#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 s SER 2 N 0.00 6.34 0.95 1.61 0.01 -1.26 -5.04 113.70 116.32 1x48 s SER 2 Ca 0.00 -0.37 -0.12 0.00 1.31 0.00 0.00 55.95 56.76 1x48 s SER 2 Cb 0.00 -2.41 0.16 0.00 0.21 0.00 0.00 66.02 63.98 1x48 s SER 2 CO 0.00 -1.12 1.11 -0.94 0.41 0.00 0.00 173.24 172.70 1x48 s SER 3 N 2.69 3.10 -0.18 2.44 1.04 -1.26 -4.59 113.70 116.94 1x48 s SER 3 Ca 0.28 1.09 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 1x48 s SER 3 Cb -0.13 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1x48 s SER 3 CO 0.19 -2.82 0.07 0.61 0.98 0.00 0.00 173.24 172.27 1x48 n GLY 4 N -1.65 -1.86 3.15 7.32 0.00 -1.26 -4.94 105.19 105.94 1x48 n GLY 4 Ca 0.06 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x48 s SER 5 N -1.37 5.41 0.27 1.61 0.15 -1.26 -4.97 113.70 113.54 1x48 s SER 5 Ca 0.04 -2.13 -0.07 0.00 0.70 0.00 0.00 55.95 54.48 1x48 s SER 5 Cb -0.01 -1.89 0.48 0.00 -1.71 0.00 0.00 66.02 62.89 1x48 s SER 5 CO 0.42 -0.56 1.58 -1.28 1.20 0.00 0.00 173.24 174.60 1x48 h SER 6 N 8.01 -0.72 0.00 5.45 0.87 -1.99 -3.44 113.55 121.74 1x48 h SER 6 Ca -0.13 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1x48 h SER 6 Cb 1.04 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1x48 h SER 6 CO 0.75 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.36 1x48 n GLY 7 N -1.55 2.75 0.08 5.77 0.00 -1.26 -5.02 105.19 105.96 1x48 n GLY 7 Ca 0.16 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 1x48 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x48 h TYR 8 N 0.00 0.06 -0.68 1.61 -1.99 -1.96 -3.30 116.97 110.70 1x48 h TYR 8 Ca 0.00 -0.04 0.26 0.00 2.00 0.00 0.00 58.73 60.95 1x48 h TYR 8 Cb 0.00 -0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.60 1x48 h TYR 8 CO 0.00 0.95 0.27 -0.89 -0.00 0.00 0.00 178.16 178.49 1x48 n ILE 9 N -3.47 -0.29 -0.02 -2.88 2.08 -1.26 0.21 119.36 113.73 1x48 n ILE 9 Ca -0.01 1.41 -0.03 0.00 0.56 0.00 0.00 62.75 64.68 1x48 n ILE 9 Cb 0.88 -2.23 -0.12 0.00 -0.75 0.00 0.00 39.64 37.41 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.22 -1.09 0.38 7.39 0.00 -1.25 -4.35 105.19 105.05 1x48 n GLY 10 Ca 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1x48 n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x48 h LEU 11 N 0.00 -1.42 0.31 0.99 3.38 0.24 -1.67 115.31 117.14 1x48 h LEU 11 Ca -0.27 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x48 h LEU 11 Cb 1.78 0.67 -0.03 0.00 0.09 0.00 0.00 40.66 43.17 1x48 h LEU 11 CO 0.04 -0.32 -0.42 0.58 0.09 0.00 0.00 178.44 178.42 1x48 h VAL 12 N -0.18 0.16 -0.41 1.22 2.07 -1.71 0.27 116.25 117.67 1x48 h VAL 12 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1x48 h VAL 12 Cb 0.56 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1x48 h VAL 12 CO -0.73 0.00 -0.24 0.59 0.02 0.00 0.00 177.57 177.21 1x48 n ASN 13 N -5.49 -0.43 -0.12 0.57 3.02 -0.66 -0.11 115.26 112.03 1x48 n ASN 13 Ca -0.09 1.04 -0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1x48 n ASN 13 Cb 0.40 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1x48 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x48 h SER 14 N 0.00 0.58 -0.02 6.41 0.02 -1.36 -3.28 113.55 115.90 1x48 h SER 14 Ca 0.07 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1x48 h SER 14 Cb 0.17 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1x48 h SER 14 CO -0.39 0.72 -0.03 0.15 -1.14 0.00 0.00 176.83 176.15 1x48 h PHE 15 N 0.42 -0.08 -0.74 3.45 3.57 0.31 -1.12 116.94 122.75 1x48 h PHE 15 Ca 0.10 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.74 1x48 h PHE 15 Cb 0.40 0.04 -0.13 0.00 2.79 0.00 0.00 35.95 39.05 1x48 h PHE 15 CO 0.03 -0.02 -0.22 0.00 -2.23 0.00 0.00 178.31 175.86 1x48 n ALA 16 N -2.78 0.07 -0.02 2.41 0.00 0.25 0.94 120.51 121.37 1x48 n ALA 16 Ca -0.00 0.78 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 1x48 n ALA 16 Cb 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1x48 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x48 h GLN 17 N 0.00 -0.24 -0.96 0.00 5.75 -1.29 0.20 115.11 118.57 1x48 h GLN 17 Ca 0.32 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.98 1x48 h GLN 17 Cb 0.50 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.02 1x48 h GLN 17 CO -0.75 -0.16 0.61 0.87 -2.65 0.00 0.00 178.83 176.75 1x48 h LYS 18 N -0.25 0.79 -0.70 1.69 6.56 0.13 0.38 116.57 125.17 1x48 h LYS 18 Ca 0.12 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1x48 h LYS 18 Cb 0.43 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1x48 h LYS 18 CO -0.33 0.52 0.00 1.63 -2.06 0.00 0.00 179.45 179.21 1x48 n LYS 19 N -4.62 3.02 -4.01 3.15 5.02 -0.39 -4.89 118.16 115.44 1x48 n LYS 19 Ca 0.19 -1.77 -0.32 0.00 -2.02 0.00 0.00 58.31 54.39 1x48 n LYS 19 Cb 0.45 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x48 n LYS 20 N 0.43 -1.78 -2.83 1.97 5.02 0.13 -2.92 118.16 118.18 1x48 n LYS 20 Ca 0.16 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.43 1x48 n LYS 20 Cb 0.72 -4.79 0.07 0.00 -0.02 0.00 0.00 35.03 31.00 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x48 s LEU 21 N -6.78 3.16 -0.17 -0.35 1.43 0.53 -0.15 118.68 116.34 1x48 s LEU 21 Ca 0.63 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1x48 s LEU 21 Cb -0.36 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1x48 s LEU 21 CO 0.77 -1.42 -0.14 -0.44 0.23 0.00 0.00 176.35 175.36 1x48 s SER 22 N -4.62 3.70 -0.17 2.29 0.01 -1.26 -4.54 113.70 109.12 1x48 s SER 22 Ca 0.62 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 1x48 s SER 22 Cb -0.07 -1.59 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 1x48 s SER 22 CO 0.40 0.05 -0.09 0.54 0.41 0.00 0.00 173.24 174.54 1x48 s VAL 23 N 1.05 3.21 0.18 3.43 0.11 -1.26 -2.78 120.40 124.34 1x48 s VAL 23 Ca -0.01 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.56 1x48 s VAL 23 Cb -0.15 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1x48 s VAL 23 CO -0.03 0.49 -0.20 0.20 -3.33 0.00 0.00 175.10 172.23 1x48 s ASN 24 N 0.78 2.89 -0.27 3.54 0.01 0.37 -5.00 114.94 117.26 1x48 s ASN 24 Ca -0.04 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 1x48 s ASN 24 Cb -0.15 -0.19 0.08 0.00 0.41 0.00 0.00 41.25 41.40 1x48 s ASN 24 CO 0.01 0.00 0.02 -0.31 -1.51 0.00 0.00 177.10 175.31 1x48 s TYR 25 N -2.00 2.28 0.12 2.20 1.51 -1.26 -1.12 117.35 119.09 1x48 s TYR 25 Ca 0.18 -1.87 -0.23 0.00 -1.01 0.00 0.00 57.07 54.14 1x48 s TYR 25 Cb -0.06 -1.79 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 1x48 s TYR 25 CO 0.08 -0.82 0.69 -2.00 -1.11 0.00 0.00 175.55 172.39 1x48 s GLU 26 N 1.42 4.41 0.15 -0.62 2.12 -0.28 -4.83 118.70 121.08 1x48 s GLU 26 Ca 0.02 0.98 0.10 0.00 0.36 0.00 0.00 54.97 56.43 1x48 s GLU 26 Cb -0.18 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1x48 s GLU 26 CO -0.12 0.57 -0.21 -0.65 -0.54 0.00 0.00 175.26 174.31 1x48 s GLN 27 N -1.02 1.63 0.71 4.30 1.11 -1.26 -0.46 119.66 124.68 1x48 s GLN 27 Ca 0.33 -1.34 -0.17 0.00 0.01 0.00 0.00 55.36 54.20 1x48 s GLN 27 Cb -0.21 -1.98 -0.07 0.00 -1.01 0.00 0.00 33.01 29.73 1x48 s GLN 27 CO 0.23 0.44 0.24 0.00 0.01 0.00 0.00 175.29 176.21 1x48 s GLU 29 N -2.33 3.73 -0.13 0.00 8.01 -1.26 -5.03 118.70 121.69 1x48 s GLU 29 Ca 0.61 0.23 -0.29 0.00 0.01 0.00 0.00 54.97 55.53 1x48 s GLU 29 Cb -0.36 -2.55 -0.04 0.00 -4.31 0.00 0.00 34.13 26.87 1x48 s GLU 29 CO 0.63 0.15 1.55 -1.25 0.01 0.00 0.00 175.26 176.34 1x48 s PRO 30 N -3.50 4.07 -0.28 0.39 0.04 -1.26 -4.98 135.00 129.48 1x48 s PRO 30 Ca 0.47 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 1x48 s PRO 30 Cb -0.11 -3.95 0.10 0.00 0.04 0.00 0.00 34.50 30.58 1x48 s PRO 30 CO 0.28 -0.96 0.81 1.21 0.04 0.00 0.00 177.00 178.38 1x48 s ASN 31 N 3.31 -0.75 -0.97 6.66 3.84 -1.26 -5.09 114.94 120.68 1x48 s ASN 31 Ca 0.68 1.25 -0.24 0.00 0.21 0.00 0.00 52.86 54.77 1x48 s ASN 31 Cb -0.28 1.30 -0.04 0.00 -0.55 0.00 0.00 41.25 41.68 1x48 s ASN 31 CO 0.26 -0.20 1.88 -0.44 -2.79 0.00 0.00 177.10 175.81 1x48 s SER 32 N 1.27 5.32 0.03 -4.21 0.01 -1.26 -4.87 113.70 109.99 1x48 s SER 32 Ca -0.07 -0.96 -0.22 0.00 1.31 0.00 0.00 55.95 56.01 1x48 s SER 32 Cb -0.05 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1x48 s SER 32 CO -0.15 -2.62 0.49 -0.70 0.41 0.00 0.00 173.24 170.68 1x48 s GLU 33 N 6.63 0.98 0.19 12.44 2.56 -1.26 -5.18 118.70 135.07 1x48 s GLU 33 Ca 0.67 -0.22 0.11 0.00 0.00 0.00 0.00 54.97 55.53 1x48 s GLU 33 Cb -0.05 0.45 -0.04 0.00 2.00 0.00 0.00 34.13 36.49 1x48 s GLU 33 CO 0.01 -0.34 -0.23 -0.51 -0.56 0.00 0.00 175.26 173.62 1x48 s LEU 34 N -1.86 2.47 0.90 2.70 1.02 -1.26 -4.08 118.68 118.56 1x48 s LEU 34 Ca -0.06 -0.85 -0.12 0.00 0.02 0.00 0.00 54.13 53.12 1x48 s LEU 34 Cb -0.01 -1.20 0.13 0.00 0.02 0.00 0.00 46.19 45.14 1x48 s LEU 34 CO -0.00 0.12 1.09 -2.16 0.02 0.00 0.00 176.35 175.42 1x48 s PRO 35 N -2.69 1.19 -0.50 1.29 0.04 -1.26 -5.13 135.00 127.95 1x48 s PRO 35 Ca 0.21 0.79 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1x48 s PRO 35 Cb -0.08 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.79 1x48 s PRO 35 CO 0.10 -2.28 0.25 -1.14 0.04 0.00 0.00 177.00 173.97 1x48 s GLN 36 N -4.94 2.01 0.38 4.56 2.00 -1.26 -5.08 119.66 117.34 1x48 s GLN 36 Ca 0.64 -2.37 0.04 0.00 -2.00 0.00 0.00 55.36 51.66 1x48 s GLN 36 Cb -0.18 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.17 1x48 s GLN 36 CO 0.57 -1.09 0.08 -0.98 -0.50 0.00 0.00 175.29 173.37 1x48 s ARG 37 N 0.15 1.82 -0.09 1.67 1.70 -1.26 -5.06 118.95 117.87 1x48 s ARG 37 Ca 0.15 -2.07 -0.17 0.00 -0.47 0.00 0.00 55.73 53.17 1x48 s ARG 37 Cb -0.23 -0.87 -0.05 0.00 -0.57 0.00 0.00 34.95 33.23 1x48 s ARG 37 CO -0.03 -0.31 0.45 -0.06 -1.08 0.00 0.00 175.30 174.28 1x48 s PHE 38 N -3.20 3.56 -0.12 5.89 0.40 -0.22 -4.97 117.98 119.31 1x48 s PHE 38 Ca 0.29 0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 57.49 1x48 s PHE 38 Cb 0.06 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 41.14 1x48 s PHE 38 CO 0.14 0.27 -0.00 0.42 0.70 0.00 0.00 175.22 176.75 1x48 s ILE 39 N 0.25 0.54 0.05 0.64 1.09 -1.26 -0.76 121.20 121.76 1x48 s ILE 39 Ca 0.25 -0.17 0.03 0.00 -1.10 0.00 0.00 60.65 59.65 1x48 s ILE 39 Cb -0.15 -0.79 -0.04 0.00 -1.06 0.00 0.00 42.46 40.42 1x48 s ILE 39 CO 0.11 0.12 0.03 0.00 -0.10 0.00 0.00 174.94 175.10 1x48 s LYS 41 N -2.06 0.95 -0.42 0.00 1.02 0.40 0.32 119.74 119.94 1x48 s LYS 41 Ca 0.25 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.58 1x48 s LYS 41 Cb -0.12 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1x48 s LYS 41 CO 0.17 -0.50 1.08 0.00 -0.92 0.00 0.00 175.35 175.18 1x48 s LYS 43 N 4.09 2.54 -0.32 0.00 1.02 -0.27 -1.90 119.74 124.89 1x48 s LYS 43 Ca 0.45 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 1x48 s LYS 43 Cb -0.09 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1x48 s LYS 43 CO 0.26 0.05 0.04 0.42 -0.92 0.00 0.00 175.35 175.20 1x48 s ILE 44 N 0.67 3.05 -0.70 2.17 1.01 0.25 -0.48 121.20 127.17 1x48 s ILE 44 Ca -0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 1x48 s ILE 44 Cb -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1x48 s ILE 44 CO 0.03 -0.23 0.59 0.61 0.00 0.00 0.00 174.94 175.94 1x48 n GLY 45 N 4.61 0.01 2.43 6.18 0.00 -1.12 -2.84 105.19 114.46 1x48 n GLY 45 Ca -0.11 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1x48 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x48 n GLN 46 N -2.84 -1.33 -4.91 1.61 6.02 -1.26 -4.98 117.38 109.69 1x48 n GLN 46 Ca -0.13 1.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.59 1x48 n GLN 46 Cb 0.58 -5.37 -0.16 0.00 1.02 0.00 0.00 30.24 26.31 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1x48 s THR 47 N -2.78 1.53 -0.16 5.09 2.01 -1.13 -5.11 115.64 115.09 1x48 s THR 47 Ca 0.00 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1x48 s THR 47 Cb 0.00 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1x48 s THR 47 CO 0.00 0.44 1.02 -0.04 -0.69 0.00 0.00 174.62 175.35 1x48 s MET 48 N 0.01 4.34 -0.01 4.92 -1.94 -1.26 -0.58 119.30 124.78 1x48 s MET 48 Ca -0.04 1.37 0.02 0.00 -1.71 0.00 0.00 55.69 55.33 1x48 s MET 48 Cb -0.12 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 1x48 s MET 48 CO 0.02 -0.46 0.03 0.66 -0.01 0.00 0.00 175.02 175.26 1x48 n TYR 49 N 5.62 0.00 -3.56 -0.03 4.01 -0.80 -4.96 117.16 117.45 1x48 n TYR 49 Ca 0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.76 1x48 n TYR 49 Cb 0.47 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.40 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x48 s GLY 50 N -2.69 -0.33 -0.22 2.72 0.00 -1.02 -2.60 107.32 103.19 1x48 s GLY 50 Ca -0.01 1.64 -0.04 0.00 0.00 0.00 0.00 44.72 46.31 1x48 s GLY 50 CO 0.08 0.71 0.15 -1.59 0.00 0.00 0.00 173.10 172.46 1x48 s THR 51 N -2.01 -0.18 0.07 0.90 2.01 -1.26 0.00 115.64 115.18 1x48 s THR 51 Ca 0.03 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1x48 s THR 51 Cb -0.01 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1x48 s THR 51 CO -0.03 -0.37 0.36 -0.83 -0.69 0.00 0.00 174.62 173.05 1x48 s GLY 52 N 2.20 2.29 -0.04 4.40 0.00 0.15 -4.73 107.32 111.59 1x48 s GLY 52 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 1x48 s GLY 52 CO -0.18 -0.29 0.04 -1.35 0.00 0.00 0.00 173.10 171.31 1x48 s SER 53 N -1.90 1.01 0.25 1.64 1.04 -1.26 -0.26 113.70 114.23 1x48 s SER 53 Ca 0.33 0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.59 1x48 s SER 53 Cb -0.13 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.80 1x48 s SER 53 CO 0.19 -0.20 0.65 -0.83 0.98 0.00 0.00 173.24 174.03 1x48 s GLY 54 N 1.83 -0.07 0.23 7.32 0.00 0.06 -4.70 107.32 111.99 1x48 s GLY 54 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.38 1x48 s GLY 54 CO -0.03 -0.15 1.88 -0.39 0.00 0.00 0.00 173.10 174.41 1x48 h VAL 55 N 2.05 1.14 -3.83 1.40 -1.51 -1.96 -0.57 116.25 112.99 1x48 h VAL 55 Ca -0.23 -0.36 -0.68 0.00 -1.23 0.00 0.00 66.70 64.20 1x48 h VAL 55 Cb 1.26 -0.01 -0.26 0.00 -2.13 0.00 0.00 31.29 30.15 1x48 h VAL 55 CO 0.28 0.19 -0.79 -0.89 -1.23 0.00 0.00 177.57 175.14 1x48 s THR 56 N -6.10 2.91 0.11 7.19 2.01 -1.26 -3.51 115.64 116.98 1x48 s THR 56 Ca -0.13 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 60.91 1x48 s THR 56 Cb 0.17 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1x48 s THR 56 CO 0.79 0.57 1.26 1.17 -0.69 0.00 0.00 174.62 177.72 1x48 n LYS 57 N 2.76 -0.29 -0.25 4.92 4.81 -1.26 0.53 118.16 129.38 1x48 n LYS 57 Ca -0.17 1.24 0.14 0.00 -0.87 0.00 0.00 58.31 58.65 1x48 n LYS 57 Cb 0.52 -1.83 0.27 0.00 0.02 0.00 0.00 35.03 34.01 1x48 n LYS 57 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1x48 n GLN 58 N -4.53 -0.05 0.25 1.64 7.27 -1.26 0.11 117.38 120.80 1x48 n GLN 58 Ca 0.01 1.08 -0.16 0.00 0.07 0.00 0.00 57.00 58.00 1x48 n GLN 58 Cb 0.17 -1.76 -0.08 0.00 2.41 0.00 0.00 30.24 30.98 1x48 n GLN 58 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1x48 h GLU 59 N 0.00 -0.60 0.44 3.69 4.81 -0.29 -1.92 114.58 120.71 1x48 h GLU 59 Ca 0.49 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1x48 h GLU 59 Cb 1.10 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1x48 h GLU 59 CO -0.66 -0.40 -0.21 0.00 -0.73 0.00 0.00 179.01 177.01 1x48 h ALA 60 N -0.06 -0.63 -1.14 2.92 0.00 0.92 -2.24 119.26 119.03 1x48 h ALA 60 Ca -0.05 -0.13 0.33 0.00 0.00 0.00 0.00 54.91 55.06 1x48 h ALA 60 Cb 0.50 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1x48 h ALA 60 CO 0.06 -0.58 1.17 -0.22 0.00 0.00 0.00 179.25 179.68 1x48 h LYS 61 N -1.08 0.00 0.00 0.00 3.11 0.14 -0.16 116.57 118.58 1x48 h LYS 61 Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1x48 h LYS 61 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1x48 h LYS 61 CO 0.10 0.00 -0.05 1.96 -2.81 0.00 0.00 179.45 178.65 1x48 h GLN 62 N 0.00 0.00 -0.92 1.90 4.20 -1.29 -3.38 115.11 115.62 1x48 h GLN 62 Ca 0.54 0.00 0.23 0.00 0.06 0.00 0.00 58.65 59.49 1x48 h GLN 62 Cb 2.89 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 30.50 1x48 h GLN 62 CO -0.01 0.00 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.07 1x48 h LEU 63 N -0.27 -0.49 -0.33 1.46 3.38 -0.60 -1.65 115.31 116.80 1x48 h LEU 63 Ca 0.00 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1x48 h LEU 63 Cb 0.05 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1x48 h LEU 63 CO 0.00 -0.30 -0.20 0.00 0.09 0.00 0.00 178.44 178.04 1x48 n ALA 64 N -3.14 -0.21 -0.23 1.53 0.00 -0.19 -0.17 120.51 118.09 1x48 n ALA 64 Ca 0.19 0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 1x48 n ALA 64 Cb 0.64 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 1x48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x48 h ALA 65 N -0.24 -0.22 -0.73 0.00 0.00 -1.47 -1.42 119.26 115.17 1x48 h ALA 65 Ca 0.05 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1x48 h ALA 65 Cb 0.14 0.95 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1x48 h ALA 65 CO -0.31 -0.78 -0.41 1.17 0.00 0.00 0.00 179.25 178.91 1x48 n LYS 66 N -5.41 -0.30 -0.19 0.00 4.81 0.76 0.23 118.16 118.05 1x48 n LYS 66 Ca 0.03 1.10 0.02 0.00 -0.87 0.00 0.00 58.31 58.59 1x48 n LYS 66 Cb 0.35 -1.62 0.28 0.00 0.02 0.00 0.00 35.03 34.05 1x48 n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x48 h GLU 67 N 0.00 0.91 0.63 1.64 3.07 -1.06 -2.98 114.58 116.80 1x48 h GLU 67 Ca 0.13 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1x48 h GLU 67 Cb 0.32 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1x48 h GLU 67 CO -0.69 0.60 -0.31 0.00 -1.40 0.00 0.00 179.01 177.22 1x48 h ALA 68 N 1.56 -0.85 -0.45 3.43 0.00 0.34 -2.76 119.26 120.53 1x48 h ALA 68 Ca 0.27 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1x48 h ALA 68 Cb -0.06 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1x48 h ALA 68 CO -0.06 -0.89 -0.26 0.98 0.00 0.00 0.00 179.25 179.01 1x48 n TYR 69 N -5.39 -0.20 0.08 0.00 9.36 0.11 -0.48 117.16 120.64 1x48 n TYR 69 Ca -0.12 0.56 -0.13 0.00 3.32 0.00 0.00 57.90 61.52 1x48 n TYR 69 Cb 0.36 -0.49 -0.08 0.00 -0.63 0.00 0.00 39.34 38.50 1x48 n TYR 69 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x48 h GLN 70 N 0.00 -0.58 -1.01 2.98 4.20 -1.61 -0.74 115.11 118.36 1x48 h GLN 70 Ca 0.07 0.04 0.38 0.00 0.06 0.00 0.00 58.65 59.20 1x48 h GLN 70 Cb 0.18 0.13 -0.17 0.00 0.30 0.00 0.00 27.48 27.93 1x48 h GLN 70 CO -0.42 -0.38 0.56 0.87 -0.67 0.00 0.00 178.83 178.79 1x48 h LYS 71 N -0.60 0.13 -0.28 1.46 1.79 -0.77 0.76 116.57 119.05 1x48 h LYS 71 Ca -0.00 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1x48 h LYS 71 Cb 0.61 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1x48 h LYS 71 CO -0.25 0.08 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.06 1x48 h LEU 72 N 0.13 0.54 -1.24 2.94 3.38 0.59 0.40 115.31 122.06 1x48 h LEU 72 Ca 0.80 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1x48 h LEU 72 Cb 2.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1x48 h LEU 72 CO -0.70 0.78 0.03 -0.07 0.09 0.00 0.00 178.44 178.57 1x48 h LEU 73 N 0.30 0.51 0.00 1.67 3.38 0.16 -2.37 115.31 118.96 1x48 h LEU 73 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x48 h LEU 73 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x48 h LEU 73 CO 0.03 0.56 -0.02 0.11 0.09 0.00 0.00 178.44 179.21 1x48 h LYS 74 N 0.53 0.00 -3.04 1.13 1.79 -0.70 -3.44 116.57 112.83 1x48 h LYS 74 Ca 0.12 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.97 1x48 h LYS 74 Cb 0.30 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.55 1x48 h LYS 74 CO 0.01 0.00 -0.71 -1.12 -1.08 0.00 0.00 179.45 176.55 1x48 s SER 75 N -4.72 3.78 1.01 0.86 0.01 0.14 -5.09 113.70 109.69 1x48 s SER 75 Ca -0.01 -2.88 -0.12 0.00 1.31 0.00 0.00 55.95 54.25 1x48 s SER 75 Cb 0.00 -1.19 0.19 0.00 0.21 0.00 0.00 66.02 65.23 1x48 s SER 75 CO 0.01 -0.23 1.09 -2.16 0.41 0.00 0.00 173.24 172.36 1x48 s PRO 76 N -0.01 0.35 0.25 12.44 0.04 -0.89 -4.43 135.00 142.76 1x48 s PRO 76 Ca 0.19 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 1x48 s PRO 76 Cb -0.20 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1x48 s PRO 76 CO -0.03 -2.78 1.27 -1.25 0.04 0.00 0.00 177.00 174.25 1x48 s PRO 77 N -4.97 4.43 0.08 0.56 0.04 -1.26 -4.95 135.00 128.92 1x48 s PRO 77 Ca 0.65 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1x48 s PRO 77 Cb -0.19 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1x48 s PRO 77 CO 0.58 -0.15 1.27 -0.22 0.04 0.00 0.00 177.00 178.52 1x48 h LYS 78 N 4.51 -0.03 -6.10 4.56 3.11 -2.00 -3.37 116.57 117.24 1x48 h LYS 78 Ca -0.46 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 56.82 1x48 h LYS 78 Cb 1.22 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.41 1x48 h LYS 78 CO 0.72 -0.02 0.10 -0.08 -2.81 0.00 0.00 179.45 177.36 1x48 s THR 79 N -4.27 4.97 -0.78 1.00 -1.32 -1.26 -5.02 115.64 108.95 1x48 s THR 79 Ca -0.06 1.48 -0.00 0.00 -1.21 0.00 0.00 61.69 61.89 1x48 s THR 79 Cb 0.05 -4.05 0.19 0.00 -1.51 0.00 0.00 72.50 67.19 1x48 s THR 79 CO 0.31 0.29 0.63 0.00 -2.21 0.00 0.00 174.62 173.64 1x48 s ALA 80 N 0.54 3.99 0.00 11.08 0.00 -1.26 -4.92 121.76 131.18 1x48 s ALA 80 Ca 0.37 -3.70 0.00 0.00 0.00 0.00 0.00 51.96 48.63 1x48 s ALA 80 Cb -0.18 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1x48 s ALA 80 CO 0.19 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1x48 n GLY 81 N 2.52 3.26 3.76 0.00 0.00 -1.15 -4.87 105.19 108.70 1x48 n GLY 81 Ca 0.18 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x48 s THR 82 N 0.00 2.58 -0.17 2.61 2.01 0.78 -4.99 115.64 118.46 1x48 s THR 82 Ca 0.00 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1x48 s THR 82 Cb 0.00 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1x48 s THR 82 CO 0.00 -0.00 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.17 1x48 s SER 83 N -1.14 3.16 0.33 3.53 0.15 -1.26 -5.05 113.70 113.43 1x48 s SER 83 Ca 0.67 -0.62 0.10 0.00 0.70 0.00 0.00 55.95 56.80 1x48 s SER 83 Cb -0.35 -1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 62.43 1x48 s SER 83 CO 0.42 0.03 -0.07 -0.83 1.20 0.00 0.00 173.24 173.98 1x48 s GLY 84 N 1.10 2.11 0.00 9.45 0.00 -1.26 -5.01 107.32 113.71 1x48 s GLY 84 Ca 0.00 -2.02 0.15 0.00 0.00 0.00 0.00 44.72 42.86 1x48 s GLY 84 CO -0.08 -1.98 1.37 -1.55 0.00 0.00 0.00 173.10 170.85 1x48 n PRO 85 N -0.82 0.40 -4.09 2.90 -0.04 -1.26 -4.71 135.00 127.38 1x48 n PRO 85 Ca -0.05 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1x48 n PRO 85 Cb 0.63 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1x48 n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x48 s SER 86 N -2.17 5.60 1.01 3.54 1.04 -1.26 -5.10 113.70 116.36 1x48 s SER 86 Ca 0.21 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1x48 s SER 86 Cb 0.11 -1.57 0.19 0.00 0.10 0.00 0.00 66.02 64.85 1x48 s SER 86 CO 0.19 0.23 1.05 -1.20 0.98 0.00 0.00 173.24 174.50 1x48 n SER 87 N 0.91 -0.48 0.00 7.02 7.64 -1.26 -5.13 113.62 122.32 1x48 n SER 87 Ca -0.11 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1x48 n SER 87 Cb 0.52 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64