#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss4 n ALA 2 N 0.00 2.50 -1.58 0.00 0.00 -1.26 -5.10 120.51 115.08 1ss4 n ALA 2 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1ss4 n ALA 2 Cb 0.00 0.32 0.09 0.00 0.00 0.00 0.00 19.45 19.86 1ss4 n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ss4 n LYS 3 N -3.50 2.78 -3.85 0.00 5.02 -1.26 -5.02 118.16 112.34 1ss4 n LYS 3 Ca -0.10 -3.54 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 1ss4 n LYS 3 Cb 0.41 -2.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.25 1ss4 n LYS 3 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1ss4 s ASN 4 N -2.54 -0.03 -0.21 4.39 3.84 -1.26 -5.17 114.94 113.97 1ss4 s ASN 4 Ca 0.55 -0.35 -0.17 0.00 0.21 0.00 0.00 52.86 53.11 1ss4 s ASN 4 Cb 0.45 0.29 0.06 0.00 -0.55 0.00 0.00 41.25 41.50 1ss4 s ASN 4 CO 0.02 -0.57 0.54 -0.75 -2.79 0.00 0.00 177.10 173.55 1ss4 s LYS 5 N -2.28 0.60 -0.47 0.43 2.20 -1.26 -5.09 119.74 113.87 1ss4 s LYS 5 Ca 0.22 0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 56.49 1ss4 s LYS 5 Cb 0.00 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1ss4 s LYS 5 CO 0.01 -0.10 0.52 -1.17 -0.36 0.00 0.00 175.35 174.24 1ss4 s LEU 6 N 0.71 5.08 0.12 5.43 2.96 -1.26 -4.93 118.68 126.79 1ss4 s LEU 6 Ca -0.03 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1ss4 s LEU 6 Cb -0.05 -2.37 -0.12 0.00 0.50 0.00 0.00 46.19 44.15 1ss4 s LEU 6 CO -0.05 -0.74 1.29 -0.07 -1.32 0.00 0.00 176.35 175.46 1ss4 h LEU 7 N 9.28 0.70 0.00 -0.68 3.38 -2.09 -3.54 115.31 122.37 1ss4 h LEU 7 Ca -0.27 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1ss4 h LEU 7 Cb 1.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ss4 h LEU 7 CO 0.89 1.32 0.00 -2.11 0.09 0.00 0.00 178.44 178.63 1ss4 n ARG 8 N -3.82 0.00 0.00 1.13 0.00 -1.26 -5.27 116.66 107.44 1ss4 n ARG 8 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1ss4 n ARG 8 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.28 1ss4 n ARG 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ss4 n ASP 10 N 0.00 0.02 -3.62 2.89 2.03 -1.26 -5.23 116.55 111.37 1ss4 n ASP 10 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1ss4 n ASP 10 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ss4 n ASP 10 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ss4 s ASN 11 N -4.07 -0.10 -0.05 1.67 2.20 -1.26 -3.79 114.94 109.53 1ss4 s ASN 11 Ca 0.00 -0.13 0.05 0.00 -0.94 0.00 0.00 52.86 51.85 1ss4 s ASN 11 Cb 0.00 0.20 -0.02 0.00 -2.00 0.00 0.00 41.25 39.43 1ss4 s ASN 11 CO 0.00 -0.36 -0.21 0.54 -2.94 0.00 0.00 177.10 174.13 1ss4 s VAL 12 N -2.54 2.46 0.11 3.54 0.11 -0.90 -4.96 120.40 118.21 1ss4 s VAL 12 Ca 0.12 -0.94 0.08 0.00 -2.93 0.00 0.00 61.98 58.31 1ss4 s VAL 12 Cb 0.03 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1ss4 s VAL 12 CO -0.04 0.58 -0.12 -0.94 -3.33 0.00 0.00 175.10 171.25 1ss4 s SER 13 N -0.46 4.25 -0.04 3.54 1.04 -1.26 -1.00 113.70 119.77 1ss4 s SER 13 Ca 0.05 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1ss4 s SER 13 Cb -0.12 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.25 1ss4 s SER 13 CO 0.01 0.18 -0.12 -0.63 0.98 0.00 0.00 173.24 173.66 1ss4 s ILE 14 N -1.21 1.06 -0.22 -1.02 1.01 0.60 -4.93 121.20 116.50 1ss4 s ILE 14 Ca 0.21 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1ss4 s ILE 14 Cb -0.11 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1ss4 s ILE 14 CO 0.13 0.33 0.48 -0.69 0.00 0.00 0.00 174.94 175.18 1ss4 s VAL 15 N 0.34 5.12 0.31 2.92 1.01 -1.26 -1.05 120.40 127.79 1ss4 s VAL 15 Ca -0.07 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1ss4 s VAL 15 Cb -0.12 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1ss4 s VAL 15 CO 0.02 0.17 -0.06 0.68 0.00 0.00 0.00 175.10 175.91 1ss4 s VAL 16 N 1.75 1.83 -0.04 2.92 -7.23 0.12 -4.93 120.40 114.81 1ss4 s VAL 16 Ca 0.22 -2.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 1ss4 s VAL 16 Cb -0.15 -2.58 -0.30 0.00 0.56 0.00 0.00 36.38 33.91 1ss4 s VAL 16 CO 0.09 -0.23 0.92 -0.08 -0.31 0.00 0.00 175.10 175.50 1ss4 h GLU 17 N 2.15 0.30 -4.56 4.82 4.81 -1.98 -3.40 114.58 116.73 1ss4 h GLU 17 Ca -0.41 -0.47 -0.62 0.00 -0.13 0.00 0.00 59.36 57.73 1ss4 h GLU 17 Cb 1.24 0.17 -0.37 0.00 0.63 0.00 0.00 28.75 30.42 1ss4 h GLU 17 CO 0.69 1.20 -0.81 0.45 -0.73 0.00 0.00 179.01 179.82 1ss4 s SER 18 N -6.89 3.56 0.13 1.04 0.15 -1.26 -4.98 113.70 105.46 1ss4 s SER 18 Ca -0.14 -0.98 -0.14 0.00 0.70 0.00 0.00 55.95 55.39 1ss4 s SER 18 Cb 0.01 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.06 1ss4 s SER 18 CO 0.82 -0.16 1.59 0.25 1.20 0.00 0.00 173.24 176.93 1ss4 h LEU 19 N 7.95 0.73 -0.42 3.45 5.85 -1.93 -1.95 115.31 128.99 1ss4 h LEU 19 Ca -0.25 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.24 1ss4 h LEU 19 Cb 1.09 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1ss4 h LEU 19 CO 0.46 0.84 0.05 0.44 -0.34 0.00 0.00 178.44 179.90 1ss4 h ASP 20 N 0.59 -0.06 -0.52 1.25 3.32 -1.99 0.41 116.42 119.41 1ss4 h ASP 20 Ca 0.12 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1ss4 h ASP 20 Cb 0.46 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1ss4 h ASP 20 CO 0.02 0.00 -0.13 0.78 -1.72 0.00 0.00 179.24 178.20 1ss4 h ASN 21 N 0.17 1.03 -0.33 6.45 2.35 -1.96 -1.83 115.58 121.47 1ss4 h ASN 21 Ca 0.21 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1ss4 h ASN 21 Cb 0.27 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1ss4 h ASN 21 CO -0.30 1.15 -0.03 0.00 -1.65 0.00 0.00 177.43 176.60 1ss4 h ALA 22 N 0.94 0.44 -0.25 -0.83 0.00 -1.01 -1.17 119.26 117.39 1ss4 h ALA 22 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ss4 h ALA 22 Cb 0.70 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ss4 h ALA 22 CO 0.05 0.23 0.04 0.82 0.00 0.00 0.00 179.25 180.39 1ss4 h ILE 23 N 0.39 0.88 -0.61 0.00 2.04 -0.89 -1.47 117.51 117.84 1ss4 h ILE 23 Ca 0.09 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1ss4 h ILE 23 Cb 0.49 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1ss4 h ILE 23 CO 0.02 0.02 0.29 -1.28 0.00 0.00 0.00 178.15 177.21 1ss4 h SER 24 N 0.13 0.38 -0.08 1.72 0.87 -1.11 -1.19 113.55 114.27 1ss4 h SER 24 Ca 0.11 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1ss4 h SER 24 Cb 0.12 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ss4 h SER 24 CO -0.15 0.24 0.04 0.15 -0.53 0.00 0.00 176.83 176.58 1ss4 h PHE 25 N 0.53 0.11 0.00 2.24 3.57 -0.69 -2.43 116.94 120.27 1ss4 h PHE 25 Ca 0.29 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1ss4 h PHE 25 Cb 0.27 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ss4 h PHE 25 CO -0.12 0.16 -0.18 0.74 -2.23 0.00 0.00 178.31 176.69 1ss4 h PHE 26 N 0.02 0.00 -0.53 0.41 0.04 -1.02 -1.88 116.94 113.98 1ss4 h PHE 26 Ca 0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.70 1ss4 h PHE 26 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1ss4 h PHE 26 CO -0.04 0.18 -0.06 0.93 -0.60 0.00 0.00 178.31 178.71 1ss4 h GLU 27 N 0.00 0.96 -0.30 1.51 5.08 -0.93 -1.08 114.58 119.82 1ss4 h GLU 27 Ca -0.00 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1ss4 h GLU 27 Cb 0.59 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ss4 h GLU 27 CO 0.02 0.98 -0.10 0.93 -1.00 0.00 0.00 179.01 179.85 1ss4 h GLU 28 N 0.86 0.50 -0.00 2.33 4.39 -0.88 -1.51 114.58 120.28 1ss4 h GLU 28 Ca 0.15 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1ss4 h GLU 28 Cb 0.60 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1ss4 h GLU 28 CO 0.04 0.61 -0.41 0.82 -1.16 0.00 0.00 179.01 178.90 1ss4 h ILE 29 N 0.47 1.30 0.00 3.13 1.08 -0.96 -3.47 117.51 119.06 1ss4 h ILE 29 Ca 0.09 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1ss4 h ILE 29 Cb 0.46 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1ss4 h ILE 29 CO 0.03 0.41 0.00 0.61 -0.69 0.00 0.00 178.15 178.50 1ss4 n GLY 30 N -0.34 0.42 3.88 5.37 0.00 -0.57 -5.06 105.19 108.89 1ss4 n GLY 30 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 3.75 0.06 0.99 1.02 -0.49 -4.44 118.68 119.57 1ss4 s LEU 31 Ca 0.00 1.15 0.05 0.00 0.02 0.00 0.00 54.13 55.34 1ss4 s LEU 31 Cb 0.00 -4.05 -0.04 0.00 0.02 0.00 0.00 46.19 42.12 1ss4 s LEU 31 CO 0.00 -0.47 -0.04 0.20 0.02 0.00 0.00 176.35 176.06 1ss4 s ASN 32 N -3.35 4.77 -0.32 2.29 0.01 0.44 -4.05 114.94 114.73 1ss4 s ASN 32 Ca 0.51 -0.20 -0.24 0.00 -0.71 0.00 0.00 52.86 52.22 1ss4 s ASN 32 Cb -0.10 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1ss4 s ASN 32 CO 0.35 0.22 0.84 -0.22 -1.51 0.00 0.00 177.10 176.77 1ss4 s LEU 33 N -1.94 4.07 -0.03 0.60 2.96 -1.26 0.19 118.68 123.26 1ss4 s LEU 33 Ca 0.21 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.68 1ss4 s LEU 33 Cb -0.11 -3.15 -0.32 0.00 0.50 0.00 0.00 46.19 43.11 1ss4 s LEU 33 CO 0.13 -0.68 0.76 -0.33 -1.32 0.00 0.00 176.35 174.92 1ss4 h GLU 34 N 8.16 0.42 -2.48 1.98 5.08 -1.96 -3.48 114.58 122.30 1ss4 h GLU 34 Ca -0.24 -0.72 0.14 0.00 -1.00 0.00 0.00 59.36 57.54 1ss4 h GLU 34 Cb 1.09 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 1ss4 h GLU 34 CO 0.91 1.35 0.43 0.20 -1.00 0.00 0.00 179.01 180.90 1ss4 s GLY 35 N -4.92 -0.28 -0.18 -3.84 0.00 -1.26 -5.15 107.32 91.70 1ss4 s GLY 35 Ca -0.14 0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 1ss4 s GLY 35 CO 0.87 0.06 0.45 -1.60 0.00 0.00 0.00 173.10 172.88 1ss4 s ARG 36 N -3.39 0.47 0.03 2.90 3.52 -1.26 -4.33 118.95 116.89 1ss4 s ARG 36 Ca 0.10 0.76 -0.27 0.00 -0.13 0.00 0.00 55.73 56.19 1ss4 s ARG 36 Cb -0.02 0.09 0.09 0.00 -1.56 0.00 0.00 34.95 33.55 1ss4 s ARG 36 CO -0.00 -0.12 0.75 0.00 -0.81 0.00 0.00 175.30 175.12 1ss4 s ALA 37 N 0.99 -1.74 -0.03 6.12 0.00 0.35 -5.00 121.76 122.45 1ss4 s ALA 37 Ca -0.06 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 1ss4 s ALA 37 Cb -0.06 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1ss4 s ALA 37 CO -0.08 -0.61 0.51 -0.80 0.00 0.00 0.00 175.76 174.77 1ss4 s ASN 38 N -2.16 6.85 -0.22 0.00 0.01 -1.26 -0.01 114.94 118.15 1ss4 s ASN 38 Ca -0.01 1.01 0.02 0.00 -0.71 0.00 0.00 52.86 53.18 1ss4 s ASN 38 Cb -0.01 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.38 1ss4 s ASN 38 CO -0.05 0.14 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.86 1ss4 s VAL 39 N -0.25 1.93 0.00 1.60 1.01 0.15 -4.94 120.40 119.91 1ss4 s VAL 39 Ca 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ss4 s VAL 39 Cb -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1ss4 s VAL 39 CO 0.14 0.19 0.34 -1.84 0.00 0.00 0.00 175.10 173.94 1ss4 n GLU 40 N 4.58 -0.30 -1.75 2.72 0.28 -1.26 -1.74 120.64 123.16 1ss4 n GLU 40 Ca -0.16 -0.38 -0.39 0.00 -0.16 0.00 0.00 57.16 56.07 1ss4 n GLU 40 Cb 0.46 -0.78 0.03 0.00 1.43 0.00 0.00 31.44 32.58 1ss4 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ss4 n GLY 41 N -0.03 0.91 0.33 -1.84 0.00 -1.26 -4.86 105.19 98.44 1ss4 n GLY 41 Ca 0.00 0.11 0.22 0.00 0.00 0.00 0.00 46.02 46.35 1ss4 n GLY 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ss4 h GLU 42 N 1.90 0.00 -0.78 1.61 -0.00 -1.92 -2.81 114.58 112.58 1ss4 h GLU 42 Ca -0.51 0.00 0.08 0.00 -0.00 0.00 0.00 59.36 58.93 1ss4 h GLU 42 Cb 1.29 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.97 1ss4 h GLU 42 CO 0.59 0.00 0.44 0.11 -0.00 0.00 0.00 179.01 180.16 1ss4 h TRP 43 N 0.00 0.81 -0.61 2.06 5.08 -1.95 -2.28 115.95 119.07 1ss4 h TRP 43 Ca -0.00 0.03 0.03 0.00 1.08 0.00 0.00 58.89 60.03 1ss4 h TRP 43 Cb 0.09 -0.25 -0.04 0.00 -3.00 0.00 0.00 29.16 25.96 1ss4 h TRP 43 CO 0.00 0.36 0.37 0.00 -1.28 0.00 0.00 178.44 177.89 1ss4 h ALA 44 N 1.42 0.80 0.00 0.11 0.00 -1.87 -1.25 119.26 118.46 1ss4 h ALA 44 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1ss4 h ALA 44 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ss4 h ALA 44 CO -0.22 0.09 -0.19 0.78 0.00 0.00 0.00 179.25 179.72 1ss4 h GLY 45 N 0.72 0.00 2.00 0.00 0.00 -1.58 -1.85 103.07 102.36 1ss4 h GLY 45 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 1ss4 h GLY 45 CO -0.12 0.00 -0.58 3.21 0.00 0.00 0.00 176.54 179.05 1ss4 h ARG 46 N 0.00 0.00 0.08 4.80 3.08 -0.76 -0.12 114.38 121.46 1ss4 h ARG 46 Ca -0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ss4 h ARG 46 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ss4 h ARG 46 CO 0.02 0.58 -0.04 0.28 -1.07 0.00 0.00 179.97 179.75 1ss4 h VAL 47 N 0.00 1.20 0.00 2.04 2.07 -0.85 -3.29 116.25 117.42 1ss4 h VAL 47 Ca -0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1ss4 h VAL 47 Cb 1.03 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1ss4 h VAL 47 CO 0.08 0.28 -0.06 0.71 0.02 0.00 0.00 177.57 178.59 1ss4 h THR 48 N -0.66 0.13 0.00 2.57 1.35 -1.43 -3.47 112.91 111.40 1ss4 h THR 48 Ca -0.01 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1ss4 h THR 48 Cb 0.54 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1ss4 h THR 48 CO 0.02 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1ss4 n GLY 49 N 0.55 0.79 0.18 5.82 0.00 -0.08 -4.90 105.19 107.55 1ss4 n GLY 49 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1ss4 n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ss4 h LEU 50 N 0.00 0.00 0.00 0.99 3.38 -1.84 -3.49 115.31 114.35 1ss4 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ss4 h LEU 50 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ss4 h LEU 50 CO 0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1ss4 n GLY 51 N 1.15 1.84 3.54 0.83 0.00 -1.04 -4.71 105.19 106.80 1ss4 n GLY 51 Ca 0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 6.32 0.10 1.61 0.15 -1.26 -4.18 113.70 112.44 1ss4 s SER 52 Ca 0.00 -0.96 0.04 0.00 0.70 0.00 0.00 55.95 55.73 1ss4 s SER 52 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1ss4 s SER 52 CO 0.00 -1.64 -0.10 0.00 1.20 0.00 0.00 173.24 172.69 1ss4 s GLN 53 N 5.16 0.88 -0.10 5.44 -2.07 -1.26 -4.01 119.66 123.69 1ss4 s GLN 53 Ca 0.38 -1.19 -0.03 0.00 -1.82 0.00 0.00 55.36 52.70 1ss4 s GLN 53 Cb -0.05 -0.58 0.04 0.00 -1.09 0.00 0.00 33.01 31.33 1ss4 s GLN 53 CO 0.04 0.09 0.08 0.00 -1.32 0.00 0.00 175.29 174.17 1ss4 s VAL 55 N 2.16 0.91 -0.17 0.00 1.01 -0.71 -0.11 120.40 123.49 1ss4 s VAL 55 Ca 0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1ss4 s VAL 55 Cb -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1ss4 s VAL 55 CO -0.06 -0.06 0.08 -0.70 0.00 0.00 0.00 175.10 174.35 1ss4 s GLU 56 N -1.12 3.85 0.07 2.72 2.12 0.42 0.33 118.70 127.09 1ss4 s GLU 56 Ca -0.01 -0.30 0.09 0.00 0.36 0.00 0.00 54.97 55.11 1ss4 s GLU 56 Cb -0.08 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1ss4 s GLU 56 CO 0.01 0.38 -0.26 0.42 -0.54 0.00 0.00 175.26 175.28 1ss4 s ILE 57 N 0.07 2.11 0.19 -3.70 1.01 0.99 -0.81 121.20 121.05 1ss4 s ILE 57 Ca 0.06 -1.46 0.04 0.00 0.00 0.00 0.00 60.65 59.29 1ss4 s ILE 57 Cb -0.12 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1ss4 s ILE 57 CO 0.00 0.27 0.14 0.00 0.00 0.00 0.00 174.94 175.35 1ss4 n ALA 58 N 1.55 0.38 -3.57 9.38 0.00 0.28 -0.50 120.51 128.03 1ss4 n ALA 58 Ca -0.17 -1.08 -0.13 0.00 0.00 0.00 0.00 53.44 52.05 1ss4 n ALA 58 Cb 0.52 0.84 -0.06 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.66 0.00 0.56 0.00 0.11 0.13 -0.28 120.40 118.26 1ss4 s VAL 61 Ca 0.19 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1ss4 s VAL 61 Cb 0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.80 1ss4 s VAL 61 CO 0.14 0.00 1.01 0.42 -3.33 0.00 0.00 175.10 173.33 1ss4 s THR 62 N -0.74 4.59 0.31 5.04 -4.23 -0.04 -0.42 115.64 120.14 1ss4 s THR 62 Ca -0.04 1.07 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1ss4 s THR 62 Cb -0.02 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 70.34 1ss4 s THR 62 CO 0.03 -0.88 1.89 -0.65 -0.54 0.00 0.00 174.62 174.47 1ss4 h PRO 63 N 0.38 0.93 0.00 3.99 0.11 -1.92 0.13 132.00 135.62 1ss4 h PRO 63 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ss4 h PRO 63 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ss4 h PRO 63 CO 0.62 0.61 0.00 -0.40 -0.21 0.00 0.00 178.00 178.62 1ss4 n ASP 64 N -4.53 0.00 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.53 1ss4 n ASP 64 Ca 0.15 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1ss4 n ASP 64 Cb 0.28 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.23 0.47 0.07 6.12 0.00 0.46 -4.88 105.19 107.20 1ss4 n GLY 65 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1ss4 n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ss4 n HIS 66 N -2.34 0.53 -4.32 1.61 8.25 -1.26 -4.91 115.22 112.78 1ss4 n HIS 66 Ca 0.00 0.17 -0.24 0.00 -0.26 0.00 0.00 57.72 57.39 1ss4 n HIS 66 Cb 0.10 -0.86 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 1ss4 n HIS 66 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ss4 s SER 67 N -5.23 2.46 0.02 0.41 0.01 -1.26 -4.96 113.70 105.15 1ss4 s SER 67 Ca -0.05 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1ss4 s SER 67 Cb 0.10 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1ss4 s SER 67 CO 0.84 0.06 -0.03 -0.13 0.41 0.00 0.00 173.24 174.39 1ss4 s ARG 68 N -1.80 0.32 -0.16 12.44 0.52 -1.25 -0.86 118.95 128.16 1ss4 s ARG 68 Ca 0.06 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1ss4 s ARG 68 Cb -0.10 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.45 1ss4 s ARG 68 CO 0.04 -0.04 -0.17 0.42 0.02 0.00 0.00 175.30 175.58 1ss4 s ILE 69 N -1.38 1.77 -0.23 1.52 1.01 -1.26 -2.13 121.20 120.50 1ss4 s ILE 69 Ca -0.15 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1ss4 s ILE 69 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1ss4 s ILE 69 CO -0.01 0.49 0.24 -0.70 0.00 0.00 0.00 174.94 174.97 1ss4 s GLU 70 N 1.35 4.11 -0.16 2.79 2.12 -0.17 -4.75 118.70 123.98 1ss4 s GLU 70 Ca 0.04 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.21 1ss4 s GLU 70 Cb -0.13 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1ss4 s GLU 70 CO -0.10 0.02 0.01 -0.51 -0.54 0.00 0.00 175.26 174.14 1ss4 s LEU 71 N 1.16 3.56 0.01 2.70 1.43 0.62 -0.29 118.68 127.86 1ss4 s LEU 71 Ca 0.12 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1ss4 s LEU 71 Cb -0.14 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ss4 s LEU 71 CO 0.06 0.19 -0.18 -0.44 0.23 0.00 0.00 176.35 176.20 1ss4 s SER 72 N 0.28 2.18 -0.10 2.29 0.01 -0.21 -0.55 113.70 117.60 1ss4 s SER 72 Ca 0.00 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 1ss4 s SER 72 Cb -0.13 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.91 1ss4 s SER 72 CO 0.01 0.18 -0.06 -0.60 0.41 0.00 0.00 173.24 173.18 1ss4 s ARG 73 N -0.76 1.31 -0.05 12.44 3.52 0.01 0.15 118.95 135.57 1ss4 s ARG 73 Ca 0.06 -0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.21 1ss4 s ARG 73 Cb -0.08 -1.40 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 1ss4 s ARG 73 CO 0.00 -0.24 0.88 -0.06 -0.81 0.00 0.00 175.30 175.08 1ss4 s PHE 74 N 1.62 3.59 -0.24 5.12 0.08 -1.26 -0.43 117.98 126.46 1ss4 s PHE 74 Ca 0.02 1.50 -0.15 0.00 0.12 0.00 0.00 56.93 58.42 1ss4 s PHE 74 Cb -0.13 -3.02 -0.16 0.00 -0.57 0.00 0.00 43.02 39.14 1ss4 s PHE 74 CO -0.06 -0.03 -0.06 1.28 -0.10 0.00 0.00 175.22 176.25 1ss4 n LEU 75 N 4.15 2.06 -3.79 -0.37 4.32 0.85 -4.81 117.00 119.40 1ss4 n LEU 75 Ca 0.04 0.32 -0.13 0.00 -0.02 0.00 0.00 56.01 56.22 1ss4 n LEU 75 Cb 0.51 -0.91 -0.11 0.00 -1.62 0.00 0.00 43.42 41.28 1ss4 n LEU 75 CO 0.50 0.51 -0.09 0.42 -1.22 0.00 0.00 177.39 177.51 1ss4 s THR 76 N -2.46 0.01 0.79 -5.08 -4.23 -0.90 -4.31 115.64 99.47 1ss4 s THR 76 Ca -0.33 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 1ss4 s THR 76 Cb 0.10 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.64 1ss4 s THR 76 CO 0.56 -0.04 1.11 -2.16 -0.54 0.00 0.00 174.62 173.56 1ss4 s PRO 77 N -0.03 2.12 0.86 3.99 0.04 -1.26 -0.23 135.00 140.48 1ss4 s PRO 77 Ca -0.02 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.43 1ss4 s PRO 77 Cb -0.02 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1ss4 s PRO 77 CO 0.01 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.32 1ss4 s PRO 78 N -5.25 1.58 0.65 0.56 0.04 -1.26 -4.88 135.00 126.44 1ss4 s PRO 78 Ca 0.61 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1ss4 s PRO 78 Cb -0.13 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ss4 s PRO 78 CO 0.53 -2.05 1.09 0.95 0.04 0.00 0.00 177.00 177.56 1ss4 s THR 79 N -2.92 3.49 0.00 1.26 -4.23 -1.26 -4.96 115.64 107.01 1ss4 s THR 79 Ca 0.63 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1ss4 s THR 79 Cb -0.18 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1ss4 s THR 79 CO 0.57 -0.47 0.47 2.30 -0.54 0.00 0.00 174.62 176.95 1ss4 n ILE 80 N -2.48 0.19 -3.81 2.99 -5.35 -1.26 -5.08 119.36 104.56 1ss4 n ILE 80 Ca 0.09 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1ss4 n ILE 80 Cb 0.52 1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.19 -0.58 -0.16 -1.28 0.00 -1.26 -5.17 121.76 113.12 1ss4 s ALA 81 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1ss4 s ALA 81 Cb 0.00 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1ss4 s ALA 81 CO 0.00 -0.72 0.35 0.34 0.00 0.00 0.00 175.76 175.73 1ss4 s ASP 82 N -2.90 -0.07 -0.11 0.00 2.15 -1.26 -5.00 116.67 109.49 1ss4 s ASP 82 Ca 0.11 0.81 0.15 0.00 0.43 0.00 0.00 52.55 54.05 1ss4 s ASP 82 Cb 0.01 0.99 0.24 0.00 -0.30 0.00 0.00 42.92 43.87 1ss4 s ASP 82 CO -0.03 -0.23 1.13 0.00 -0.17 0.00 0.00 175.17 175.87 1ss4 n HIS 83 N 5.18 0.00 -0.25 -5.34 1.44 -1.26 -4.79 115.22 110.20 1ss4 n HIS 83 Ca -0.10 -0.83 0.04 0.00 -2.01 0.00 0.00 57.72 54.82 1ss4 n HIS 83 Cb 0.50 -0.14 0.28 0.00 0.12 0.00 0.00 29.99 30.76 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 0.06 0.91 -0.65 -1.40 3.08 -1.94 -2.42 114.38 112.01 1ss4 h ARG 84 Ca -0.00 -0.05 -0.37 0.00 0.07 0.00 0.00 59.98 59.62 1ss4 h ARG 84 Cb 1.08 -0.20 -0.22 0.00 0.08 0.00 0.00 29.97 30.71 1ss4 h ARG 84 CO 0.00 0.60 0.17 0.25 -1.07 0.00 0.00 179.97 179.92 1ss4 n THR 85 N -4.48 2.87 -1.72 2.04 -2.24 -1.26 -3.99 114.28 105.50 1ss4 n THR 85 Ca 0.12 -2.70 -0.37 0.00 -2.27 0.00 0.00 64.05 58.84 1ss4 n THR 85 Cb 0.19 -0.54 0.07 0.00 -2.10 0.00 0.00 70.33 67.95 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 -3.37 2.36 0.81 6.98 0.00 -0.91 -4.95 121.76 122.67 1ss4 s ALA 86 Ca 0.51 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 1ss4 s ALA 86 Cb 0.44 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1ss4 s ALA 86 CO 0.03 -1.61 1.12 -1.25 0.00 0.00 0.00 175.76 174.05 1ss4 s PRO 87 N -3.42 1.85 0.20 0.00 0.04 -1.26 -4.91 135.00 127.50 1ss4 s PRO 87 Ca 0.82 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 1ss4 s PRO 87 Cb -0.37 -1.84 0.15 0.00 0.04 0.00 0.00 34.50 32.48 1ss4 s PRO 87 CO 0.40 -1.97 1.86 0.28 0.04 0.00 0.00 177.00 177.60 1ss4 h VAL 88 N -1.29 1.20 -1.11 -0.36 2.07 -1.99 -3.17 116.25 111.60 1ss4 h VAL 88 Ca -0.44 -0.42 -0.75 0.00 0.82 0.00 0.00 66.70 65.91 1ss4 h VAL 88 Cb 1.25 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 31.04 1ss4 h VAL 88 CO 0.48 0.21 2.27 -0.46 0.02 0.00 0.00 177.57 180.09 1ss4 n ASN 89 N -4.53 5.19 -4.03 0.57 6.94 -1.26 -4.87 115.26 113.26 1ss4 n ASN 89 Ca 0.07 -3.06 -0.11 0.00 -0.02 0.00 0.00 54.58 51.46 1ss4 n ASN 89 Cb 0.04 -1.50 -0.11 0.00 -2.36 0.00 0.00 39.78 35.85 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 0.74 0.40 0.26 -2.53 0.00 -1.20 -5.14 121.76 114.28 1ss4 s ALA 90 Ca 0.42 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1ss4 s ALA 90 Cb 0.11 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1ss4 s ALA 90 CO -0.02 -0.09 1.00 -0.51 0.00 0.00 0.00 175.76 176.14 1ss4 s LEU 91 N -1.62 4.59 0.00 0.00 1.43 -1.26 -4.91 118.68 116.91 1ss4 s LEU 91 Ca -0.11 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1ss4 s LEU 91 Cb -0.09 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1ss4 s LEU 91 CO -0.01 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1ss4 n GLY 92 N 1.31 -0.10 3.63 -3.19 0.00 -1.26 -5.03 105.19 100.56 1ss4 n GLY 92 Ca -0.01 -2.28 -0.47 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.53 1.81 -0.02 1.61 4.01 -1.26 -4.92 117.16 117.86 1ss4 n TYR 93 Ca 0.00 0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 58.22 1ss4 n TYR 93 Cb 0.00 -2.39 -0.01 0.00 -0.31 0.00 0.00 39.34 36.62 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 2.25 1.27 -3.50 7.72 7.94 -1.26 -5.09 117.00 126.32 1ss4 n LEU 94 Ca 0.14 0.20 -0.11 0.00 -1.11 0.00 0.00 56.01 55.12 1ss4 n LEU 94 Cb 0.28 -0.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.69 1ss4 n LEU 94 CO 0.62 -0.49 0.59 0.00 -1.11 0.00 0.00 177.39 177.00 1ss4 s ARG 95 N -2.21 0.93 0.00 1.96 1.04 -1.26 -4.64 118.95 114.77 1ss4 s ARG 95 Ca -0.13 -0.15 0.00 0.00 -1.04 0.00 0.00 55.73 54.41 1ss4 s ARG 95 Cb 0.02 0.43 0.00 0.00 -2.04 0.00 0.00 34.95 33.36 1ss4 s ARG 95 CO 0.19 -0.37 0.00 1.33 -0.04 0.00 0.00 175.30 176.41 1ss4 n VAL 96 N 0.13 0.00 -3.64 4.99 0.24 -1.26 -4.92 118.33 113.86 1ss4 n VAL 96 Ca -0.13 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.12 1ss4 n VAL 96 Cb 0.61 -1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 31.89 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 1.76 -0.21 -0.22 6.34 0.08 -0.01 -0.83 117.98 124.90 1ss4 s PHE 98 Ca 0.00 0.51 -0.09 0.00 0.12 0.00 0.00 56.93 57.47 1ss4 s PHE 98 Cb 0.00 0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 42.84 1ss4 s PHE 98 CO 0.00 -0.10 0.12 0.99 -0.10 0.00 0.00 175.22 176.13 1ss4 s THR 99 N 0.09 5.17 0.35 0.64 2.01 -1.26 -0.52 115.64 122.13 1ss4 s THR 99 Ca 0.06 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.25 1ss4 s THR 99 Cb -0.05 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 1ss4 s THR 99 CO -0.12 0.40 -0.07 0.68 -0.69 0.00 0.00 174.62 174.82 1ss4 s VAL 100 N 0.73 2.10 0.01 3.82 -7.23 0.17 -4.92 120.40 115.08 1ss4 s VAL 100 Ca 0.06 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 57.83 1ss4 s VAL 100 Cb -0.13 -2.71 -0.17 0.00 0.56 0.00 0.00 36.38 33.93 1ss4 s VAL 100 CO 0.02 -0.16 1.30 -0.08 -0.31 0.00 0.00 175.10 175.86 1ss4 h GLU 101 N 2.00 -0.25 -3.89 4.82 4.81 -1.98 -3.39 114.58 116.69 1ss4 h GLU 101 Ca -0.42 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.25 1ss4 h GLU 101 Cb 1.25 0.06 -0.39 0.00 0.63 0.00 0.00 28.75 30.29 1ss4 h GLU 101 CO 0.72 0.08 -0.77 0.34 -0.73 0.00 0.00 179.01 178.65 1ss4 s ASP 102 N -5.25 3.61 0.30 1.04 2.15 -1.26 -4.80 116.67 112.46 1ss4 s ASP 102 Ca -0.15 -1.21 0.03 0.00 0.43 0.00 0.00 52.55 51.65 1ss4 s ASP 102 Cb 0.02 -0.92 0.48 0.00 -0.30 0.00 0.00 42.92 42.20 1ss4 s ASP 102 CO 0.59 -0.31 1.77 -0.29 -0.17 0.00 0.00 175.17 176.76 1ss4 h ILE 103 N 6.57 1.25 -0.37 4.11 2.10 -1.89 -3.06 117.51 126.22 1ss4 h ILE 103 Ca -0.16 -1.13 -0.03 0.00 1.08 0.00 0.00 64.86 64.63 1ss4 h ILE 103 Cb 1.07 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 1ss4 h ILE 103 CO 0.41 0.36 0.12 0.44 -1.08 0.00 0.00 178.15 178.40 1ss4 h ASP 104 N 0.43 0.54 0.00 2.19 3.32 -1.99 0.23 116.42 121.13 1ss4 h ASP 104 Ca 0.07 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1ss4 h ASP 104 Cb 0.57 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ss4 h ASP 104 CO 0.04 0.59 0.00 1.21 -1.72 0.00 0.00 179.24 179.36 1ss4 n GLU 105 N -4.63 0.11 0.00 3.56 0.00 -1.16 -0.42 120.64 118.10 1ss4 n GLU 105 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1ss4 n GLU 105 Cb 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.40 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 0.65 0.00 0.17 6.31 0.31 0.79 -0.47 118.33 126.09 1ss4 n VAL 107 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1ss4 n VAL 107 Cb 0.04 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.51 0.03 4.52 0.87 -0.96 -1.40 113.55 116.09 1ss4 h SER 108 Ca 0.00 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1ss4 h SER 108 Cb 0.00 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ss4 h SER 108 CO 0.00 -0.31 -0.08 -0.09 -0.53 0.00 0.00 176.83 175.82 1ss4 h ARG 109 N -0.47 -0.15 -0.64 2.24 2.43 -1.01 -1.36 114.38 115.42 1ss4 h ARG 109 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ss4 h ARG 109 Cb 0.41 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1ss4 h ARG 109 CO -0.01 -0.10 0.39 -0.07 -1.51 0.00 0.00 179.97 178.67 1ss4 h LEU 110 N -0.15 0.77 -1.31 3.80 3.38 -1.78 -1.78 115.31 118.24 1ss4 h LEU 110 Ca 0.02 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1ss4 h LEU 110 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ss4 h LEU 110 CO -0.06 0.60 -0.34 0.71 0.09 0.00 0.00 178.44 179.44 1ss4 h THR 111 N 0.87 1.16 -0.11 0.22 1.35 -1.16 -1.09 112.91 114.15 1ss4 h THR 111 Ca 0.23 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1ss4 h THR 111 Cb -0.03 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1ss4 h THR 111 CO -0.04 0.33 -0.10 0.50 -0.25 0.00 0.00 175.52 175.96 1ss4 h LYS 112 N 0.00 0.17 -0.58 4.72 1.63 -0.38 -1.57 116.57 120.56 1ss4 h LYS 112 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ss4 h LYS 112 Cb 0.64 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1ss4 h LYS 112 CO 0.04 0.28 0.00 0.72 -3.45 0.00 0.00 179.45 177.04 1ss4 n HIS 113 N -4.33 0.92 0.00 1.91 8.25 -0.57 -4.90 115.22 116.49 1ss4 n HIS 113 Ca -0.01 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1ss4 n HIS 113 Cb 0.23 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 0.88 0.61 3.86 -1.41 0.00 -0.59 -5.07 105.19 103.48 1ss4 n GLY 114 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.11 -0.07 4.61 0.00 -0.52 -4.97 121.76 121.92 1ss4 s ALA 115 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1ss4 s ALA 115 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1ss4 s ALA 115 CO 0.00 -0.48 -0.12 -1.83 0.00 0.00 0.00 175.76 173.33 1ss4 s GLU 116 N -4.69 1.69 0.08 0.00 -1.05 -0.33 -4.13 118.70 110.26 1ss4 s GLU 116 Ca 0.56 -0.40 -0.31 0.00 -0.15 0.00 0.00 54.97 54.67 1ss4 s GLU 116 Cb -0.11 -1.41 -0.08 0.00 -0.44 0.00 0.00 34.13 32.10 1ss4 s GLU 116 CO 0.44 0.01 1.53 -1.17 0.95 0.00 0.00 175.26 177.02 1ss4 s LEU 117 N 0.71 4.36 0.02 1.83 2.96 -1.26 -0.66 118.68 126.64 1ss4 s LEU 117 Ca -0.14 2.39 -0.19 0.00 -0.22 0.00 0.00 54.13 55.97 1ss4 s LEU 117 Cb -0.16 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.76 1ss4 s LEU 117 CO 0.03 -0.79 1.17 0.58 -1.32 0.00 0.00 176.35 176.02 1ss4 h VAL 118 N 4.59 1.40 0.00 1.68 2.07 -1.10 -3.47 116.25 121.42 1ss4 h VAL 118 Ca -0.41 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1ss4 h VAL 118 Cb 1.20 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1ss4 h VAL 118 CO 0.91 0.56 0.00 0.61 0.02 0.00 0.00 177.57 179.66 1ss4 n GLY 119 N 0.83 3.50 3.52 2.17 0.00 -1.26 -5.06 105.19 108.90 1ss4 n GLY 119 Ca -0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1ss4 n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ss4 s GLU 120 N 3.41 1.81 -0.51 1.61 2.02 -1.26 -4.99 118.70 120.79 1ss4 s GLU 120 Ca 0.00 -1.79 -0.26 0.00 0.02 0.00 0.00 54.97 52.94 1ss4 s GLU 120 Cb 0.00 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.46 1ss4 s GLU 120 CO 0.00 0.26 1.02 0.08 0.02 0.00 0.00 175.26 176.64 1ss4 s VAL 121 N -2.52 4.32 0.03 2.63 1.01 -1.26 -4.52 120.40 120.09 1ss4 s VAL 121 Ca 0.31 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.05 1ss4 s VAL 121 Cb -0.02 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1ss4 s VAL 121 CO 0.16 -1.03 0.11 -0.69 0.00 0.00 0.00 175.10 173.65 1ss4 s VAL 122 N 4.16 4.82 -0.25 2.92 1.01 0.51 -4.85 120.40 128.72 1ss4 s VAL 122 Ca 0.39 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1ss4 s VAL 122 Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1ss4 s VAL 122 CO 0.26 0.24 0.13 -1.58 0.00 0.00 0.00 175.10 174.14 1ss4 s GLN 123 N -2.11 3.88 -0.56 2.72 0.74 -1.26 0.26 119.66 123.33 1ss4 s GLN 123 Ca 0.27 -0.36 -0.18 0.00 0.05 0.00 0.00 55.36 55.14 1ss4 s GLN 123 Cb -0.12 -3.47 0.10 0.00 1.10 0.00 0.00 33.01 30.62 1ss4 s GLN 123 CO 0.19 -0.07 0.63 -0.47 -0.55 0.00 0.00 175.29 175.03 1ss4 s TYR 124 N 1.38 3.07 0.00 1.67 5.04 0.14 -4.95 117.35 123.69 1ss4 s TYR 124 Ca 0.06 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.70 1ss4 s TYR 124 Cb -0.15 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1ss4 s TYR 124 CO 0.06 -1.18 0.00 0.39 -1.34 0.00 0.00 175.55 173.48 1ss4 n GLU 125 N 6.01 0.00 -0.31 4.97 1.02 -1.26 -2.38 120.64 128.68 1ss4 n GLU 125 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1ss4 n GLU 125 Cb 0.42 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.02 1ss4 n GLU 125 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ss4 n ASN 126 N 4.43 2.38 -0.02 1.62 5.03 -1.26 -4.74 115.26 122.70 1ss4 n ASN 126 Ca 0.00 -3.35 -0.03 0.00 0.87 0.00 0.00 54.58 52.07 1ss4 n ASN 126 Cb 0.00 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.25 1ss4 n ASN 126 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ss4 n SER 127 N -1.22 3.84 -4.15 6.41 3.41 -1.00 -4.70 113.62 116.21 1ss4 n SER 127 Ca 0.19 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1ss4 n SER 127 Cb 0.72 0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 1ss4 n SER 127 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ss4 s TYR 128 N -2.10 0.81 -0.03 7.33 2.02 -1.14 -1.28 117.35 122.98 1ss4 s TYR 128 Ca -0.04 -1.07 0.01 0.00 -0.37 0.00 0.00 57.07 55.59 1ss4 s TYR 128 Cb 0.01 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 1ss4 s TYR 128 CO 0.14 -0.34 -0.01 1.03 -1.57 0.00 0.00 175.55 174.80 1ss4 s ARG 129 N -3.94 0.31 0.20 -0.62 0.52 -0.97 0.25 118.95 114.71 1ss4 s ARG 129 Ca 0.16 0.04 -0.16 0.00 -0.52 0.00 0.00 55.73 55.25 1ss4 s ARG 129 Cb 0.07 -0.46 0.02 0.00 0.52 0.00 0.00 34.95 35.10 1ss4 s ARG 129 CO -0.03 -0.10 0.49 -0.48 0.02 0.00 0.00 175.30 175.19 1ss4 s LEU 130 N 0.85 0.22 0.27 2.53 2.34 0.14 -1.09 118.68 123.95 1ss4 s LEU 130 Ca -0.09 -0.58 -0.19 0.00 0.06 0.00 0.00 54.13 53.34 1ss4 s LEU 130 Cb -0.12 1.99 0.01 0.00 -0.56 0.00 0.00 46.19 47.52 1ss4 s LEU 130 CO -0.01 -1.04 0.66 0.00 -1.06 0.00 0.00 176.35 174.89 1ss4 s TYR 132 N -3.90 2.64 0.01 0.00 4.12 -1.26 -1.31 117.35 117.65 1ss4 s TYR 132 Ca 0.14 -0.27 0.03 0.00 0.02 0.00 0.00 57.07 57.00 1ss4 s TYR 132 Cb -0.05 -1.63 -0.01 0.00 -1.52 0.00 0.00 41.96 38.76 1ss4 s TYR 132 CO 0.08 0.10 -0.10 0.42 0.02 0.00 0.00 175.55 176.07 1ss4 s ILE 133 N -0.59 0.79 -0.42 2.71 -1.09 -0.11 -0.43 121.20 122.06 1ss4 s ILE 133 Ca 0.09 -0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 57.74 1ss4 s ILE 133 Cb -0.11 -0.69 0.02 0.00 -1.58 0.00 0.00 42.46 40.10 1ss4 s ILE 133 CO 0.01 0.11 0.49 -0.13 -1.23 0.00 0.00 174.94 174.20 1ss4 s ARG 134 N -0.53 3.15 0.00 2.79 1.81 0.17 -1.00 118.95 125.34 1ss4 s ARG 134 Ca 0.02 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1ss4 s ARG 134 Cb -0.05 -3.96 0.00 0.00 -0.45 0.00 0.00 34.95 30.49 1ss4 s ARG 134 CO 0.00 -0.89 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 1ss4 n GLY 135 N 5.09 1.55 3.63 -3.53 0.00 0.29 -1.19 105.19 111.02 1ss4 n GLY 135 Ca -0.06 -1.47 -0.51 0.00 0.00 0.00 0.00 46.02 43.99 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 0.07 -2.96 1.61 3.14 -1.26 -0.96 118.33 117.97 1ss4 n VAL 136 Ca 0.00 -0.01 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 1ss4 n VAL 136 Cb 0.00 -1.15 0.01 0.00 -1.06 0.00 0.00 33.84 31.64 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 3.36 -3.38 -0.87 1.45 1.02 -1.26 -1.59 120.64 119.37 1ss4 n GLU 137 Ca 0.19 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1ss4 n GLU 137 Cb 0.22 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 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 -1.16 0.43 3.71 0.62 0.00 -0.13 -4.68 105.19 103.98 1ss4 n GLY 138 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.18 2.41 -0.03 -0.61 1.01 -0.62 -4.42 121.20 116.76 1ss4 s ILE 139 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1ss4 s ILE 139 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1ss4 s ILE 139 CO 0.00 0.01 1.29 -0.22 0.00 0.00 0.00 174.94 176.02 1ss4 s LEU 140 N 1.74 4.30 0.08 2.97 2.96 -1.26 -0.55 118.68 128.92 1ss4 s LEU 140 Ca 0.75 1.95 0.05 0.00 -0.22 0.00 0.00 54.13 56.67 1ss4 s LEU 140 Cb -0.46 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.64 1ss4 s LEU 140 CO 0.33 -0.65 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.94 1ss4 s ILE 141 N 2.29 1.14 0.01 6.68 -1.09 -0.17 -4.05 121.20 126.01 1ss4 s ILE 141 Ca 0.59 -1.36 0.05 0.00 -2.23 0.00 0.00 60.65 57.70 1ss4 s ILE 141 Cb -0.28 -1.13 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1ss4 s ILE 141 CO 0.24 -0.25 -0.12 -0.83 -1.23 0.00 0.00 174.94 172.75 1ss4 s GLY 142 N -1.83 1.65 0.00 6.18 0.00 -0.01 -0.93 107.32 112.37 1ss4 s GLY 142 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.68 1ss4 s GLY 142 CO 0.02 -0.94 -0.13 1.08 0.00 0.00 0.00 173.10 173.14 1ss4 s LEU 143 N -1.31 2.06 0.01 0.66 1.43 -0.43 -0.83 118.68 120.28 1ss4 s LEU 143 Ca 0.15 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1ss4 s LEU 143 Cb -0.11 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1ss4 s LEU 143 CO 0.05 0.12 0.15 0.00 0.23 0.00 0.00 176.35 176.91 1ss4 s ALA 144 N -0.43 -0.32 -0.06 4.21 0.00 0.33 -1.67 121.76 123.82 1ss4 s ALA 144 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1ss4 s ALA 144 Cb -0.06 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1ss4 s ALA 144 CO -0.00 -0.26 -0.11 -2.00 0.00 0.00 0.00 175.76 173.40 1ss4 s GLU 145 N -1.79 1.52 0.21 0.00 2.12 -0.25 0.44 118.70 120.95 1ss4 s GLU 145 Ca -0.11 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1ss4 s GLU 145 Cb -0.05 -1.28 -0.08 0.00 0.26 0.00 0.00 34.13 32.97 1ss4 s GLU 145 CO -0.00 0.01 0.94 -2.00 -0.54 0.00 0.00 175.26 173.67 1ss4 s GLU 146 N 0.71 4.82 -0.11 4.30 2.12 -1.26 -2.29 118.70 126.99 1ss4 s GLU 146 Ca -0.14 1.48 -0.04 0.00 0.36 0.00 0.00 54.97 56.63 1ss4 s GLU 146 Cb -0.16 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1ss4 s GLU 146 CO 0.03 0.46 0.02 -0.51 -0.54 0.00 0.00 175.26 174.72 1ss4 s LEU 147 N -0.93 3.67 0.00 2.70 1.43 -0.40 -4.99 118.68 120.15 1ss4 s LEU 147 Ca 0.42 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1ss4 s LEU 147 Cb -0.25 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1ss4 s LEU 147 CO 0.31 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.83