#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss4 s LYS 5 N 0.00 0.12 -0.50 1.20 2.20 -1.26 -5.11 119.74 116.39 1ss4 s LYS 5 Ca 0.00 0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.80 1ss4 s LYS 5 Cb 0.00 -0.14 0.05 0.00 -1.51 0.00 0.00 37.83 36.23 1ss4 s LYS 5 CO 0.00 -0.15 0.64 -1.17 -0.36 0.00 0.00 175.35 174.31 1ss4 s LEU 6 N 1.07 4.88 0.04 5.43 2.96 -1.26 -4.94 118.68 126.86 1ss4 s LEU 6 Ca -0.08 -0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 52.79 1ss4 s LEU 6 Cb -0.10 -2.49 -0.15 0.00 0.50 0.00 0.00 46.19 43.95 1ss4 s LEU 6 CO -0.06 -0.90 1.32 -0.07 -1.32 0.00 0.00 176.35 175.32 1ss4 h LEU 7 N 9.77 0.42 0.00 -0.68 3.38 -2.10 -3.54 115.31 122.56 1ss4 h LEU 7 Ca -0.27 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1ss4 h LEU 7 Cb 1.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1ss4 h LEU 7 CO 0.97 0.86 0.00 -2.11 0.09 0.00 0.00 178.44 178.24 1ss4 n ARG 8 N -4.49 0.00 0.02 1.13 1.85 -1.26 -5.28 116.66 108.62 1ss4 n ARG 8 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1ss4 n ARG 8 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 1ss4 n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ss4 n ASP 10 N 0.00 -0.11 -3.70 2.89 9.92 -1.26 -5.24 116.55 119.04 1ss4 n ASP 10 Ca 0.00 0.06 -0.02 0.00 -0.53 0.00 0.00 54.79 54.30 1ss4 n ASP 10 Cb 0.00 0.23 -0.01 0.00 -0.64 0.00 0.00 41.12 40.70 1ss4 n ASP 10 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ss4 s ASN 11 N -4.33 -0.13 -0.12 -2.24 2.20 -1.26 -3.86 114.94 105.21 1ss4 s ASN 11 Ca 0.00 -0.30 0.03 0.00 -0.94 0.00 0.00 52.86 51.65 1ss4 s ASN 11 Cb 0.00 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.62 1ss4 s ASN 11 CO 0.00 -0.67 -0.22 -0.69 -2.94 0.00 0.00 177.10 172.58 1ss4 s VAL 12 N -2.96 2.17 0.05 3.54 1.01 -0.79 -4.96 120.40 118.47 1ss4 s VAL 12 Ca 0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1ss4 s VAL 12 Cb 0.01 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ss4 s VAL 12 CO -0.00 0.55 0.23 -0.94 0.00 0.00 0.00 175.10 174.94 1ss4 s SER 13 N 0.53 6.39 -0.05 3.32 1.04 -1.26 -1.08 113.70 122.58 1ss4 s SER 13 Ca -0.14 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1ss4 s SER 13 Cb -0.17 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 63.98 1ss4 s SER 13 CO 0.05 0.18 -0.05 -0.63 0.98 0.00 0.00 173.24 173.76 1ss4 s ILE 14 N -1.48 0.62 -0.19 -1.02 1.01 0.54 -4.91 121.20 115.76 1ss4 s ILE 14 Ca 0.34 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 1ss4 s ILE 14 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1ss4 s ILE 14 CO 0.25 0.25 0.54 -0.69 0.00 0.00 0.00 174.94 175.28 1ss4 s VAL 15 N 1.01 5.10 0.34 2.92 1.01 -1.26 -0.43 120.40 129.09 1ss4 s VAL 15 Ca -0.09 1.00 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1ss4 s VAL 15 Cb -0.14 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1ss4 s VAL 15 CO -0.00 0.18 0.03 0.68 0.00 0.00 0.00 175.10 175.99 1ss4 s VAL 16 N 1.58 1.46 -0.09 2.92 -7.23 0.87 -4.92 120.40 114.99 1ss4 s VAL 16 Ca 0.25 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 1ss4 s VAL 16 Cb -0.15 -2.80 -0.28 0.00 0.56 0.00 0.00 36.38 33.71 1ss4 s VAL 16 CO 0.10 -0.04 0.51 -0.08 -0.31 0.00 0.00 175.10 175.27 1ss4 h GLU 17 N 2.05 0.30 -4.83 4.82 4.81 -1.97 -3.39 114.58 116.37 1ss4 h GLU 17 Ca -0.41 -0.51 -0.67 0.00 -0.13 0.00 0.00 59.36 57.63 1ss4 h GLU 17 Cb 1.24 0.19 -0.37 0.00 0.63 0.00 0.00 28.75 30.44 1ss4 h GLU 17 CO 0.72 1.25 -0.78 0.45 -0.73 0.00 0.00 179.01 179.92 1ss4 s SER 18 N -7.13 4.55 0.16 1.04 0.15 -1.26 -4.99 113.70 106.23 1ss4 s SER 18 Ca -0.20 -1.50 -0.15 0.00 0.70 0.00 0.00 55.95 54.80 1ss4 s SER 18 Cb 0.06 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.83 1ss4 s SER 18 CO 0.79 -0.23 1.83 -0.07 1.20 0.00 0.00 173.24 176.76 1ss4 h LEU 19 N 7.77 0.54 -0.27 3.45 3.38 -1.94 -1.36 115.31 126.88 1ss4 h LEU 19 Ca -0.17 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ss4 h LEU 19 Cb 1.04 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1ss4 h LEU 19 CO 0.48 0.39 -0.11 0.44 0.09 0.00 0.00 178.44 179.73 1ss4 h ASP 20 N 0.63 -0.38 -0.49 -0.43 3.32 -1.99 0.33 116.42 117.41 1ss4 h ASP 20 Ca 0.17 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1ss4 h ASP 20 Cb -0.07 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ss4 h ASP 20 CO -0.04 -0.14 0.05 0.78 -1.72 0.00 0.00 179.24 178.17 1ss4 h ASN 21 N -0.06 0.85 -0.32 6.45 2.35 -1.94 -2.24 115.58 120.66 1ss4 h ASN 21 Ca 0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1ss4 h ASN 21 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1ss4 h ASN 21 CO -0.31 0.88 -0.04 0.00 -1.65 0.00 0.00 177.43 176.31 1ss4 h ALA 22 N 1.22 0.44 -0.29 -0.83 0.00 -0.54 -1.95 119.26 117.31 1ss4 h ALA 22 Ca 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ss4 h ALA 22 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ss4 h ALA 22 CO 0.01 0.23 0.04 0.82 0.00 0.00 0.00 179.25 180.35 1ss4 h ILE 23 N 0.38 0.84 -0.87 0.00 2.04 -0.20 -1.48 117.51 118.22 1ss4 h ILE 23 Ca 0.09 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1ss4 h ILE 23 Cb 0.50 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1ss4 h ILE 23 CO 0.02 0.02 0.56 0.28 0.00 0.00 0.00 178.15 179.04 1ss4 h SER 24 N 0.14 0.94 -0.01 1.72 0.02 -1.24 -0.97 113.55 114.15 1ss4 h SER 24 Ca 0.13 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ss4 h SER 24 Cb 0.15 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ss4 h SER 24 CO -0.19 0.66 0.00 0.15 -1.14 0.00 0.00 176.83 176.30 1ss4 h PHE 25 N 1.11 0.01 0.00 3.45 3.57 -0.92 -1.92 116.94 122.23 1ss4 h PHE 25 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1ss4 h PHE 25 Cb -0.03 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1ss4 h PHE 25 CO -0.02 0.21 -0.13 0.74 -2.23 0.00 0.00 178.31 176.89 1ss4 h PHE 26 N -0.20 0.00 0.00 0.41 0.04 -1.07 -0.78 116.94 115.35 1ss4 h PHE 26 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1ss4 h PHE 26 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1ss4 h PHE 26 CO -0.01 0.13 -0.58 0.93 -0.60 0.00 0.00 178.31 178.18 1ss4 h GLU 27 N 0.00 0.00 -0.05 1.51 5.08 -0.89 -2.13 114.58 118.10 1ss4 h GLU 27 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1ss4 h GLU 27 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ss4 h GLU 27 CO 0.02 0.58 -0.35 0.93 -1.00 0.00 0.00 179.01 179.18 1ss4 h GLU 28 N 0.00 0.09 0.00 2.33 4.39 -0.35 -2.32 114.58 118.73 1ss4 h GLU 28 Ca -0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1ss4 h GLU 28 Cb 1.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1ss4 h GLU 28 CO 0.07 0.44 -0.42 0.82 -1.16 0.00 0.00 179.01 178.76 1ss4 h ILE 29 N 0.08 0.94 0.00 3.13 2.04 -1.10 -3.47 117.51 119.13 1ss4 h ILE 29 Ca 0.01 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1ss4 h ILE 29 Cb 0.66 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1ss4 h ILE 29 CO 0.05 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.22 1ss4 n GLY 30 N 0.38 0.76 3.87 5.37 0.00 -0.87 -5.06 105.19 109.64 1ss4 n GLY 30 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ss4 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ss4 s LEU 31 N 0.00 3.26 -0.01 0.99 1.02 -0.84 -4.41 118.68 118.69 1ss4 s LEU 31 Ca 0.00 1.44 0.06 0.00 0.02 0.00 0.00 54.13 55.64 1ss4 s LEU 31 Cb 0.00 -4.47 -0.03 0.00 0.02 0.00 0.00 46.19 41.71 1ss4 s LEU 31 CO 0.00 -0.86 -0.17 0.20 0.02 0.00 0.00 176.35 175.54 1ss4 s ASN 32 N -4.07 3.85 0.02 2.29 -0.87 -0.20 -4.14 114.94 111.82 1ss4 s ASN 32 Ca 0.55 -0.32 -0.30 0.00 -1.57 0.00 0.00 52.86 51.22 1ss4 s ASN 32 Cb -0.11 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.25 40.36 1ss4 s ASN 32 CO 0.52 0.30 1.46 -0.22 -2.57 0.00 0.00 177.10 176.59 1ss4 s LEU 33 N -1.05 4.33 -0.02 0.60 2.96 -1.26 -1.70 118.68 122.54 1ss4 s LEU 33 Ca 0.13 2.21 0.17 0.00 -0.22 0.00 0.00 54.13 56.41 1ss4 s LEU 33 Cb -0.11 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 1ss4 s LEU 33 CO 0.03 -0.76 0.48 1.21 -1.32 0.00 0.00 176.35 175.99 1ss4 n GLU 34 N 5.40 0.85 0.00 1.98 2.13 -1.26 -4.95 120.64 124.79 1ss4 n GLU 34 Ca 0.14 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1ss4 n GLU 34 Cb 0.43 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1ss4 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ss4 n GLY 35 N 1.49 2.43 3.15 8.31 0.00 -1.26 -5.12 105.19 114.19 1ss4 n GLY 35 Ca -0.01 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1ss4 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ss4 s ARG 36 N -2.00 0.76 -0.26 1.61 0.52 -1.26 -4.25 118.95 114.07 1ss4 s ARG 36 Ca 0.00 -0.96 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 1ss4 s ARG 36 Cb 0.00 -0.63 0.07 0.00 0.52 0.00 0.00 34.95 34.91 1ss4 s ARG 36 CO 0.00 0.13 0.64 0.00 0.02 0.00 0.00 175.30 176.09 1ss4 s ALA 37 N -1.58 -1.72 -0.58 2.13 0.00 -0.38 -5.00 121.76 114.63 1ss4 s ALA 37 Ca -0.02 2.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.95 1ss4 s ALA 37 Cb -0.08 -1.31 0.07 0.00 0.00 0.00 0.00 23.12 21.80 1ss4 s ALA 37 CO 0.01 -0.35 0.80 -0.80 0.00 0.00 0.00 175.76 175.42 1ss4 s ASN 38 N 1.44 6.22 -0.63 0.00 0.01 -1.26 -1.07 114.94 119.64 1ss4 s ASN 38 Ca -0.09 -0.98 -0.22 0.00 -0.71 0.00 0.00 52.86 50.86 1ss4 s ASN 38 Cb -0.05 -2.35 0.07 0.00 0.41 0.00 0.00 41.25 39.32 1ss4 s ASN 38 CO -0.16 -1.17 0.93 -0.69 -1.51 0.00 0.00 177.10 174.51 1ss4 s VAL 39 N 3.28 4.38 -0.23 1.60 1.01 0.13 -4.82 120.40 125.75 1ss4 s VAL 39 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1ss4 s VAL 39 Cb -0.19 -4.64 0.06 0.00 0.00 0.00 0.00 36.38 31.62 1ss4 s VAL 39 CO 0.11 -1.37 0.98 1.21 0.00 0.00 0.00 175.10 176.03 1ss4 n GLU 40 N 7.55 2.39 -0.77 2.72 2.13 -1.26 -1.05 120.64 132.34 1ss4 n GLU 40 Ca -0.03 -1.47 -0.29 0.00 0.66 0.00 0.00 57.16 56.03 1ss4 n GLU 40 Cb 0.46 -1.06 0.22 0.00 0.27 0.00 0.00 31.44 31.33 1ss4 n GLU 40 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ss4 s GLY 41 N -0.87 1.56 -0.00 8.31 0.00 -1.26 -4.88 107.32 110.17 1ss4 s GLY 41 Ca 0.05 -0.16 0.22 0.00 0.00 0.00 0.00 44.72 44.82 1ss4 s GLY 41 CO 0.03 0.50 0.89 -1.84 0.00 0.00 0.00 173.10 172.68 1ss4 n GLU 42 N -4.63 0.10 -0.07 2.90 -0.00 -1.26 -4.08 120.64 113.61 1ss4 n GLU 42 Ca 0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.16 57.09 1ss4 n GLU 42 Cb 0.55 -1.51 0.07 0.00 -0.00 0.00 0.00 31.44 30.55 1ss4 n GLU 42 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1ss4 h TRP 43 N 0.00 0.89 -0.18 -1.84 5.08 -1.93 -2.99 115.95 114.97 1ss4 h TRP 43 Ca 0.00 -0.23 0.05 0.00 1.08 0.00 0.00 58.89 59.79 1ss4 h TRP 43 Cb 0.58 -0.20 -0.05 0.00 -3.00 0.00 0.00 29.16 26.49 1ss4 h TRP 43 CO 0.00 0.97 -0.13 0.00 -1.28 0.00 0.00 178.44 178.00 1ss4 h ALA 44 N 1.01 0.00 -0.46 0.11 0.00 -1.93 0.44 119.26 118.43 1ss4 h ALA 44 Ca 0.07 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1ss4 h ALA 44 Cb 0.84 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ss4 h ALA 44 CO 0.07 -0.57 0.32 0.78 0.00 0.00 0.00 179.25 179.86 1ss4 h GLY 45 N -0.14 0.09 1.88 0.00 0.00 -1.66 0.47 103.07 103.72 1ss4 h GLY 45 Ca 0.11 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1ss4 h GLY 45 CO -0.27 0.01 -0.67 3.21 0.00 0.00 0.00 176.54 178.83 1ss4 h ARG 46 N 0.06 0.12 -0.01 4.80 3.08 -0.80 -0.54 114.38 121.09 1ss4 h ARG 46 Ca 0.22 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1ss4 h ARG 46 Cb 0.78 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ss4 h ARG 46 CO -0.02 0.74 -0.05 0.28 -1.07 0.00 0.00 179.97 179.86 1ss4 h VAL 47 N 0.08 1.51 0.00 2.04 2.07 -0.15 -3.32 116.25 118.48 1ss4 h VAL 47 Ca -0.01 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 1ss4 h VAL 47 Cb 1.19 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1ss4 h VAL 47 CO 0.10 0.42 -0.12 0.71 0.02 0.00 0.00 177.57 178.69 1ss4 h THR 48 N -0.57 0.22 0.00 2.57 1.35 -1.36 -3.47 112.91 111.65 1ss4 h THR 48 Ca -0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1ss4 h THR 48 Cb 0.71 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1ss4 h THR 48 CO 0.01 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1ss4 n GLY 49 N 0.84 0.57 0.09 5.82 0.00 -0.24 -4.93 105.19 107.34 1ss4 n GLY 49 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1ss4 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ss4 n LEU 50 N 0.00 0.71 0.00 0.99 4.77 -1.04 -5.03 117.00 117.40 1ss4 n LEU 50 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1ss4 n LEU 50 Cb 0.00 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ss4 n LEU 50 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1ss4 n GLY 51 N 1.46 1.60 3.57 -0.72 0.00 -1.06 -4.75 105.19 105.30 1ss4 n GLY 51 Ca -0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1ss4 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ss4 s SER 52 N -4.00 5.72 -0.01 1.61 0.15 -1.26 -3.99 113.70 111.92 1ss4 s SER 52 Ca 0.00 0.67 -0.00 0.00 0.70 0.00 0.00 55.95 57.31 1ss4 s SER 52 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1ss4 s SER 52 CO 0.00 -1.96 0.02 -1.58 1.20 0.00 0.00 173.24 170.92 1ss4 s GLN 53 N 6.13 0.01 -0.09 5.44 0.74 -1.26 -3.79 119.66 126.84 1ss4 s GLN 53 Ca 0.68 0.07 -0.02 0.00 0.05 0.00 0.00 55.36 56.13 1ss4 s GLN 53 Cb -0.15 -0.06 0.04 0.00 1.10 0.00 0.00 33.01 33.94 1ss4 s GLN 53 CO 0.27 -0.04 0.03 0.00 -0.55 0.00 0.00 175.29 174.99 1ss4 s VAL 55 N 2.03 0.98 -0.16 0.00 1.01 -0.21 -0.84 120.40 123.21 1ss4 s VAL 55 Ca 0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1ss4 s VAL 55 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1ss4 s VAL 55 CO -0.05 0.20 -0.01 -0.70 0.00 0.00 0.00 175.10 174.53 1ss4 s GLU 56 N -0.49 3.73 0.19 2.72 2.12 -0.68 0.20 118.70 126.49 1ss4 s GLU 56 Ca 0.04 -0.48 0.09 0.00 0.36 0.00 0.00 54.97 54.97 1ss4 s GLU 56 Cb -0.05 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1ss4 s GLU 56 CO -0.00 0.23 -0.18 0.96 -0.54 0.00 0.00 175.26 175.73 1ss4 s ILE 57 N 0.41 1.96 0.24 -3.70 -4.36 -0.23 -0.86 121.20 114.67 1ss4 s ILE 57 Ca -0.02 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.34 1ss4 s ILE 57 Cb -0.14 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.57 1ss4 s ILE 57 CO 0.02 -0.37 0.15 0.00 0.24 0.00 0.00 174.94 174.98 1ss4 n ALA 58 N 0.00 0.44 -3.62 2.27 0.00 -0.13 -1.25 120.51 118.23 1ss4 n ALA 58 Ca -0.11 -1.34 -0.09 0.00 0.00 0.00 0.00 53.44 51.91 1ss4 n ALA 58 Cb 0.58 1.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.97 1ss4 n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ss4 s VAL 61 N -2.76 0.00 0.63 0.00 0.11 -0.69 -0.93 120.40 116.76 1ss4 s VAL 61 Ca 0.21 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.14 1ss4 s VAL 61 Cb 0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1ss4 s VAL 61 CO 0.15 0.00 1.04 0.42 -3.33 0.00 0.00 175.10 173.38 1ss4 s THR 62 N -0.34 4.30 0.48 5.04 -4.23 -0.53 -1.03 115.64 119.34 1ss4 s THR 62 Ca 0.02 0.85 0.20 0.00 -1.18 0.00 0.00 61.69 61.58 1ss4 s THR 62 Cb -0.03 -3.60 0.37 0.00 1.34 0.00 0.00 72.50 70.57 1ss4 s THR 62 CO -0.05 -0.88 1.97 -0.65 -0.54 0.00 0.00 174.62 174.47 1ss4 h PRO 63 N -0.16 0.21 0.00 3.99 0.11 -1.92 -0.77 132.00 133.45 1ss4 h PRO 63 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ss4 h PRO 63 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ss4 h PRO 63 CO 0.59 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 1ss4 n ASP 64 N -4.43 0.00 0.00 -2.05 5.68 -1.26 -4.91 116.55 109.58 1ss4 n ASP 64 Ca 0.11 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1ss4 n ASP 64 Cb 0.53 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1ss4 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ss4 n GLY 65 N 0.75 0.93 0.09 6.12 0.00 -0.30 -4.87 105.19 107.92 1ss4 n GLY 65 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1ss4 n GLY 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ss4 h HIS 66 N 0.00 0.00 -4.27 1.61 3.86 -1.91 -3.48 115.15 110.96 1ss4 h HIS 66 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1ss4 h HIS 66 Cb 0.00 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.21 1ss4 h HIS 66 CO 0.00 0.75 -0.87 -1.12 0.86 0.00 0.00 177.93 177.55 1ss4 s SER 67 N -6.03 3.01 0.05 2.45 0.01 -1.26 -4.94 113.70 106.99 1ss4 s SER 67 Ca -0.02 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.68 1ss4 s SER 67 Cb 0.08 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 1ss4 s SER 67 CO 0.81 0.24 -0.08 -0.13 0.41 0.00 0.00 173.24 174.49 1ss4 s ARG 68 N -1.23 0.55 -0.12 12.44 0.52 -1.25 -1.45 118.95 128.42 1ss4 s ARG 68 Ca 0.11 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1ss4 s ARG 68 Cb -0.10 -0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.12 1ss4 s ARG 68 CO 0.02 0.04 -0.16 0.42 0.02 0.00 0.00 175.30 175.64 1ss4 s ILE 69 N -1.63 1.57 -0.40 1.52 1.01 -1.26 -1.88 121.20 120.13 1ss4 s ILE 69 Ca -0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1ss4 s ILE 69 Cb -0.08 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1ss4 s ILE 69 CO -0.00 0.46 0.29 -0.70 0.00 0.00 0.00 174.94 174.98 1ss4 s GLU 70 N 1.07 3.04 -0.01 2.79 2.12 -0.24 -4.75 118.70 122.72 1ss4 s GLU 70 Ca -0.04 -0.97 -0.23 0.00 0.36 0.00 0.00 54.97 54.09 1ss4 s GLU 70 Cb -0.15 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 1ss4 s GLU 70 CO -0.03 -0.70 0.68 -0.51 -0.54 0.00 0.00 175.26 174.15 1ss4 s LEU 71 N 1.68 4.40 -0.02 2.70 1.43 -0.10 -0.34 118.68 128.42 1ss4 s LEU 71 Ca 0.05 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 1ss4 s LEU 71 Cb -0.19 -3.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 1ss4 s LEU 71 CO 0.10 0.01 -0.09 -0.44 0.23 0.00 0.00 176.35 176.16 1ss4 s SER 72 N 0.13 1.19 -0.15 2.29 0.01 0.43 -0.95 113.70 116.64 1ss4 s SER 72 Ca 0.35 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.43 1ss4 s SER 72 Cb -0.19 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1ss4 s SER 72 CO 0.19 0.08 -0.15 -0.60 0.41 0.00 0.00 173.24 173.17 1ss4 s ARG 73 N 0.05 2.43 -0.02 12.44 3.52 -0.04 -0.09 118.95 137.24 1ss4 s ARG 73 Ca -0.01 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 54.68 1ss4 s ARG 73 Cb -0.07 -2.17 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 1ss4 s ARG 73 CO 0.00 -0.21 0.99 -0.06 -0.81 0.00 0.00 175.30 175.21 1ss4 s PHE 74 N 1.38 3.63 -0.25 5.12 0.08 -1.26 -1.69 117.98 124.98 1ss4 s PHE 74 Ca 0.03 1.68 -0.08 0.00 0.12 0.00 0.00 56.93 58.68 1ss4 s PHE 74 Cb -0.13 -3.14 -0.13 0.00 -0.57 0.00 0.00 43.02 39.06 1ss4 s PHE 74 CO -0.10 -0.06 -0.29 1.28 -0.10 0.00 0.00 175.22 175.95 1ss4 n LEU 75 N 4.15 2.21 -3.74 -0.37 4.32 -0.02 -4.76 117.00 118.79 1ss4 n LEU 75 Ca 0.07 0.17 -0.14 0.00 -0.02 0.00 0.00 56.01 56.08 1ss4 n LEU 75 Cb 0.50 -0.79 -0.15 0.00 -1.62 0.00 0.00 43.42 41.36 1ss4 n LEU 75 CO 0.52 0.66 -0.26 -0.89 -1.22 0.00 0.00 177.39 176.20 1ss4 s THR 76 N -2.48 -0.08 0.57 -5.08 2.01 -0.76 -3.88 115.64 105.94 1ss4 s THR 76 Ca -0.35 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 1ss4 s THR 76 Cb 0.12 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 72.37 1ss4 s THR 76 CO 0.49 0.09 1.01 -2.16 -0.69 0.00 0.00 174.62 173.36 1ss4 s PRO 77 N 1.30 3.77 0.89 4.92 0.04 -1.25 -0.07 135.00 144.60 1ss4 s PRO 77 Ca -0.07 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 1ss4 s PRO 77 Cb -0.12 -2.11 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1ss4 s PRO 77 CO -0.05 -0.43 1.11 -1.25 0.04 0.00 0.00 177.00 176.42 1ss4 s PRO 78 N -4.62 1.26 0.50 0.56 0.04 -1.25 -4.88 135.00 126.60 1ss4 s PRO 78 Ca 0.57 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1ss4 s PRO 78 Cb -0.10 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1ss4 s PRO 78 CO 0.43 -2.35 1.15 0.95 0.04 0.00 0.00 177.00 177.22 1ss4 s THR 79 N -2.77 3.13 -0.14 1.26 -4.23 -1.26 -4.96 115.64 106.66 1ss4 s THR 79 Ca 0.64 0.78 0.01 0.00 -1.18 0.00 0.00 61.69 61.95 1ss4 s THR 79 Cb -0.20 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.30 1ss4 s THR 79 CO 0.58 -0.07 0.81 2.30 -0.54 0.00 0.00 174.62 177.70 1ss4 n ILE 80 N -0.84 0.55 -3.85 2.99 -5.35 -1.26 -5.06 119.36 106.54 1ss4 n ILE 80 Ca 0.09 -0.77 -0.07 0.00 -0.27 0.00 0.00 62.75 61.73 1ss4 n ILE 80 Cb 0.49 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 1ss4 n ILE 80 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ss4 s ALA 81 N -0.60 -1.18 -0.17 -1.28 0.00 -1.26 -5.17 121.76 112.10 1ss4 s ALA 81 Ca 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 1ss4 s ALA 81 Cb 0.01 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.02 1ss4 s ALA 81 CO 0.02 -1.03 0.39 0.34 0.00 0.00 0.00 175.76 175.48 1ss4 s ASP 82 N -2.94 -0.42 -0.07 0.00 2.15 -1.26 -5.01 116.67 109.12 1ss4 s ASP 82 Ca 0.12 0.87 0.11 0.00 0.43 0.00 0.00 52.55 54.07 1ss4 s ASP 82 Cb -0.06 0.83 0.19 0.00 -0.30 0.00 0.00 42.92 43.58 1ss4 s ASP 82 CO 0.07 -0.20 1.09 0.00 -0.17 0.00 0.00 175.17 175.97 1ss4 n HIS 83 N 4.48 0.00 0.01 -5.34 1.44 -1.26 -4.82 115.22 109.74 1ss4 n HIS 83 Ca -0.20 -0.57 0.04 0.00 -2.01 0.00 0.00 57.72 54.98 1ss4 n HIS 83 Cb 0.54 -0.12 0.44 0.00 0.12 0.00 0.00 29.99 30.97 1ss4 n HIS 83 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ss4 h ARG 84 N 0.17 0.51 -0.39 -1.40 3.08 -1.94 -2.59 114.38 111.83 1ss4 h ARG 84 Ca -0.02 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 1ss4 h ARG 84 Cb 1.25 -0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.05 1ss4 h ARG 84 CO 0.01 0.34 -0.19 0.25 -1.07 0.00 0.00 179.97 179.31 1ss4 n THR 85 N -4.48 2.57 -1.40 2.04 -2.24 -1.26 -3.98 114.28 105.52 1ss4 n THR 85 Ca 0.03 -3.03 -0.34 0.00 -2.27 0.00 0.00 64.05 58.43 1ss4 n THR 85 Cb 0.06 -0.46 0.10 0.00 -2.10 0.00 0.00 70.33 67.93 1ss4 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss4 s ALA 86 N -3.33 2.09 0.90 6.98 0.00 -0.98 -4.96 121.76 122.46 1ss4 s ALA 86 Ca 0.46 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1ss4 s ALA 86 Cb 0.41 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 20.17 1ss4 s ALA 86 CO -0.01 -1.93 1.09 -1.25 0.00 0.00 0.00 175.76 173.66 1ss4 s PRO 87 N -3.89 1.23 0.22 0.00 0.04 -1.26 -4.93 135.00 126.42 1ss4 s PRO 87 Ca 0.75 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 1ss4 s PRO 87 Cb -0.30 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1ss4 s PRO 87 CO 0.46 -2.30 1.80 0.28 0.04 0.00 0.00 177.00 177.27 1ss4 h VAL 88 N -1.60 1.26 -0.77 -0.36 2.07 -2.00 -3.12 116.25 111.73 1ss4 h VAL 88 Ca -0.49 -0.80 -0.73 0.00 0.82 0.00 0.00 66.70 65.51 1ss4 h VAL 88 Cb 1.28 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 1ss4 h VAL 88 CO 0.52 0.33 2.69 -0.46 0.02 0.00 0.00 177.57 180.67 1ss4 n ASN 89 N -4.28 6.14 -4.08 0.57 6.94 -1.26 -4.87 115.26 114.41 1ss4 n ASN 89 Ca 0.07 -2.96 -0.17 0.00 -0.02 0.00 0.00 54.58 51.50 1ss4 n ASN 89 Cb 0.18 -1.51 -0.13 0.00 -2.36 0.00 0.00 39.78 35.96 1ss4 n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ss4 s ALA 90 N 0.97 0.82 0.33 -2.53 0.00 -1.18 -5.14 121.76 115.03 1ss4 s ALA 90 Ca 0.50 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.48 1ss4 s ALA 90 Cb 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 1ss4 s ALA 90 CO -0.05 0.11 0.99 -0.51 0.00 0.00 0.00 175.76 176.29 1ss4 s LEU 91 N -1.19 4.34 0.00 0.00 1.43 -1.26 -4.91 118.68 117.08 1ss4 s LEU 91 Ca -0.03 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1ss4 s LEU 91 Cb -0.08 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1ss4 s LEU 91 CO 0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1ss4 n GLY 92 N 0.64 -0.27 3.66 -3.19 0.00 -1.26 -5.02 105.19 99.75 1ss4 n GLY 92 Ca 0.02 -2.27 -0.45 0.00 0.00 0.00 0.00 46.02 43.32 1ss4 n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ss4 n TYR 93 N -0.42 2.07 -0.04 1.61 4.01 -1.26 -4.92 117.16 118.21 1ss4 n TYR 93 Ca 0.00 0.45 -0.06 0.00 -0.16 0.00 0.00 57.90 58.14 1ss4 n TYR 93 Cb 0.00 -2.44 -0.02 0.00 -0.31 0.00 0.00 39.34 36.57 1ss4 n TYR 93 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1ss4 n LEU 94 N 2.20 1.62 -3.51 7.72 7.94 -1.26 -5.10 117.00 126.60 1ss4 n LEU 94 Ca 0.12 0.26 -0.09 0.00 -1.11 0.00 0.00 56.01 55.19 1ss4 n LEU 94 Cb 0.30 -0.59 -0.02 0.00 0.53 0.00 0.00 43.42 43.64 1ss4 n LEU 94 CO 0.62 -0.45 0.70 0.00 -1.11 0.00 0.00 177.39 177.16 1ss4 s ARG 95 N -2.56 0.79 0.00 1.96 1.04 -1.26 -4.68 118.95 114.24 1ss4 s ARG 95 Ca -0.18 -0.23 0.00 0.00 -1.04 0.00 0.00 55.73 54.28 1ss4 s ARG 95 Cb 0.03 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.30 1ss4 s ARG 95 CO 0.27 -0.33 0.00 1.33 -0.04 0.00 0.00 175.30 176.53 1ss4 n VAL 96 N -0.09 0.00 -3.64 4.99 0.24 -1.26 -4.92 118.33 113.65 1ss4 n VAL 96 Ca -0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1ss4 n VAL 96 Cb 0.61 -1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 1ss4 n VAL 96 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ss4 s PHE 98 N 1.67 -0.18 -0.22 6.34 0.08 -0.50 -0.53 117.98 124.63 1ss4 s PHE 98 Ca 0.00 0.43 -0.08 0.00 0.12 0.00 0.00 56.93 57.40 1ss4 s PHE 98 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 42.86 1ss4 s PHE 98 CO 0.00 -0.10 0.10 0.99 -0.10 0.00 0.00 175.22 176.10 1ss4 s THR 99 N -0.10 4.84 0.26 0.64 2.01 -1.26 -0.69 115.64 121.34 1ss4 s THR 99 Ca 0.06 -0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.16 1ss4 s THR 99 Cb -0.04 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1ss4 s THR 99 CO -0.11 0.39 -0.18 0.68 -0.69 0.00 0.00 174.62 174.71 1ss4 s VAL 100 N 0.93 2.28 0.22 3.82 -7.23 0.26 -4.94 120.40 115.75 1ss4 s VAL 100 Ca 0.05 -2.35 -0.05 0.00 -1.81 0.00 0.00 61.98 57.82 1ss4 s VAL 100 Cb -0.14 -2.25 0.09 0.00 0.56 0.00 0.00 36.38 34.64 1ss4 s VAL 100 CO 0.03 -0.44 1.70 -0.08 -0.31 0.00 0.00 175.10 176.00 1ss4 h GLU 101 N 2.33 0.93 -3.18 4.82 4.81 -1.99 -3.40 114.58 118.90 1ss4 h GLU 101 Ca -0.40 -0.27 -0.55 0.00 -0.13 0.00 0.00 59.36 58.01 1ss4 h GLU 101 Cb 1.25 -0.10 -0.40 0.00 0.63 0.00 0.00 28.75 30.13 1ss4 h GLU 101 CO 0.61 0.92 -0.77 0.34 -0.73 0.00 0.00 179.01 179.38 1ss4 s ASP 102 N -6.61 3.71 0.39 1.04 -1.08 -1.26 -4.90 116.67 107.95 1ss4 s ASP 102 Ca -0.10 -1.41 0.13 0.00 -0.52 0.00 0.00 52.55 50.65 1ss4 s ASP 102 Cb 0.14 -0.59 0.78 0.00 -1.46 0.00 0.00 42.92 41.79 1ss4 s ASP 102 CO 0.83 -0.42 1.86 -0.29 0.52 0.00 0.00 175.17 177.67 1ss4 h ILE 103 N 6.45 1.23 -0.24 4.11 2.10 -1.89 -3.06 117.51 126.21 1ss4 h ILE 103 Ca -0.17 -1.16 -0.04 0.00 1.08 0.00 0.00 64.86 64.57 1ss4 h ILE 103 Cb 1.02 1.63 -0.01 0.00 -1.09 0.00 0.00 36.82 38.37 1ss4 h ILE 103 CO 0.45 0.33 0.00 0.44 -1.08 0.00 0.00 178.15 178.29 1ss4 h ASP 104 N 0.00 0.41 0.00 2.19 3.32 -1.98 -0.64 116.42 119.72 1ss4 h ASP 104 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1ss4 h ASP 104 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ss4 h ASP 104 CO 0.04 0.62 0.00 1.21 -1.72 0.00 0.00 179.24 179.39 1ss4 n GLU 105 N -4.65 0.33 0.00 3.56 0.00 -1.16 -1.31 120.64 117.42 1ss4 n GLU 105 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1ss4 n GLU 105 Cb 0.24 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.37 1ss4 n GLU 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ss4 n VAL 107 N 0.75 0.00 -0.08 6.31 0.31 -0.25 -1.30 118.33 124.08 1ss4 n VAL 107 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1ss4 n VAL 107 Cb 0.15 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.05 1ss4 n VAL 107 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ss4 h SER 108 N 0.00 0.33 -0.22 4.52 0.87 -1.44 -0.20 113.55 117.41 1ss4 h SER 108 Ca 0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1ss4 h SER 108 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1ss4 h SER 108 CO 0.00 0.34 0.05 -0.09 -0.53 0.00 0.00 176.83 176.60 1ss4 h ARG 109 N 0.30 0.36 -0.52 2.24 2.43 -1.45 -1.31 114.38 116.43 1ss4 h ARG 109 Ca 0.09 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ss4 h ARG 109 Cb 0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1ss4 h ARG 109 CO -0.01 0.48 0.16 -0.07 -1.51 0.00 0.00 179.97 179.01 1ss4 h LEU 110 N 0.17 0.75 -1.17 3.80 3.38 -1.79 -2.54 115.31 117.91 1ss4 h LEU 110 Ca 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1ss4 h LEU 110 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ss4 h LEU 110 CO 0.00 0.76 -0.02 0.71 0.09 0.00 0.00 178.44 179.98 1ss4 h THR 111 N 0.71 1.21 -0.23 0.22 1.35 -0.95 -1.26 112.91 113.95 1ss4 h THR 111 Ca 0.17 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1ss4 h THR 111 Cb 0.28 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1ss4 h THR 111 CO -0.00 0.29 0.07 0.11 -0.25 0.00 0.00 175.52 175.74 1ss4 h LYS 112 N 0.52 0.31 -0.59 4.72 1.57 -0.87 -1.10 116.57 121.12 1ss4 h LYS 112 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ss4 h LYS 112 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ss4 h LYS 112 CO 0.01 0.28 0.00 0.72 -0.57 0.00 0.00 179.45 179.90 1ss4 n HIS 113 N -4.42 0.86 0.00 -1.35 8.25 -0.58 -4.91 115.22 113.07 1ss4 n HIS 113 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1ss4 n HIS 113 Cb 0.14 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1ss4 n HIS 113 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ss4 n GLY 114 N 0.76 1.72 3.74 -1.41 0.00 -0.42 -5.06 105.19 104.52 1ss4 n GLY 114 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ss4 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss4 s ALA 115 N -2.27 2.07 -0.03 4.61 0.00 -0.58 -4.95 121.76 120.61 1ss4 s ALA 115 Ca 0.00 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1ss4 s ALA 115 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1ss4 s ALA 115 CO 0.00 -1.94 -0.01 -1.21 0.00 0.00 0.00 175.76 172.60 1ss4 s GLU 116 N -4.49 0.36 0.45 0.00 2.02 -0.26 -4.28 118.70 112.50 1ss4 s GLU 116 Ca 0.66 0.02 -0.25 0.00 0.02 0.00 0.00 54.97 55.42 1ss4 s GLU 116 Cb -0.21 -0.49 -0.08 0.00 0.10 0.00 0.00 34.13 33.45 1ss4 s GLU 116 CO 0.52 -0.09 1.33 -0.51 0.02 0.00 0.00 175.26 176.52 1ss4 s LEU 117 N 0.82 4.11 -0.18 1.80 1.43 -1.26 0.08 118.68 125.47 1ss4 s LEU 117 Ca -0.09 2.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 1ss4 s LEU 117 Cb -0.12 -4.01 -0.21 0.00 0.03 0.00 0.00 46.19 41.88 1ss4 s LEU 117 CO -0.01 -1.06 0.18 0.52 0.23 0.00 0.00 176.35 176.21 1ss4 n VAL 118 N -0.21 1.65 0.00 -1.59 0.31 -0.11 -4.83 118.33 113.55 1ss4 n VAL 118 Ca 0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1ss4 n VAL 118 Cb 0.44 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1ss4 n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ss4 n GLY 119 N 1.76 1.82 3.38 2.92 0.00 -1.26 -5.07 105.19 108.75 1ss4 n GLY 119 Ca -0.36 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1ss4 n GLY 119 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ss4 s GLU 120 N 3.77 1.67 -0.19 1.61 -1.05 -1.26 -4.99 118.70 118.26 1ss4 s GLU 120 Ca 0.00 -1.96 -0.28 0.00 -0.15 0.00 0.00 54.97 52.58 1ss4 s GLU 120 Cb 0.00 -0.28 -0.00 0.00 -0.44 0.00 0.00 34.13 33.41 1ss4 s GLU 120 CO 0.00 -0.43 0.97 0.08 0.95 0.00 0.00 175.26 176.83 1ss4 s VAL 121 N -3.49 4.76 -0.00 1.83 1.01 -1.26 -4.61 120.40 118.63 1ss4 s VAL 121 Ca 0.33 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.29 1ss4 s VAL 121 Cb 0.05 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1ss4 s VAL 121 CO 0.17 -0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.31 1ss4 s VAL 122 N 2.70 2.82 -0.17 2.92 1.01 0.39 -4.93 120.40 125.14 1ss4 s VAL 122 Ca 0.43 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ss4 s VAL 122 Cb -0.16 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1ss4 s VAL 122 CO 0.10 0.46 0.04 -1.58 0.00 0.00 0.00 175.10 174.13 1ss4 s GLN 123 N -1.07 3.84 -0.41 2.72 0.74 -1.26 -0.29 119.66 123.93 1ss4 s GLN 123 Ca 0.13 -0.37 -0.14 0.00 0.05 0.00 0.00 55.36 55.03 1ss4 s GLN 123 Cb -0.10 -3.13 0.03 0.00 1.10 0.00 0.00 33.01 30.90 1ss4 s GLN 123 CO 0.03 0.32 0.28 -0.47 -0.55 0.00 0.00 175.29 174.90 1ss4 s TYR 124 N 0.23 3.24 0.00 1.67 5.04 0.94 -4.97 117.35 123.50 1ss4 s TYR 124 Ca 0.03 -0.74 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 1ss4 s TYR 124 Cb -0.13 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1ss4 s TYR 124 CO 0.01 -0.63 0.00 0.39 -1.34 0.00 0.00 175.55 173.98 1ss4 n GLU 125 N 5.12 0.00 -0.32 4.97 1.02 -1.26 -1.61 120.64 128.55 1ss4 n GLU 125 Ca -0.11 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1ss4 n GLU 125 Cb 0.46 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.01 1ss4 n GLU 125 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ss4 n ASN 126 N 3.79 1.80 -0.13 1.62 6.94 -1.26 -4.78 115.26 123.24 1ss4 n ASN 126 Ca 0.00 -3.06 -0.26 0.00 -0.02 0.00 0.00 54.58 51.24 1ss4 n ASN 126 Cb 0.00 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 36.90 1ss4 n ASN 126 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1ss4 n SER 127 N -1.06 1.96 -3.74 0.53 7.64 -0.64 -4.71 113.62 113.61 1ss4 n SER 127 Ca 0.14 0.21 -0.07 0.00 1.01 0.00 0.00 58.87 60.15 1ss4 n SER 127 Cb 0.69 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1ss4 n SER 127 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1ss4 s TYR 128 N -2.51 -0.09 0.05 1.43 1.13 -1.13 -0.39 117.35 115.84 1ss4 s TYR 128 Ca -0.37 -0.39 0.07 0.00 -1.41 0.00 0.00 57.07 54.96 1ss4 s TYR 128 Cb 0.13 0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 41.64 1ss4 s TYR 128 CO 0.53 -1.26 -0.20 1.03 -2.51 0.00 0.00 175.55 173.14 1ss4 s ARG 129 N -3.71 1.30 0.22 -3.49 0.52 -0.53 -0.04 118.95 113.23 1ss4 s ARG 129 Ca 0.13 -0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 1ss4 s ARG 129 Cb -0.05 -1.40 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1ss4 s ARG 129 CO 0.08 0.36 0.50 -0.48 0.02 0.00 0.00 175.30 175.77 1ss4 s LEU 130 N -1.21 0.24 0.16 2.53 2.34 0.60 -0.07 118.68 123.28 1ss4 s LEU 130 Ca 0.06 -0.73 -0.24 0.00 0.06 0.00 0.00 54.13 53.28 1ss4 s LEU 130 Cb -0.09 1.94 0.06 0.00 -0.56 0.00 0.00 46.19 47.55 1ss4 s LEU 130 CO 0.02 -1.11 0.76 0.00 -1.06 0.00 0.00 176.35 174.96 1ss4 s TYR 132 N -3.59 2.76 0.02 0.00 1.51 -1.26 -1.33 117.35 115.46 1ss4 s TYR 132 Ca 0.07 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1ss4 s TYR 132 Cb -0.03 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1ss4 s TYR 132 CO -0.03 -0.03 -0.06 -1.50 -1.11 0.00 0.00 175.55 172.81 1ss4 s ILE 133 N -0.15 0.45 -0.24 2.71 2.07 0.22 -0.93 121.20 125.32 1ss4 s ILE 133 Ca -0.01 -0.68 -0.12 0.00 -1.41 0.00 0.00 60.65 58.44 1ss4 s ILE 133 Cb -0.13 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1ss4 s ILE 133 CO 0.03 -0.16 0.22 -0.13 -1.91 0.00 0.00 174.94 172.99 1ss4 s ARG 134 N -0.91 4.06 0.00 3.50 0.52 0.11 -0.75 118.95 125.49 1ss4 s ARG 134 Ca -0.05 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1ss4 s ARG 134 Cb -0.06 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1ss4 s ARG 134 CO 0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1ss4 n GLY 135 N 4.40 2.39 3.59 -3.53 0.00 0.09 -1.10 105.19 111.02 1ss4 n GLY 135 Ca -0.13 -1.00 -0.52 0.00 0.00 0.00 0.00 46.02 44.36 1ss4 n GLY 135 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ss4 n VAL 136 N 0.00 0.01 -2.41 1.61 3.14 -1.26 -0.57 118.33 118.85 1ss4 n VAL 136 Ca 0.00 -0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1ss4 n VAL 136 Cb 0.00 -0.82 -0.01 0.00 -1.06 0.00 0.00 33.84 31.95 1ss4 n VAL 136 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ss4 n GLU 137 N 2.61 -2.18 -0.92 1.45 1.02 -1.26 -1.29 120.64 120.07 1ss4 n GLU 137 Ca 0.19 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1ss4 n GLU 137 Cb 0.19 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 1ss4 n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ss4 n GLY 138 N -0.80 0.49 3.73 0.62 0.00 0.26 -4.72 105.19 104.77 1ss4 n GLY 138 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ss4 n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ss4 s ILE 139 N -2.29 2.38 0.07 -0.61 1.01 -0.41 -4.46 121.20 116.89 1ss4 s ILE 139 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 1ss4 s ILE 139 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1ss4 s ILE 139 CO 0.00 0.04 1.13 -0.22 0.00 0.00 0.00 174.94 175.89 1ss4 s LEU 140 N 0.31 4.39 0.02 2.97 2.96 -1.26 -0.73 118.68 127.33 1ss4 s LEU 140 Ca 0.66 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 1ss4 s LEU 140 Cb -0.45 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.64 1ss4 s LEU 140 CO 0.39 -0.38 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.38 1ss4 s ILE 141 N 0.83 0.17 0.09 6.68 1.01 0.07 -4.19 121.20 125.87 1ss4 s ILE 141 Ca 0.56 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1ss4 s ILE 141 Cb -0.28 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1ss4 s ILE 141 CO 0.30 -0.29 0.03 -0.83 0.00 0.00 0.00 174.94 174.15 1ss4 s GLY 142 N -0.97 1.95 0.01 6.18 0.00 0.30 -0.61 107.32 114.19 1ss4 s GLY 142 Ca -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1ss4 s GLY 142 CO -0.00 -1.06 -0.07 1.08 0.00 0.00 0.00 173.10 173.04 1ss4 s LEU 143 N -2.36 2.10 0.03 0.66 1.43 -0.44 -1.41 118.68 118.69 1ss4 s LEU 143 Ca 0.27 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1ss4 s LEU 143 Cb -0.12 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1ss4 s LEU 143 CO 0.20 -0.02 0.08 0.00 0.23 0.00 0.00 176.35 176.84 1ss4 s ALA 144 N -0.58 -0.04 -0.04 4.21 0.00 0.13 -1.01 121.76 124.44 1ss4 s ALA 144 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1ss4 s ALA 144 Cb -0.05 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1ss4 s ALA 144 CO 0.00 -0.30 -0.10 -2.00 0.00 0.00 0.00 175.76 173.36 1ss4 s GLU 145 N -2.49 1.17 -0.08 0.00 2.12 0.90 -0.58 118.70 119.75 1ss4 s GLU 145 Ca -0.06 -0.35 -0.25 0.00 0.36 0.00 0.00 54.97 54.68 1ss4 s GLU 145 Cb -0.02 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.28 1ss4 s GLU 145 CO -0.04 0.10 0.77 -1.21 -0.54 0.00 0.00 175.26 174.34 1ss4 s GLU 146 N 0.30 4.43 -0.04 4.30 2.02 -1.26 -1.45 118.70 126.99 1ss4 s GLU 146 Ca -0.06 0.99 -0.19 0.00 0.02 0.00 0.00 54.97 55.73 1ss4 s GLU 146 Cb -0.11 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1ss4 s GLU 146 CO 0.01 -0.04 0.55 -0.51 0.02 0.00 0.00 175.26 175.29 1ss4 s LEU 147 N 1.12 4.37 0.00 1.80 1.43 0.47 -4.97 118.68 122.90 1ss4 s LEU 147 Ca 0.40 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1ss4 s LEU 147 Cb -0.18 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1ss4 s LEU 147 CO 0.18 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.45