -1.08 0.00 0.00 175.30 175.73 1srf s ASN 85 N -3.01 1.54 0.00 -2.89 3.84 -1.26 -0.89 114.94 112.27 1srf s ASN 85 Ca 0.21 -0.27 0.27 0.00 0.21 0.00 0.00 52.86 53.28 1srf s ASN 85 Cb 0.00 0.25 0.92 0.00 -0.55 0.00 0.00 41.25 41.88 1srf s ASN 85 CO 0.07 -0.33 1.67 0.00 -2.79 0.00 0.00 177.10 175.72 1srf n ALA 86 N 5.31 2.98 -3.78 1.71 0.00 0.80 -4.93 120.51 122.60 1srf n ALA 86 Ca -0.06 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1srf n ALA 86 Cb 0.49 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.88 -1.94 -3.89 0.00 8.25 -1.26 -4.83 115.22 110.66 1srf n HIS 87 Ca 0.12 0.84 -0.08 0.00 -0.26 0.00 0.00 57.72 58.34 1srf n HIS 87 Cb 0.32 -4.21 -0.04 0.00 1.12 0.00 0.00 29.99 27.18 1srf n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1srf s SER 88 N -4.16 -0.19 -0.15 0.41 1.04 -1.26 -0.80 113.70 108.59 1srf s SER 88 Ca 0.13 -0.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 1srf s SER 88 Cb -0.07 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1srf s SER 88 CO 0.83 -1.20 0.46 0.00 0.98 0.00 0.00 173.24 174.30 1srf s ALA 89 N -3.95 -1.14 -0.05 5.32 0.00 -0.83 0.12 121.76 121.22 1srf s ALA 89 Ca 0.15 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.36 1srf s ALA 89 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1srf s ALA 89 CO 0.06 -0.23 -0.17 0.99 0.00 0.00 0.00 175.76 176.40 1srf s THR 90 N -0.02 2.79 -0.07 0.00 2.01 0.38 -1.61 115.64 119.11 1srf s THR 90 Ca -0.02 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1srf s THR 90 Cb -0.03 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1srf s THR 90 CO 0.02 0.58 -0.24 0.42 -0.69 0.00 0.00 174.62 174.71 1srf s THR 91 N -0.59 1.98 -0.12 -0.82 -4.23 -0.40 -0.64 115.64 110.82 1srf s THR 91 Ca 0.09 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1srf s THR 91 Cb -0.11 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1srf s THR 91 CO 0.01 0.55 -0.15 0.26 -0.54 0.00 0.00 174.62 174.74 1srf s TRP 92 N 0.07 2.75 -0.07 3.99 0.51 0.65 -0.88 118.94 125.96 1srf s TRP 92 Ca -0.10 -0.69 0.02 0.00 -2.12 0.00 0.00 56.10 53.22 1srf s TRP 92 Cb -0.15 -1.80 0.01 0.00 -0.81 0.00 0.00 33.47 30.72 1srf s TRP 92 CO 0.06 -0.22 -0.13 0.45 -0.51 0.00 0.00 176.95 176.59 1srf s SER 93 N 0.26 1.84 0.00 2.95 0.15 0.96 -1.07 113.70 118.79 1srf s SER 93 Ca -0.11 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1srf s SER 93 Cb -0.16 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1srf s SER 93 CO 0.06 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1srf n GLY 94 N 3.78 1.83 3.09 9.45 0.00 -0.54 -0.86 105.19 121.95 1srf n GLY 94 Ca -0.23 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 1.74 0.26 -0.08 1.61 -2.07 -0.64 -1.09 119.66 119.40 1srf s GLN 95 Ca 0.00 0.21 -0.18 0.00 -1.82 0.00 0.00 55.36 53.58 1srf s GLN 95 Cb 0.00 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1srf s GLN 95 CO 0.00 -0.04 0.47 -0.47 -1.32 0.00 0.00 175.29 173.93 1srf s TYR 96 N -0.05 3.58 -0.20 9.60 5.04 0.10 -1.62 117.35 133.80 1srf s TYR 96 Ca -0.02 0.94 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1srf s TYR 96 Cb -0.02 -2.49 0.04 0.00 0.35 0.00 0.00 41.96 39.84 1srf s TYR 96 CO 0.00 0.29 -0.10 0.08 -1.34 0.00 0.00 175.55 174.49 1srf s VAL 97 N 0.15 1.64 0.46 3.14 1.01 0.18 -1.23 120.40 125.76 1srf s VAL 97 Ca 0.26 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1srf s VAL 97 Cb -0.16 -1.71 0.10 0.00 0.00 0.00 0.00 36.38 34.61 1srf s VAL 97 CO 0.11 0.17 0.63 0.61 0.00 0.00 0.00 175.10 176.63 1srf n GLY 98 N 4.68 -0.38 0.00 4.51 0.00 -1.26 -0.73 105.19 112.01 1srf n GLY 98 Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1srf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srf n GLY 99 N 0.63 0.37 0.15 -0.02 0.00 -1.26 -4.66 105.19 100.39 1srf n GLY 99 Ca 0.09 -2.26 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 0.23 -2.73 4.61 0.00 -2.07 -3.25 119.26 116.04 1srf h ALA 100 Ca 0.00 0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.39 1srf h ALA 100 Cb 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1srf h ALA 100 CO 0.00 -0.46 -0.41 -0.85 0.00 0.00 0.00 179.25 177.54 1srf n GLU 101 N -5.26 2.33 -1.80 0.00 0.28 -1.26 -5.08 120.64 109.86 1srf n GLU 101 Ca 0.01 -4.55 -0.41 0.00 -0.16 0.00 0.00 57.16 52.05 1srf n GLU 101 Cb 0.18 -2.32 -0.01 0.00 1.43 0.00 0.00 31.44 30.73 1srf n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1srf s ALA 102 N -1.80 3.62 0.04 -1.84 0.00 -1.23 -4.94 121.76 115.61 1srf s ALA 102 Ca 0.30 1.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.79 1srf s ALA 102 Cb 0.01 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1srf s ALA 102 CO -0.10 -1.04 0.08 1.03 0.00 0.00 0.00 175.76 175.73 1srf s ARG 103 N -1.64 0.59 -0.26 0.00 0.52 0.09 -4.31 118.95 113.94 1srf s ARG 103 Ca 0.56 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 1srf s ARG 103 Cb -0.47 0.23 0.07 0.00 0.52 0.00 0.00 34.95 35.30 1srf s ARG 103 CO 0.59 -0.15 -0.00 0.42 0.02 0.00 0.00 175.30 176.18 1srf s ILE 104 N -2.79 1.44 -0.32 1.52 1.01 -0.15 0.52 121.20 122.43 1srf s ILE 104 Ca -0.03 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.08 1srf s ILE 104 Cb -0.00 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1srf s ILE 104 CO -0.05 -0.29 0.45 0.20 0.00 0.00 0.00 174.94 175.24 1srf s ASN 105 N 1.40 6.29 0.18 3.58 0.01 -0.64 0.18 114.94 125.93 1srf s ASN 105 Ca -0.00 0.08 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 1srf s ASN 105 Cb -0.18 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1srf s ASN 105 CO -0.10 -0.35 -0.10 0.42 -1.51 0.00 0.00 177.10 175.46 1srf s THR 106 N 2.22 1.36 0.04 1.60 -4.23 0.83 -1.62 115.64 115.84 1srf s THR 106 Ca 0.17 -2.11 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1srf s THR 106 Cb -0.16 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1srf s THR 106 CO 0.12 -0.63 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.22 1srf s GLN 107 N -3.73 1.68 0.10 3.99 -0.21 -0.04 -0.76 119.66 120.69 1srf s GLN 107 Ca 0.20 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1srf s GLN 107 Cb 0.02 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1srf s GLN 107 CO 0.04 0.47 -0.09 1.67 -2.12 0.00 0.00 175.29 175.26 1srf s TRP 108 N -0.78 0.99 -0.11 0.91 1.48 -0.24 -0.03 118.94 121.17 1srf s TRP 108 Ca 0.10 -0.74 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1srf s TRP 108 Cb -0.10 -0.55 0.02 0.00 -1.16 0.00 0.00 33.47 31.68 1srf s TRP 108 CO 0.02 -0.05 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.23 1srf s LEU 109 N -2.64 1.53 -0.28 -4.66 1.43 -0.06 -1.88 118.68 112.11 1srf s LEU 109 Ca 0.07 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1srf s LEU 109 Cb -0.00 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1srf s LEU 109 CO -0.01 -0.04 -0.02 -0.22 0.23 0.00 0.00 176.35 176.29 1srf s LEU 110 N 1.23 3.60 -0.14 1.79 2.96 -0.00 -1.27 118.68 126.85 1srf s LEU 110 Ca -0.03 -1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 52.81 1srf s LEU 110 Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1srf s LEU 110 CO -0.04 -0.20 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.82 1srf s THR 111 N 1.31 3.53 0.01 3.68 2.01 -0.63 0.04 115.64 125.58 1srf s THR 111 Ca -0.02 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1srf s THR 111 Cb -0.18 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1srf s THR 111 CO -0.02 0.51 0.22 -0.44 -0.69 0.00 0.00 174.62 174.20 1srf s SER 112 N 0.31 6.41 -0.03 3.53 0.01 0.82 -1.97 113.70 122.78 1srf s SER 112 Ca -0.06 0.42 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 1srf s SER 112 Cb -0.15 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1srf s SER 112 CO 0.04 0.25 1.30 -0.83 0.41 0.00 0.00 173.24 174.41 1srf s GLY 113 N -1.91 1.98 0.26 3.44 0.00 0.02 -4.86 107.32 106.25 1srf s GLY 113 Ca 0.28 0.76 0.01 0.00 0.00 0.00 0.00 44.72 45.77 1srf s GLY 113 CO 0.19 2.36 0.11 -0.51 0.00 0.00 0.00 173.10 175.25 1srf s THR 114 N 2.29 0.49 1.08 0.90 -4.23 -1.26 -4.99 115.64 109.92 1srf s THR 114 Ca 0.60 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 1srf s THR 114 Cb -0.28 -2.61 0.24 0.00 1.34 0.00 0.00 72.50 71.19 1srf s THR 114 CO 0.24 0.00 1.21 0.42 -0.54 0.00 0.00 174.62 175.95 1srf s THR 115 N -3.76 1.79 -0.26 3.99 -4.23 -1.26 -4.86 115.64 107.05 1srf s THR 115 Ca 0.38 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.13 1srf s THR 115 Cb 0.07 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.48 1srf s THR 115 CO 0.14 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.56 1srf h GLU 116 N -2.12 0.00 0.00 3.99 5.08 -2.01 -2.55 114.58 116.96 1srf h GLU 116 Ca -0.45 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 1srf h GLU 116 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1srf h GLU 116 CO 0.36 0.08 -0.56 0.00 -1.00 0.00 0.00 179.01 177.90 1srf h ALA 117 N 1.92 0.90 -0.11 3.43 0.00 -2.06 -3.21 119.26 120.13 1srf h ALA 117 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1srf h ALA 117 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1srf h ALA 117 CO 0.01 0.70 0.00 0.09 0.00 0.00 0.00 179.25 180.05 1srf n ASN 118 N -3.62 2.12 0.07 0.00 3.02 -1.14 -4.62 115.26 111.08 1srf n ASN 118 Ca -0.00 -1.60 0.08 0.00 -0.03 0.00 0.00 54.58 53.03 1srf n ASN 118 Cb 0.62 -0.07 0.54 0.00 -0.61 0.00 0.00 39.78 40.26 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 1.77 1.94 0.00 5.41 0.00 -1.46 -1.84 119.26 125.09 1srf h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1srf h ALA 119 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1srf h ALA 119 CO 0.00 0.01 -0.08 0.11 0.00 0.00 0.00 179.25 179.29 1srf h TRP 120 N 0.29 0.00 -1.16 0.00 5.08 -1.82 -2.60 115.95 115.74 1srf h TRP 120 Ca 0.14 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.55 1srf h TRP 120 Cb 0.18 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 25.92 1srf h TRP 120 CO -0.00 0.08 -0.80 0.36 -1.28 0.00 0.00 178.44 176.80 1srf n LYS 121 N -3.91 3.36 0.03 0.12 -0.00 -0.70 -4.75 118.16 112.31 1srf n LYS 121 Ca -0.02 -4.29 0.11 0.00 -0.00 0.00 0.00 58.31 54.11 1srf n LYS 121 Cb 0.17 -2.20 0.04 0.00 -0.00 0.00 0.00 35.03 33.04 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 -0.56 0.62 -4.11 -5.58 3.41 -0.98 -4.91 113.62 101.50 1srf n SER 122 Ca 0.39 -0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.53 1srf n SER 122 Cb 0.79 0.73 -0.17 0.00 -0.26 0.00 0.00 64.21 65.31 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 -3.20 1.78 0.14 6.66 2.01 -1.26 -0.13 115.64 121.64 1srf s THR 123 Ca 0.04 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1srf s THR 123 Cb 0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 1srf s THR 123 CO 0.79 0.50 0.36 -0.76 -0.69 0.00 0.00 174.62 174.82 1srf s LEU 124 N 0.88 4.27 0.01 4.42 1.43 0.11 -4.91 118.68 124.89 1srf s LEU 124 Ca -0.07 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1srf s LEU 124 Cb -0.15 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 1srf s LEU 124 CO -0.01 0.05 -0.14 0.54 0.23 0.00 0.00 176.35 177.02 1srf s VAL 125 N -1.67 1.13 0.04 -1.59 0.11 -1.26 -0.82 120.40 116.34 1srf s VAL 125 Ca 0.40 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1srf s VAL 125 Cb -0.12 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1srf s VAL 125 CO 0.26 0.20 0.09 0.61 -3.33 0.00 0.00 175.10 172.93 1srf n GLY 126 N 2.39 1.83 2.97 6.54 0.00 -0.79 -5.00 105.19 113.13 1srf n GLY 126 Ca -0.16 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -8.03 0.36 -0.01 1.61 -3.43 -1.26 -1.08 115.29 103.46 1srf s HIS 127 Ca 0.02 -0.31 0.02 0.00 -0.80 0.00 0.00 55.06 53.99 1srf s HIS 127 Cb -0.01 -0.23 -0.00 0.00 -1.43 0.00 0.00 32.58 30.91 1srf s HIS 127 CO 0.01 -0.08 -0.07 -0.51 -2.00 0.00 0.00 174.74 172.10 1srf s ASP 128 N -0.87 0.78 -0.20 7.38 1.01 0.06 -4.96 116.67 119.86 1srf s ASP 128 Ca -0.07 -0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.06 1srf s ASP 128 Cb -0.06 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1srf s ASP 128 CO -0.00 0.08 -0.11 -0.89 0.21 0.00 0.00 175.17 174.45 1srf s THR 129 N -0.14 2.78 -0.16 -1.27 2.01 -1.26 -0.12 115.64 117.47 1srf s THR 129 Ca 0.02 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 1srf s THR 129 Cb -0.03 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1srf s THR 129 CO -0.00 0.48 0.10 -0.36 -0.69 0.00 0.00 174.62 174.14 1srf s PHE 130 N 1.37 3.38 0.25 4.92 0.40 0.13 -3.36 117.98 125.07 1srf s PHE 130 Ca 0.05 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 1srf s PHE 130 Cb -0.14 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 1srf s PHE 130 CO -0.07 0.39 0.07 0.95 0.70 0.00 0.00 175.22 177.25 1srf s THR 131 N -0.15 0.73 -2.10 0.64 -4.23 -0.29 -0.98 115.64 109.26 1srf s THR 131 Ca 0.09 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 1srf s THR 131 Cb -0.12 -2.56 0.40 0.00 1.34 0.00 0.00 72.50 71.57 1srf s THR 131 CO 0.01 -0.10 1.38 0.29 -0.54 0.00 0.00 174.62 175.65 1srf n LYS 132 N -0.47 1.98 0.00 3.99 5.02 -1.26 0.10 118.16 127.52 1srf n LYS 132 Ca -0.02 -1.51 0.11 0.00 -2.02 0.00 0.00 58.31 54.87 1srf n LYS 132 Cb 0.66 -1.36 0.09 0.00 -0.02 0.00 0.00 35.03 34.40 1srf n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16