#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy4 s PRO 15 N 0.00 3.68 0.49 1.43 0.02 -1.26 -4.90 135.00 134.46 1uy4 s PRO 15 Ca 0.00 2.43 0.28 0.00 0.02 0.00 0.00 61.00 63.73 1uy4 s PRO 15 Cb 0.00 -2.66 0.98 0.00 0.02 0.00 0.00 34.50 32.84 1uy4 s PRO 15 CO 0.00 -0.82 1.84 0.97 -0.33 0.00 0.00 177.00 178.66 1uy4 h ILE 16 N 2.31 0.20 -3.39 2.83 6.09 -1.98 -3.44 117.51 120.14 1uy4 h ILE 16 Ca -0.51 -0.87 -0.04 0.00 -1.37 0.00 0.00 64.86 62.07 1uy4 h ILE 16 Cb 1.27 1.72 -0.12 0.00 0.47 0.00 0.00 36.82 40.16 1uy4 h ILE 16 CO 0.61 0.09 -0.04 0.00 -3.07 0.00 0.00 178.15 175.74 1uy4 s ARG 17 N -3.54 1.22 0.17 2.19 1.70 -1.26 -4.21 118.95 115.21 1uy4 s ARG 17 Ca 0.02 -0.81 -0.23 0.00 -0.47 0.00 0.00 55.73 54.25 1uy4 s ARG 17 Cb 0.08 0.49 0.07 0.00 -0.57 0.00 0.00 34.95 35.02 1uy4 s ARG 17 CO 0.60 -0.50 0.60 1.03 -1.08 0.00 0.00 175.30 175.96 1uy4 s ARG 18 N -3.85 1.31 -0.07 3.89 0.52 -0.84 -5.01 118.95 114.90 1uy4 s ARG 18 Ca 0.07 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1uy4 s ARG 18 Cb 0.01 0.59 -0.05 0.00 0.52 0.00 0.00 34.95 36.01 1uy4 s ARG 18 CO -0.07 -0.57 0.38 0.34 0.02 0.00 0.00 175.30 175.39 1uy4 s ASP 19 N -2.76 6.67 0.52 0.23 2.15 -1.26 -0.60 116.67 121.61 1uy4 s ASP 19 Ca 0.02 0.80 0.30 0.00 0.43 0.00 0.00 52.55 54.09 1uy4 s ASP 19 Cb -0.01 -2.23 1.31 0.00 -0.30 0.00 0.00 42.92 41.69 1uy4 s ASP 19 CO -0.12 0.22 1.98 0.00 -0.17 0.00 0.00 175.17 177.08 1uy4 h ALA 20 N 5.56 1.06 -0.73 3.66 0.00 -1.60 -3.21 119.26 123.99 1uy4 h ALA 20 Ca -0.47 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 1uy4 h ALA 20 Cb 1.20 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 1uy4 h ALA 20 CO 0.67 0.13 0.11 1.19 0.00 0.00 0.00 179.25 181.35 1uy4 n PHE 21 N -3.31 2.43 -3.90 0.00 3.72 -1.26 -1.41 117.46 113.73 1uy4 n PHE 21 Ca -0.00 -2.24 -0.10 0.00 -0.05 0.00 0.00 57.45 55.06 1uy4 n PHE 21 Cb 0.32 -0.81 -0.09 0.00 -0.94 0.00 0.00 39.48 37.96 1uy4 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uy4 s SER 22 N -2.45 0.11 0.17 4.37 0.15 -1.22 -5.02 113.70 109.81 1uy4 s SER 22 Ca 0.54 -0.40 -0.34 0.00 0.70 0.00 0.00 55.95 56.45 1uy4 s SER 22 Cb 0.45 0.23 -0.14 0.00 -1.71 0.00 0.00 66.02 64.84 1uy4 s SER 22 CO 0.02 -0.47 1.45 -0.38 1.20 0.00 0.00 173.24 175.06 1uy4 n ILE 23 N 0.99 0.35 -4.23 6.45 2.08 -1.26 -4.78 119.36 118.96 1uy4 n ILE 23 Ca -0.20 -0.09 -0.34 0.00 0.56 0.00 0.00 62.75 62.68 1uy4 n ILE 23 Cb 0.57 -1.32 -0.13 0.00 -0.75 0.00 0.00 39.64 38.02 1uy4 n ILE 23 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1uy4 s ILE 24 N 0.45 3.60 -0.17 1.39 1.01 -0.06 -4.99 121.20 122.43 1uy4 s ILE 24 Ca 0.76 -0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1uy4 s ILE 24 Cb -0.74 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1uy4 s ILE 24 CO 0.44 0.46 0.88 -1.61 0.00 0.00 0.00 174.94 175.11 1uy4 s GLU 25 N 0.88 4.31 0.44 2.79 0.41 -1.26 -1.37 118.70 124.90 1uy4 s GLU 25 Ca -0.01 1.11 0.09 0.00 -0.41 0.00 0.00 54.97 55.76 1uy4 s GLU 25 Cb -0.15 -3.58 0.96 0.00 -1.78 0.00 0.00 34.13 29.59 1uy4 s GLU 25 CO 0.01 -0.37 2.08 0.00 -0.49 0.00 0.00 175.26 176.49 1uy4 h ALA 26 N 7.32 1.77 0.00 5.21 0.00 -1.55 -1.61 119.26 130.40 1uy4 h ALA 26 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1uy4 h ALA 26 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1uy4 h ALA 26 CO 0.86 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.46 1uy4 n GLU 27 N -4.48 0.20 -1.86 0.00 0.00 -1.26 -3.49 120.64 109.75 1uy4 n GLU 27 Ca 0.01 0.37 -0.36 0.00 0.00 0.00 0.00 57.16 57.19 1uy4 n GLU 27 Cb 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 29.68 1uy4 n GLU 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uy4 n GLU 28 N -2.20 3.05 -2.36 3.44 1.02 -0.61 -4.99 120.64 118.00 1uy4 n GLU 28 Ca 0.03 -3.24 -0.28 0.00 -0.02 0.00 0.00 57.16 53.65 1uy4 n GLU 28 Cb 0.26 -2.27 0.02 0.00 -0.02 0.00 0.00 31.44 29.43 1uy4 n GLU 28 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1uy4 s TYR 29 N -3.10 3.41 -0.20 -0.32 -0.85 -1.23 -4.60 117.35 110.47 1uy4 s TYR 29 Ca 0.53 0.82 0.16 0.00 -0.52 0.00 0.00 57.07 58.06 1uy4 s TYR 29 Cb 0.38 -2.62 -0.23 0.00 0.38 0.00 0.00 41.96 39.86 1uy4 s TYR 29 CO -0.30 -0.66 0.04 0.09 -1.52 0.00 0.00 175.55 173.20 1uy4 n ASN 30 N -2.54 0.40 -3.45 -0.18 4.13 0.53 -4.66 115.26 109.49 1uy4 n ASN 30 Ca 0.04 -0.01 -0.13 0.00 1.68 0.00 0.00 54.58 56.15 1uy4 n ASN 30 Cb 0.56 0.84 -0.03 0.00 -1.54 0.00 0.00 39.78 39.61 1uy4 n ASN 30 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1uy4 s SER 31 N -5.49 -0.57 0.02 6.41 1.04 -1.10 -5.01 113.70 108.99 1uy4 s SER 31 Ca -0.12 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 1uy4 s SER 31 Cb 0.06 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1uy4 s SER 31 CO 0.77 -0.86 0.34 0.28 0.98 0.00 0.00 173.24 174.76 1uy4 s THR 32 N -3.11 0.07 -1.34 2.02 -1.32 -1.26 -0.87 115.64 109.82 1uy4 s THR 32 Ca -0.01 -0.54 0.28 0.00 -1.21 0.00 0.00 61.69 60.21 1uy4 s THR 32 Cb -0.01 -0.83 0.32 0.00 -1.51 0.00 0.00 72.50 70.47 1uy4 s THR 32 CO -0.08 -0.30 1.81 -0.46 -2.21 0.00 0.00 174.62 173.39 1uy4 n ASN 33 N 0.81 0.32 -4.77 8.08 6.94 -1.08 -4.96 115.26 120.60 1uy4 n ASN 33 Ca -0.20 -0.21 -0.39 0.00 -0.02 0.00 0.00 54.58 53.77 1uy4 n ASN 33 Cb 0.58 -0.14 -0.04 0.00 -2.36 0.00 0.00 39.78 37.82 1uy4 n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uy4 s SER 34 N -2.72 7.06 0.00 0.53 0.15 -1.26 -4.94 113.70 112.52 1uy4 s SER 34 Ca 0.22 2.21 0.19 0.00 0.70 0.00 0.00 55.95 59.27 1uy4 s SER 34 Cb 0.19 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 62.03 1uy4 s SER 34 CO 0.53 -0.28 1.09 -1.20 1.20 0.00 0.00 173.24 174.58 1uy4 n SER 35 N 0.74 2.53 0.00 5.45 7.64 -1.26 -4.64 113.62 124.08 1uy4 n SER 35 Ca 0.01 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1uy4 n SER 35 Cb 0.46 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1uy4 n SER 35 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1uy4 n THR 36 N 0.98 0.00 -1.61 0.44 -2.24 -1.26 -5.06 114.28 105.53 1uy4 n THR 36 Ca 0.11 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.41 1uy4 n THR 36 Cb 0.47 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 1uy4 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1uy4 n LEU 37 N -1.78 2.08 -4.29 3.22 0.00 -1.12 -4.72 117.00 110.39 1uy4 n LEU 37 Ca 0.00 1.14 -0.22 0.00 0.00 0.00 0.00 56.01 56.93 1uy4 n LEU 37 Cb 0.36 -1.29 -0.12 0.00 0.00 0.00 0.00 43.42 42.38 1uy4 n LEU 37 CO 0.00 -0.99 -0.49 -1.10 0.00 0.00 0.00 177.39 174.82 1uy4 s GLN 38 N -0.23 1.16 -0.09 1.96 -0.21 -0.54 -4.99 119.66 116.71 1uy4 s GLN 38 Ca 0.73 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 1uy4 s GLN 38 Cb -0.79 -1.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1uy4 s GLN 38 CO 0.50 0.27 1.13 0.08 -2.12 0.00 0.00 175.29 175.15 1uy4 s VAL 39 N -1.71 4.47 0.30 1.09 1.01 -1.26 -1.27 120.40 123.03 1uy4 s VAL 39 Ca 0.10 1.77 0.10 0.00 0.00 0.00 0.00 61.98 63.95 1uy4 s VAL 39 Cb -0.07 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1uy4 s VAL 39 CO 0.05 -0.01 -0.04 0.27 0.00 0.00 0.00 175.10 175.36 1uy4 s ILE 40 N 2.25 2.85 0.42 2.22 -4.36 -0.29 -4.94 121.20 119.35 1uy4 s ILE 40 Ca 0.53 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 1uy4 s ILE 40 Cb -0.22 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 1uy4 s ILE 40 CO 0.19 -0.30 0.68 -0.83 0.24 0.00 0.00 174.94 174.92 1uy4 s GLY 41 N -3.66 1.43 0.33 6.27 0.00 -1.26 -1.20 107.32 109.24 1uy4 s GLY 41 Ca 0.33 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.43 1uy4 s GLY 41 CO 0.19 -0.59 -0.09 -0.51 0.00 0.00 0.00 173.10 172.09 1uy4 s THR 42 N -2.56 2.36 0.52 0.90 -4.23 -0.73 -4.79 115.64 107.11 1uy4 s THR 42 Ca 0.44 -2.19 0.25 0.00 -1.18 0.00 0.00 61.69 59.01 1uy4 s THR 42 Cb -0.10 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.52 1uy4 s THR 42 CO 0.41 -0.23 1.97 -0.65 -0.54 0.00 0.00 174.62 175.57 1uy4 h PRO 43 N 2.02 0.06 -0.82 3.99 0.11 -1.90 -1.59 132.00 133.87 1uy4 h PRO 43 Ca -0.42 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.34 1uy4 h PRO 43 Cb 1.25 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.14 1uy4 h PRO 43 CO 0.68 0.04 0.42 0.09 -0.21 0.00 0.00 178.00 179.02 1uy4 n ASN 44 N -4.38 4.17 -2.12 -2.05 3.02 -1.26 -4.89 115.26 107.76 1uy4 n ASN 44 Ca 0.12 -3.44 -0.17 0.00 -0.03 0.00 0.00 54.58 51.06 1uy4 n ASN 44 Cb 0.65 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1uy4 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uy4 n ASN 45 N -0.68 -5.07 -2.66 6.41 3.02 -0.60 -5.02 115.26 110.66 1uy4 n ASN 45 Ca 0.49 -0.09 -0.07 0.00 -0.03 0.00 0.00 54.58 54.87 1uy4 n ASN 45 Cb 1.49 -4.08 0.04 0.00 -0.61 0.00 0.00 39.78 36.62 1uy4 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy4 n GLY 46 N -1.15 0.10 3.35 7.41 0.00 -1.26 -4.89 105.19 108.77 1uy4 n GLY 46 Ca -0.16 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 1uy4 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uy4 s ARG 47 N -3.36 1.42 0.09 1.61 0.52 -1.26 -1.77 118.95 116.19 1uy4 s ARG 47 Ca 0.19 -1.74 -0.04 0.00 -0.52 0.00 0.00 55.73 53.63 1uy4 s ARG 47 Cb -0.01 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 34.84 1uy4 s ARG 47 CO 0.13 -0.14 0.20 0.41 0.02 0.00 0.00 175.30 175.92 1uy4 n GLY 48 N -0.48 1.69 3.45 -3.53 0.00 -0.34 -4.64 105.19 101.33 1uy4 n GLY 48 Ca -0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1uy4 n GLY 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uy4 s ILE 49 N -2.75 2.73 0.00 -0.61 -4.36 0.18 -1.14 121.20 115.25 1uy4 s ILE 49 Ca 0.04 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 1uy4 s ILE 49 Cb -0.01 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1uy4 s ILE 49 CO 0.03 0.30 0.00 0.61 0.24 0.00 0.00 174.94 176.11 1uy4 n GLY 50 N 1.44 3.24 3.78 6.27 0.00 -0.40 -1.26 105.19 118.26 1uy4 n GLY 50 Ca -0.16 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1uy4 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy4 n TYR 51 N 0.00 -2.23 -3.17 1.61 4.02 -1.26 -1.47 117.16 114.66 1uy4 n TYR 51 Ca 0.00 0.83 -0.37 0.00 -0.01 0.00 0.00 57.90 58.34 1uy4 n TYR 51 Cb 0.00 -3.89 -0.06 0.00 -0.02 0.00 0.00 39.34 35.37 1uy4 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy4 s ILE 52 N -3.24 4.62 0.27 -0.72 1.01 -1.26 -2.80 121.20 119.08 1uy4 s ILE 52 Ca 0.61 1.28 0.10 0.00 0.00 0.00 0.00 60.65 62.63 1uy4 s ILE 52 Cb -0.31 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1uy4 s ILE 52 CO 0.75 0.37 -0.15 -1.61 0.00 0.00 0.00 174.94 174.31 1uy4 s GLU 53 N -1.58 1.59 0.13 2.79 2.02 -1.26 -3.53 118.70 118.87 1uy4 s GLU 53 Ca 0.37 -1.75 -0.35 0.00 0.02 0.00 0.00 54.97 53.26 1uy4 s GLU 53 Cb -0.18 -1.50 -0.16 0.00 0.10 0.00 0.00 34.13 32.39 1uy4 s GLU 53 CO 0.21 0.22 1.25 -1.71 0.02 0.00 0.00 175.26 175.25 1uy4 n ASN 54 N -0.58 1.51 0.00 -0.19 5.15 -1.26 -1.33 115.26 118.56 1uy4 n ASN 54 Ca -0.06 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 1uy4 n ASN 54 Cb 0.61 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1uy4 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uy4 n GLY 55 N 2.26 1.86 3.77 8.20 0.00 0.27 -4.92 105.19 116.63 1uy4 n GLY 55 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1uy4 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uy4 s ASN 56 N -2.76 6.72 0.06 1.61 0.02 -0.44 -4.81 114.94 115.34 1uy4 s ASN 56 Ca 0.00 2.70 0.09 0.00 -1.02 0.00 0.00 52.86 54.63 1uy4 s ASN 56 Cb 0.00 -2.65 -0.03 0.00 0.02 0.00 0.00 41.25 38.59 1uy4 s ASN 56 CO 0.00 -0.57 -0.25 0.42 0.02 0.00 0.00 177.10 176.72 1uy4 s THR 57 N -1.15 2.03 -0.05 1.60 -4.23 -1.26 -1.21 115.64 111.36 1uy4 s THR 57 Ca 0.50 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1uy4 s THR 57 Cb -0.40 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1uy4 s THR 57 CO 0.53 0.25 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.13 1uy4 s VAL 58 N -0.87 0.56 -0.09 2.29 1.01 -0.30 -2.64 120.40 120.35 1uy4 s VAL 58 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1uy4 s VAL 58 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1uy4 s VAL 58 CO 0.03 0.25 -0.06 -0.89 0.00 0.00 0.00 175.10 174.42 1uy4 s THR 59 N 1.15 3.76 -0.13 3.92 2.01 -0.05 -0.49 115.64 125.81 1uy4 s THR 59 Ca -0.07 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1uy4 s THR 59 Cb -0.14 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.82 1uy4 s THR 59 CO -0.01 0.57 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.01 1uy4 s TYR 60 N -0.48 2.23 0.13 4.92 1.51 0.27 -0.35 117.35 125.58 1uy4 s TYR 60 Ca 0.07 -1.17 -0.24 0.00 -1.01 0.00 0.00 57.07 54.73 1uy4 s TYR 60 Cb -0.12 -1.60 -0.07 0.00 -0.11 0.00 0.00 41.96 40.06 1uy4 s TYR 60 CO 0.02 -0.60 0.73 -1.12 -1.11 0.00 0.00 175.55 173.47 1uy4 s SER 61 N 1.17 7.30 -1.14 2.29 0.01 -1.26 -0.68 113.70 121.38 1uy4 s SER 61 Ca -0.01 1.54 -0.13 0.00 1.31 0.00 0.00 55.95 58.65 1uy4 s SER 61 Cb -0.14 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1uy4 s SER 61 CO -0.06 0.20 0.81 0.59 0.41 0.00 0.00 173.24 175.19 1uy4 n ASN 62 N 1.78 -4.96 -4.71 2.44 3.02 -1.25 -4.15 115.26 107.43 1uy4 n ASN 62 Ca -0.06 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 1uy4 n ASN 62 Cb 0.49 -4.04 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 1uy4 n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1uy4 s ILE 63 N -3.48 4.96 -0.40 2.41 -1.09 -0.04 -1.99 121.20 121.57 1uy4 s ILE 63 Ca 0.39 1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 60.33 1uy4 s ILE 63 Cb -0.11 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1uy4 s ILE 63 CO 0.82 0.18 0.35 -0.62 -1.23 0.00 0.00 174.94 174.44 1uy4 s ASP 64 N 0.93 6.14 0.00 3.58 -1.08 0.23 -1.02 116.67 125.46 1uy4 s ASP 64 Ca 0.42 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 52.03 1uy4 s ASP 64 Cb -0.19 -2.19 0.93 0.00 -1.46 0.00 0.00 42.92 40.02 1uy4 s ASP 64 CO 0.20 -0.46 1.68 0.49 0.52 0.00 0.00 175.17 177.60 1uy4 n PHE 65 N 5.34 0.00 0.00 -5.34 3.01 0.16 -1.47 117.46 119.16 1uy4 n PHE 65 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1uy4 n PHE 65 Cb 0.48 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1uy4 n PHE 65 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uy4 n GLY 66 N 1.23 3.16 0.34 1.37 0.00 -1.26 -1.22 105.19 108.81 1uy4 n GLY 66 Ca 0.17 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1uy4 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uy4 n SER 67 N 3.74 1.10 0.00 1.61 3.41 -1.26 -1.38 113.62 120.83 1uy4 n SER 67 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1uy4 n SER 67 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1uy4 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy4 n GLY 68 N 1.18 4.61 3.18 5.00 0.00 -0.36 -4.86 105.19 113.93 1uy4 n GLY 68 Ca 0.18 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1uy4 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy4 s ALA 69 N -1.19 1.50 0.00 4.61 0.00 -0.48 -1.98 121.76 124.22 1uy4 s ALA 69 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1uy4 s ALA 69 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1uy4 s ALA 69 CO 0.00 0.36 0.77 0.25 0.00 0.00 0.00 175.76 177.14 1uy4 n THR 70 N 2.53 0.56 -3.89 0.00 -2.24 0.03 -2.10 114.28 109.17 1uy4 n THR 70 Ca -0.15 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1uy4 n THR 70 Cb 0.54 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 1uy4 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uy4 s GLY 71 N -0.56 0.12 -0.03 3.38 0.00 -1.04 -1.40 107.32 107.78 1uy4 s GLY 71 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1uy4 s GLY 71 CO 0.00 -0.62 -0.09 -0.12 0.00 0.00 0.00 173.10 172.27 1uy4 s PHE 72 N -2.75 0.99 -0.03 1.90 5.36 -0.45 -0.88 117.98 122.11 1uy4 s PHE 72 Ca -0.04 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 1uy4 s PHE 72 Cb -0.00 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 1uy4 s PHE 72 CO -0.05 -0.12 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.36 1uy4 s SER 73 N 0.27 1.52 0.05 6.13 0.01 -0.06 -0.59 113.70 121.02 1uy4 s SER 73 Ca -0.04 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1uy4 s SER 73 Cb -0.09 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 1uy4 s SER 73 CO 0.01 0.09 -0.08 0.00 0.41 0.00 0.00 173.24 173.66 1uy4 s ALA 74 N 0.20 0.67 -0.33 1.44 0.00 -0.27 -0.99 121.76 122.47 1uy4 s ALA 74 Ca -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1uy4 s ALA 74 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1uy4 s ALA 74 CO 0.01 -0.01 0.16 0.99 0.00 0.00 0.00 175.76 176.91 1uy4 s THR 75 N -1.52 4.47 0.06 0.00 2.01 -0.44 -0.93 115.64 119.29 1uy4 s THR 75 Ca -0.08 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1uy4 s THR 75 Cb -0.09 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1uy4 s THR 75 CO 0.00 -0.06 -0.05 0.68 -0.69 0.00 0.00 174.62 174.50 1uy4 s VAL 76 N 1.57 0.43 -0.01 3.82 -7.23 -0.57 -0.84 120.40 117.56 1uy4 s VAL 76 Ca 0.03 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1uy4 s VAL 76 Cb -0.18 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1uy4 s VAL 76 CO 0.06 -0.72 -0.03 0.00 -0.31 0.00 0.00 175.10 174.10 1uy4 s ALA 77 N -2.77 0.32 0.05 1.32 0.00 -0.16 -0.51 121.76 120.00 1uy4 s ALA 77 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 1uy4 s ALA 77 Cb -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.06 1uy4 s ALA 77 CO -0.04 0.04 0.73 -0.08 0.00 0.00 0.00 175.76 176.41 1uy4 s THR 78 N 0.17 0.00 -2.01 0.00 -1.32 -1.23 -0.50 115.64 110.75 1uy4 s THR 78 Ca -0.01 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.64 1uy4 s THR 78 Cb -0.04 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.22 1uy4 s THR 78 CO -0.00 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 172.98 1uy4 n GLU 79 N -0.07 1.97 -4.54 7.08 1.02 -1.26 -0.87 120.64 123.96 1uy4 n GLU 79 Ca -0.14 -1.87 -0.22 0.00 -0.02 0.00 0.00 57.16 54.91 1uy4 n GLU 79 Cb 0.62 -1.38 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 1uy4 n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uy4 s VAL 80 N -1.34 1.13 0.11 2.62 1.01 -1.26 -4.76 120.40 117.91 1uy4 s VAL 80 Ca 0.27 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1uy4 s VAL 80 Cb 0.17 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 1uy4 s VAL 80 CO 0.24 0.20 1.48 0.20 0.00 0.00 0.00 175.10 177.22 1uy4 s ASN 81 N -0.64 6.72 0.23 3.32 0.01 -1.26 -4.27 114.94 119.05 1uy4 s ASN 81 Ca 0.04 2.42 -0.07 0.00 -0.71 0.00 0.00 52.86 54.54 1uy4 s ASN 81 Cb -0.06 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1uy4 s ASN 81 CO 0.00 -0.75 0.34 0.28 -1.51 0.00 0.00 177.10 175.46 1uy4 s THR 82 N 1.46 0.00 0.03 1.60 -1.32 0.66 -4.99 115.64 113.08 1uy4 s THR 82 Ca 0.68 -1.66 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1uy4 s THR 82 Cb -0.39 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.23 1uy4 s THR 82 CO 0.30 0.00 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.73 1uy4 s SER 83 N -3.09 0.52 -0.14 8.08 1.04 -1.26 -0.26 113.70 118.59 1uy4 s SER 83 Ca 0.30 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 1uy4 s SER 83 Cb 0.02 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1uy4 s SER 83 CO 0.11 -0.30 -0.07 -0.63 0.98 0.00 0.00 173.24 173.34 1uy4 s ILE 84 N -1.71 1.10 0.29 -1.02 1.01 0.45 -1.99 121.20 119.33 1uy4 s ILE 84 Ca -0.11 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 1uy4 s ILE 84 Cb -0.08 -1.19 -0.09 0.00 0.01 0.00 0.00 42.46 41.11 1uy4 s ILE 84 CO -0.01 0.25 0.99 -1.10 0.00 0.00 0.00 174.94 175.07 1uy4 s GLN 85 N 1.66 4.65 -0.27 2.79 -0.21 0.05 -0.22 119.66 128.12 1uy4 s GLN 85 Ca 0.03 1.52 -0.04 0.00 0.02 0.00 0.00 55.36 56.88 1uy4 s GLN 85 Cb -0.14 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 30.84 1uy4 s GLN 85 CO -0.08 0.31 0.01 0.42 -2.12 0.00 0.00 175.29 173.83 1uy4 s ILE 86 N -1.35 3.46 0.12 1.08 1.09 -0.03 -0.91 121.20 124.65 1uy4 s ILE 86 Ca 0.46 -0.80 0.09 0.00 -1.10 0.00 0.00 60.65 59.30 1uy4 s ILE 86 Cb -0.25 -2.75 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1uy4 s ILE 86 CO 0.31 0.17 -0.21 -0.13 -0.10 0.00 0.00 174.94 174.98 1uy4 s ARG 87 N 1.43 1.68 0.03 2.79 1.81 -0.08 -0.01 118.95 126.59 1uy4 s ARG 87 Ca 0.02 -1.22 -0.08 0.00 -1.72 0.00 0.00 55.73 52.73 1uy4 s ARG 87 Cb -0.17 -2.05 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 1uy4 s ARG 87 CO -0.01 0.47 0.32 0.45 -0.68 0.00 0.00 175.30 175.85 1uy4 s SER 88 N -2.06 6.56 0.00 0.23 0.15 -0.19 -0.63 113.70 117.76 1uy4 s SER 88 Ca 0.16 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1uy4 s SER 88 Cb -0.10 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1uy4 s SER 88 CO 0.08 0.23 0.00 0.47 1.20 0.00 0.00 173.24 175.23 1uy4 n ASP 89 N 1.11 0.00 -3.60 5.45 8.00 0.11 -3.19 116.55 124.43 1uy4 n ASP 89 Ca -0.11 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 1uy4 n ASP 89 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1uy4 n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1uy4 s SER 90 N 0.00 -0.15 0.60 -2.24 1.04 -1.26 -4.74 113.70 106.94 1uy4 s SER 90 Ca 0.00 -0.63 0.31 0.00 0.48 0.00 0.00 55.95 56.11 1uy4 s SER 90 Cb 0.00 0.63 1.83 0.00 0.10 0.00 0.00 66.02 68.58 1uy4 s SER 90 CO 0.00 -1.20 2.21 -0.65 0.98 0.00 0.00 173.24 174.58 1uy4 h PRO 91 N 2.00 0.00 -0.47 4.02 0.11 -1.94 -1.15 132.00 134.58 1uy4 h PRO 91 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1uy4 h PRO 91 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1uy4 h PRO 91 CO 0.28 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.32 1uy4 n THR 92 N -3.73 1.16 -1.18 -1.15 -2.24 -1.26 -4.99 114.28 100.90 1uy4 n THR 92 Ca -0.01 -1.08 -0.08 0.00 -2.27 0.00 0.00 64.05 60.61 1uy4 n THR 92 Cb 0.17 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1uy4 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy4 n GLY 93 N 0.78 -1.37 3.71 3.38 0.00 -0.43 -4.94 105.19 106.33 1uy4 n GLY 93 Ca 0.17 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1uy4 n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uy4 n THR 94 N -2.54 0.04 -2.34 2.61 -1.04 -1.19 -4.63 114.28 105.18 1uy4 n THR 94 Ca 0.04 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 1uy4 n THR 94 Cb 0.15 -1.93 -0.02 0.00 -1.82 0.00 0.00 70.33 66.71 1uy4 n THR 94 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1uy4 s LEU 95 N 1.28 3.50 0.12 -4.42 2.96 -1.26 -1.02 118.68 119.84 1uy4 s LEU 95 Ca 0.76 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 55.23 1uy4 s LEU 95 Cb -0.53 -3.31 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 1uy4 s LEU 95 CO 0.34 -1.59 1.30 -0.07 -1.32 0.00 0.00 176.35 175.01 1uy4 h LEU 96 N 12.77 0.58 0.00 -0.68 3.38 -0.79 -3.46 115.31 127.12 1uy4 h LEU 96 Ca -0.27 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1uy4 h LEU 96 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1uy4 h LEU 96 CO 1.12 1.26 0.00 0.61 0.09 0.00 0.00 178.44 181.52 1uy4 n GLY 97 N 0.93 -0.29 2.94 0.83 0.00 -1.16 -1.06 105.19 107.39 1uy4 n GLY 97 Ca -0.07 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1uy4 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uy4 s THR 98 N -2.00 0.79 -0.30 2.61 2.01 -1.26 -0.85 115.64 116.63 1uy4 s THR 98 Ca 0.00 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1uy4 s THR 98 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1uy4 s THR 98 CO 0.00 0.28 0.36 -0.22 -0.69 0.00 0.00 174.62 174.36 1uy4 s LEU 99 N 0.91 4.21 -0.19 4.42 2.96 0.70 -4.90 118.68 126.78 1uy4 s LEU 99 Ca -0.11 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.69 1uy4 s LEU 99 Cb -0.15 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1uy4 s LEU 99 CO 0.01 -0.25 0.38 -0.31 -1.32 0.00 0.00 176.35 174.86 1uy4 s TYR 100 N 2.05 3.39 -0.25 5.38 2.02 -1.26 -0.41 117.35 128.26 1uy4 s TYR 100 Ca 0.13 0.61 0.02 0.00 -0.37 0.00 0.00 57.07 57.47 1uy4 s TYR 100 Cb -0.16 -2.50 0.05 0.00 -0.40 0.00 0.00 41.96 38.95 1uy4 s TYR 100 CO 0.11 0.03 -0.12 0.08 -1.57 0.00 0.00 175.55 174.08 1uy4 s VAL 101 N 1.17 2.22 0.53 0.71 1.01 0.64 -4.98 120.40 121.70 1uy4 s VAL 101 Ca 0.19 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1uy4 s VAL 101 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1uy4 s VAL 101 CO 0.07 0.08 0.78 -0.94 0.00 0.00 0.00 175.10 175.10 1uy4 s SER 102 N 1.15 5.62 0.14 3.32 1.04 -1.26 -0.25 113.70 123.46 1uy4 s SER 102 Ca -0.06 0.40 -0.34 0.00 0.48 0.00 0.00 55.95 56.43 1uy4 s SER 102 Cb -0.19 -1.47 -0.16 0.00 0.10 0.00 0.00 66.02 64.30 1uy4 s SER 102 CO -0.06 -0.94 1.13 -0.24 0.98 0.00 0.00 173.24 174.11 1uy4 n SER 103 N -2.33 1.03 -0.50 7.02 2.88 -1.26 -4.80 113.62 115.65 1uy4 n SER 103 Ca 0.04 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1uy4 n SER 103 Cb 0.58 -1.16 0.22 0.00 -0.75 0.00 0.00 64.21 63.11 1uy4 n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uy4 n THR 104 N 1.52 0.00 0.00 2.46 -2.24 -0.05 -4.98 114.28 111.00 1uy4 n THR 104 Ca 0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1uy4 n THR 104 Cb 0.22 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1uy4 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy4 n GLY 105 N 1.34 2.76 3.63 3.38 0.00 -1.23 -4.80 105.19 110.27 1uy4 n GLY 105 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1uy4 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uy4 s SER 106 N -0.64 -0.33 0.15 1.61 1.04 -1.26 -4.97 113.70 109.29 1uy4 s SER 106 Ca 0.00 -0.24 0.17 0.00 0.48 0.00 0.00 55.95 56.36 1uy4 s SER 106 Cb 0.00 0.54 0.76 0.00 0.10 0.00 0.00 66.02 67.41 1uy4 s SER 106 CO 0.00 -0.93 1.53 0.79 0.98 0.00 0.00 173.24 175.60 1uy4 n TRP 107 N -0.39 0.42 0.01 5.02 7.02 -1.26 -2.56 117.44 125.71 1uy4 n TRP 107 Ca -0.09 0.18 0.02 0.00 -1.02 0.00 0.00 57.50 56.59 1uy4 n TRP 107 Cb 0.62 -0.79 0.03 0.00 -2.42 0.00 0.00 31.31 28.75 1uy4 n TRP 107 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1uy4 n ASN 108 N -1.90 1.90 -4.35 -0.99 5.03 -1.26 -4.73 115.26 108.96 1uy4 n ASN 108 Ca 0.02 -1.70 -0.45 0.00 0.87 0.00 0.00 54.58 53.32 1uy4 n ASN 108 Cb 0.15 -0.04 -0.05 0.00 -1.02 0.00 0.00 39.78 38.82 1uy4 n ASN 108 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1uy4 s THR 109 N -0.74 5.03 0.22 3.41 2.01 -1.06 -4.77 115.64 119.73 1uy4 s THR 109 Ca 0.05 -1.20 -0.16 0.00 0.31 0.00 0.00 61.69 60.69 1uy4 s THR 109 Cb 0.03 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1uy4 s THR 109 CO 0.04 -0.96 0.66 -0.31 -0.69 0.00 0.00 174.62 173.36 1uy4 s TYR 110 N 2.12 3.56 -0.02 4.92 1.51 -1.26 -4.33 117.35 123.85 1uy4 s TYR 110 Ca 0.07 1.21 -0.01 0.00 -1.01 0.00 0.00 57.07 57.33 1uy4 s TYR 110 Cb -0.27 -2.49 0.02 0.00 -0.11 0.00 0.00 41.96 39.11 1uy4 s TYR 110 CO 0.05 0.31 0.05 1.21 -1.11 0.00 0.00 175.55 176.06 1uy4 s ASN 111 N -1.87 -0.01 -0.06 2.29 3.04 0.33 -4.91 114.94 113.75 1uy4 s ASN 111 Ca 0.44 0.10 -0.30 0.00 0.04 0.00 0.00 52.86 53.14 1uy4 s ASN 111 Cb -0.14 0.05 -0.03 0.00 -1.54 0.00 0.00 41.25 39.58 1uy4 s ASN 111 CO 0.20 -0.07 1.14 -0.89 -3.04 0.00 0.00 177.10 174.44 1uy4 s THR 112 N 0.56 4.40 -0.02 -5.21 2.01 -1.26 -1.52 115.64 114.60 1uy4 s THR 112 Ca -0.04 1.71 0.04 0.00 0.31 0.00 0.00 61.69 63.71 1uy4 s THR 112 Cb -0.06 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1uy4 s THR 112 CO -0.02 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.09 1uy4 s VAL 113 N 2.07 1.15 0.12 3.82 1.01 -0.11 -4.97 120.40 123.48 1uy4 s VAL 113 Ca 0.54 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1uy4 s VAL 113 Cb -0.23 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1uy4 s VAL 113 CO 0.21 0.33 -0.14 -0.94 0.00 0.00 0.00 175.10 174.56 1uy4 s SER 114 N -0.25 1.98 0.09 3.32 1.04 -1.26 -1.11 113.70 117.50 1uy4 s SER 114 Ca 0.04 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 1uy4 s SER 114 Cb -0.07 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1uy4 s SER 114 CO -0.00 -0.13 0.08 0.28 0.98 0.00 0.00 173.24 174.45 1uy4 s THR 115 N -1.99 0.16 0.46 2.02 -1.32 0.24 -4.93 115.64 110.27 1uy4 s THR 115 Ca 0.07 -1.61 -0.22 0.00 -1.21 0.00 0.00 61.69 58.73 1uy4 s THR 115 Cb -0.06 -1.59 -0.08 0.00 -1.51 0.00 0.00 72.50 69.27 1uy4 s THR 115 CO 0.03 -0.74 1.11 0.54 -2.21 0.00 0.00 174.62 173.34 1uy4 s ASN 116 N -2.93 6.30 0.23 8.08 4.22 -1.26 -1.34 114.94 128.24 1uy4 s ASN 116 Ca 0.10 2.15 0.04 0.00 -2.14 0.00 0.00 52.86 53.01 1uy4 s ASN 116 Cb 0.07 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.96 1uy4 s ASN 116 CO -0.07 -0.82 -0.01 0.27 -2.04 0.00 0.00 177.10 174.43 1uy4 s ILE 117 N -1.69 1.06 0.45 0.54 -4.36 -0.49 -4.55 121.20 112.16 1uy4 s ILE 117 Ca 0.64 -2.04 -0.24 0.00 -0.26 0.00 0.00 60.65 58.75 1uy4 s ILE 117 Cb -0.24 -2.33 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 1uy4 s ILE 117 CO 0.29 -0.33 1.23 -0.94 0.24 0.00 0.00 174.94 175.42 1uy4 s SER 118 N -3.31 6.10 0.15 4.36 1.04 -0.22 -4.57 113.70 117.25 1uy4 s SER 118 Ca 0.28 2.47 -0.31 0.00 0.48 0.00 0.00 55.95 58.87 1uy4 s SER 118 Cb 0.05 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1uy4 s SER 118 CO 0.09 -0.98 1.70 -0.75 0.98 0.00 0.00 173.24 174.28 1uy4 s LYS 119 N -2.57 4.16 -0.02 4.02 2.20 -1.26 -4.70 119.74 121.58 1uy4 s LYS 119 Ca 0.62 2.49 0.06 0.00 -0.36 0.00 0.00 55.97 58.79 1uy4 s LYS 119 Cb -0.33 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1uy4 s LYS 119 CO 0.41 -0.74 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.96 1uy4 s ILE 120 N 1.86 1.61 0.20 5.43 2.07 -0.89 -4.93 121.20 126.54 1uy4 s ILE 120 Ca 0.75 -0.87 0.05 0.00 -1.41 0.00 0.00 60.65 59.18 1uy4 s ILE 120 Cb -0.45 -1.34 -0.05 0.00 0.13 0.00 0.00 42.46 40.75 1uy4 s ILE 120 CO 0.33 0.45 -0.08 0.42 -1.91 0.00 0.00 174.94 174.15 1uy4 s THR 121 N -0.45 1.33 0.00 4.00 -4.23 -1.26 -1.38 115.64 113.64 1uy4 s THR 121 Ca 0.07 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1uy4 s THR 121 Cb -0.08 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1uy4 s THR 121 CO -0.01 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 1uy4 n GLY 122 N -0.35 -1.34 3.58 3.99 0.00 -0.48 -4.80 105.19 105.79 1uy4 n GLY 122 Ca -0.08 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1uy4 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uy4 s VAL 123 N 0.00 4.75 -0.05 1.61 1.01 -1.26 -0.66 120.40 125.79 1uy4 s VAL 123 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1uy4 s VAL 123 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1uy4 s VAL 123 CO 0.00 0.39 0.22 -1.00 0.00 0.00 0.00 175.10 174.72 1uy4 s HIS 124 N 0.93 -0.16 0.62 5.22 4.02 -0.18 -4.91 115.29 120.82 1uy4 s HIS 124 Ca 0.05 0.36 -0.18 0.00 1.02 0.00 0.00 55.06 56.30 1uy4 s HIS 124 Cb -0.14 0.05 -0.02 0.00 -1.02 0.00 0.00 32.58 31.45 1uy4 s HIS 124 CO 0.03 -0.22 1.20 -0.51 1.02 0.00 0.00 174.74 176.26 1uy4 s ASP 125 N -0.55 5.03 -0.07 1.40 1.11 -1.26 -0.86 116.67 121.47 1uy4 s ASP 125 Ca -0.06 2.36 0.05 0.00 0.18 0.00 0.00 52.55 55.07 1uy4 s ASP 125 Cb -0.04 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.35 1uy4 s ASP 125 CO 0.01 -1.70 -0.22 -0.63 1.18 0.00 0.00 175.17 173.81 1uy4 s ILE 126 N -1.70 1.88 -0.18 0.77 -1.09 0.14 -0.71 121.20 120.31 1uy4 s ILE 126 Ca 0.76 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1uy4 s ILE 126 Cb -0.30 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1uy4 s ILE 126 CO 0.35 0.52 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.75 1uy4 s VAL 127 N 0.08 2.51 -0.12 2.92 1.01 0.20 -0.57 120.40 126.43 1uy4 s VAL 127 Ca -0.09 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1uy4 s VAL 127 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1uy4 s VAL 127 CO 0.05 0.50 0.55 -0.76 0.00 0.00 0.00 175.10 175.44 1uy4 s LEU 128 N 1.24 4.26 -0.18 3.92 1.43 0.36 -0.90 118.68 128.81 1uy4 s LEU 128 Ca 0.03 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1uy4 s LEU 128 Cb -0.14 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1uy4 s LEU 128 CO -0.08 -0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 175.61 1uy4 s VAL 129 N 0.87 2.65 -0.15 -1.59 1.01 -0.09 -1.15 120.40 121.95 1uy4 s VAL 129 Ca 0.29 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1uy4 s VAL 129 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1uy4 s VAL 129 CO 0.12 0.50 0.12 -0.36 0.00 0.00 0.00 175.10 175.49 1uy4 s PHE 130 N 1.14 3.49 -2.66 5.22 0.08 -0.35 -0.77 117.98 124.12 1uy4 s PHE 130 Ca 0.01 0.42 0.26 0.00 0.12 0.00 0.00 56.93 57.73 1uy4 s PHE 130 Cb -0.14 -2.02 0.70 0.00 -0.57 0.00 0.00 43.02 40.99 1uy4 s PHE 130 CO -0.05 0.54 1.54 -1.13 -0.10 0.00 0.00 175.22 176.02 1uy4 n SER 131 N 2.60 2.13 0.00 1.36 3.41 -0.84 -0.57 113.62 121.72 1uy4 n SER 131 Ca -0.18 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1uy4 n SER 131 Cb 0.54 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1uy4 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy4 n GLY 132 N 1.25 -2.07 3.74 5.00 0.00 -1.26 -4.35 105.19 107.50 1uy4 n GLY 132 Ca 0.17 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1uy4 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uy4 s PRO 133 N -1.84 4.32 -0.22 1.61 0.04 -1.23 -4.62 135.00 133.05 1uy4 s PRO 133 Ca 0.00 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 1uy4 s PRO 133 Cb 0.00 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.48 1uy4 s PRO 133 CO 0.00 -0.34 0.79 0.54 0.04 0.00 0.00 177.00 178.02 1uy4 s VAL 134 N 0.03 0.00 -0.15 -0.36 0.11 -1.26 -4.71 120.40 114.07 1uy4 s VAL 134 Ca 0.58 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.51 1uy4 s VAL 134 Cb -0.39 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1uy4 s VAL 134 CO 0.41 0.00 0.24 0.20 -3.33 0.00 0.00 175.10 172.62 1uy4 s ASN 135 N -0.04 6.41 -0.14 3.54 0.01 0.35 -4.56 114.94 120.50 1uy4 s ASN 135 Ca -0.02 0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.62 1uy4 s ASN 135 Cb -0.04 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.49 1uy4 s ASN 135 CO 0.01 0.19 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.91 1uy4 s VAL 136 N 0.08 1.91 -0.17 1.60 1.01 -0.39 -0.99 120.40 123.45 1uy4 s VAL 136 Ca 0.15 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1uy4 s VAL 136 Cb -0.13 -1.72 -0.13 0.00 0.00 0.00 0.00 36.38 34.41 1uy4 s VAL 136 CO 0.03 0.52 0.14 -0.78 0.00 0.00 0.00 175.10 175.02 1uy4 h ASP 137 N 7.56 0.00 -5.06 3.32 1.82 -1.25 0.53 116.42 123.34 1uy4 h ASP 137 Ca -0.36 -0.36 -0.01 0.00 -0.39 0.00 0.00 57.03 55.90 1uy4 h ASP 137 Cb 1.17 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.15 1uy4 h ASP 137 CO 0.56 1.10 0.19 0.54 -1.61 0.00 0.00 179.24 180.02 1uy4 s ASN 138 N -6.29 -0.02 0.25 2.28 6.03 -1.24 -1.56 114.94 114.39 1uy4 s ASN 138 Ca -0.20 -0.98 -0.19 0.00 -1.03 0.00 0.00 52.86 50.46 1uy4 s ASN 138 Cb 0.03 0.78 0.02 0.00 -3.03 0.00 0.00 41.25 39.05 1uy4 s ASN 138 CO 0.43 -1.50 0.63 0.72 -2.03 0.00 0.00 177.10 175.34 1uy4 s PHE 139 N -3.05 -0.11 -0.07 1.54 -0.71 -0.47 -1.32 117.98 113.79 1uy4 s PHE 139 Ca 0.16 -0.28 -0.31 0.00 -1.04 0.00 0.00 56.93 55.46 1uy4 s PHE 139 Cb -0.05 0.54 0.08 0.00 -1.21 0.00 0.00 43.02 42.39 1uy4 s PHE 139 CO 0.10 -1.09 0.75 -1.50 -1.34 0.00 0.00 175.22 172.14 1uy4 s ILE 140 N -3.91 0.00 0.22 -4.49 2.07 -0.16 -0.89 121.20 114.04 1uy4 s ILE 140 Ca 0.12 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.40 1uy4 s ILE 140 Cb -0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 1uy4 s ILE 140 CO 0.03 0.00 0.32 -0.36 -1.91 0.00 0.00 174.94 173.03 1uy4 s PHE 141 N -1.28 3.41 -0.03 3.50 0.08 -0.50 -0.88 117.98 122.28 1uy4 s PHE 141 Ca -0.08 -0.00 0.07 0.00 0.12 0.00 0.00 56.93 57.03 1uy4 s PHE 141 Cb -0.00 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1uy4 s PHE 141 CO 0.07 0.46 -0.22 -1.54 -0.10 0.00 0.00 175.22 173.89 1uy4 s SER 142 N -3.81 3.35 0.47 1.36 1.04 -0.06 -4.58 113.70 111.47 1uy4 s SER 142 Ca 0.34 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 1uy4 s SER 142 Cb -0.09 -0.51 -0.08 0.00 0.10 0.00 0.00 66.02 65.43 1uy4 s SER 142 CO 0.28 0.33 1.08 0.00 0.98 0.00 0.00 173.24 175.91 1uy4 s ARG 143 N -0.63 3.80 0.81 4.02 1.70 -1.26 -0.79 118.95 126.60 1uy4 s ARG 143 Ca 0.10 1.51 -0.11 0.00 -0.47 0.00 0.00 55.73 56.76 1uy4 s ARG 143 Cb -0.10 -2.23 0.08 0.00 -0.57 0.00 0.00 34.95 32.12 1uy4 s ARG 143 CO -0.00 -0.46 1.11 -1.54 -1.08 0.00 0.00 175.30 173.33 1uy4 s SER 144 N -1.75 4.09 0.00 -2.89 1.04 -0.84 -4.42 113.70 108.94 1uy4 s SER 144 Ca 0.65 1.93 0.17 0.00 0.48 0.00 0.00 55.95 59.19 1uy4 s SER 144 Cb -0.21 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.51 1uy4 s SER 144 CO 0.25 -2.32 1.03 -0.24 0.98 0.00 0.00 173.24 172.94