#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1d s GLN 2 N 0.00 0.25 0.10 5.55 -0.21 -1.26 -1.91 119.66 122.18 1f1d s GLN 2 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.33 1f1d s GLN 2 Cb 0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.70 1f1d s GLN 2 CO 0.00 0.03 -0.07 0.00 -2.12 0.00 0.00 175.29 173.13 1f1d s ALA 3 N 0.12 1.01 0.02 6.09 0.00 -0.18 -2.49 121.76 126.32 1f1d s ALA 3 Ca -0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1f1d s ALA 3 Cb -0.03 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1f1d s ALA 3 CO -0.00 -0.21 0.28 0.54 0.00 0.00 0.00 175.76 176.37 1f1d s VAL 4 N -3.48 0.08 -0.03 0.00 0.11 -0.18 -0.26 120.40 116.64 1f1d s VAL 4 Ca 0.11 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1f1d s VAL 4 Cb 0.04 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1f1d s VAL 4 CO -0.04 -0.35 0.04 0.00 -3.33 0.00 0.00 175.10 171.42 1f1d s ALA 5 N -2.03 0.12 -0.41 1.54 0.00 0.49 -0.63 121.76 120.83 1f1d s ALA 5 Ca -0.09 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1f1d s ALA 5 Cb -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1f1d s ALA 5 CO -0.00 -0.22 0.36 0.08 0.00 0.00 0.00 175.76 175.98 1f1d s VAL 6 N 1.39 5.19 -0.09 0.00 1.01 -1.26 -0.34 120.40 126.30 1f1d s VAL 6 Ca -0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1f1d s VAL 6 Cb -0.13 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1f1d s VAL 6 CO -0.03 -0.36 1.05 -0.76 0.00 0.00 0.00 175.10 175.00 1f1d s LEU 7 N 1.88 4.26 0.09 3.92 1.43 -0.06 -4.14 118.68 126.06 1f1d s LEU 7 Ca 0.08 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1f1d s LEU 7 Cb -0.18 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1f1d s LEU 7 CO 0.12 -0.47 -0.01 -0.54 0.23 0.00 0.00 176.35 175.68 1f1d s LYS 8 N 2.00 0.76 -0.01 1.70 1.02 -0.41 -2.13 119.74 122.66 1f1d s LYS 8 Ca 0.50 -1.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 1f1d s LYS 8 Cb -0.20 0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.28 1f1d s LYS 8 CO 0.19 -0.14 0.41 0.41 -0.92 0.00 0.00 175.35 175.31 1f1d n GLY 9 N 0.01 0.48 1.33 -3.33 0.00 -1.25 -1.68 105.19 100.74 1f1d n GLY 9 Ca -0.11 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1f1d n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f1d n ASP 10 N -0.44 2.65 -0.12 1.61 8.00 -1.26 -4.63 116.55 122.36 1f1d n ASP 10 Ca 0.02 -3.77 0.10 0.00 0.71 0.00 0.00 54.79 51.85 1f1d n ASP 10 Cb 0.19 -0.67 0.15 0.00 -0.02 0.00 0.00 41.12 40.76 1f1d n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1d n ALA 11 N -1.13 2.37 0.00 2.24 0.00 -1.26 -4.97 120.51 117.76 1f1d n ALA 11 Ca 0.37 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1f1d n ALA 11 Cb 1.14 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1f1d n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1d n GLY 12 N -1.41 2.42 3.81 0.00 0.00 -1.26 -5.01 105.19 103.74 1f1d n GLY 12 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1f1d n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1d s VAL 13 N -2.45 5.14 0.07 1.61 1.01 -1.26 -4.17 120.40 120.35 1f1d s VAL 13 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1f1d s VAL 13 Cb 0.00 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1f1d s VAL 13 CO 0.00 0.52 0.55 -0.94 0.00 0.00 0.00 175.10 175.23 1f1d s SER 14 N -0.60 -0.48 -0.01 3.32 1.04 -0.80 -3.90 113.70 112.26 1f1d s SER 14 Ca 0.22 0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.65 1f1d s SER 14 Cb -0.15 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1f1d s SER 14 CO 0.10 -0.77 0.70 0.61 0.98 0.00 0.00 173.24 174.86 1f1d n GLY 15 N 0.24 0.41 2.89 7.32 0.00 -0.91 -0.89 105.19 114.26 1f1d n GLY 15 Ca -0.18 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1f1d n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1d s VAL 16 N -2.08 0.17 -0.09 1.61 1.01 0.35 -0.88 120.40 120.49 1f1d s VAL 16 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1f1d s VAL 16 Cb -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1f1d s VAL 16 CO -0.00 0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 1f1d s VAL 17 N 0.12 1.13 0.01 2.92 1.01 0.54 -1.56 120.40 124.57 1f1d s VAL 17 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1f1d s VAL 17 Cb -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1f1d s VAL 17 CO -0.00 0.37 -0.09 -0.54 0.00 0.00 0.00 175.10 174.83 1f1d s LYS 18 N 1.21 2.44 0.01 2.72 1.02 0.87 -0.38 119.74 127.63 1f1d s LYS 18 Ca -0.04 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.23 1f1d s LYS 18 Cb -0.14 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1f1d s LYS 18 CO -0.03 0.59 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.72 1f1d s PHE 19 N -0.98 1.82 -0.14 3.18 0.40 0.65 -0.53 117.98 122.37 1f1d s PHE 19 Ca 0.17 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1f1d s PHE 19 Cb -0.11 -1.13 0.06 0.00 0.51 0.00 0.00 43.02 42.35 1f1d s PHE 19 CO 0.07 0.02 0.33 -2.00 0.70 0.00 0.00 175.22 174.34 1f1d s GLU 20 N -0.78 0.27 -0.05 0.44 2.12 -0.64 -1.02 118.70 119.04 1f1d s GLU 20 Ca 0.08 0.73 -0.02 0.00 0.36 0.00 0.00 54.97 56.11 1f1d s GLU 20 Cb -0.08 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.33 1f1d s GLU 20 CO 0.00 -0.20 0.10 -1.14 -0.54 0.00 0.00 175.26 173.49 1f1d s GLN 21 N 1.70 0.01 -0.14 4.30 0.74 -0.80 -0.86 119.66 124.61 1f1d s GLN 21 Ca -0.06 0.36 -0.26 0.00 0.05 0.00 0.00 55.36 55.44 1f1d s GLN 21 Cb -0.10 -0.27 -0.24 0.00 1.10 0.00 0.00 33.01 33.50 1f1d s GLN 21 CO -0.11 -0.22 0.69 0.00 -0.55 0.00 0.00 175.29 175.10 1f1d h ALA 22 N 7.69 0.01 -2.43 1.58 0.00 -1.85 0.32 119.26 124.58 1f1d h ALA 22 Ca -0.33 -0.49 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 1f1d h ALA 22 Cb 1.13 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1f1d h ALA 22 CO 0.34 0.03 -0.71 -1.54 0.00 0.00 0.00 179.25 177.36 1f1d s SER 23 N -6.19 1.39 0.47 0.00 1.04 -1.26 -4.43 113.70 104.71 1f1d s SER 23 Ca -0.18 -0.93 0.12 0.00 0.48 0.00 0.00 55.95 55.45 1f1d s SER 23 Cb -0.02 0.04 1.09 0.00 0.10 0.00 0.00 66.02 67.22 1f1d s SER 23 CO 0.63 -0.35 2.10 -0.08 0.98 0.00 0.00 173.24 176.52 1f1d h GLU 24 N 3.18 0.24 0.00 4.02 4.81 -1.92 -1.49 114.58 123.42 1f1d h GLU 24 Ca -0.36 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1f1d h GLU 24 Cb 1.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1f1d h GLU 24 CO 0.60 0.16 -0.20 -1.13 -0.73 0.00 0.00 179.01 177.71 1f1d n SER 25 N -4.51 0.25 -4.83 1.04 3.41 -1.26 -4.86 113.62 102.87 1f1d n SER 25 Ca 0.00 0.23 -0.32 0.00 -0.26 0.00 0.00 58.87 58.52 1f1d n SER 25 Cb 0.10 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1f1d n SER 25 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1f1d s GLU 26 N -3.01 4.08 0.46 4.33 2.12 -0.56 -5.05 118.70 121.06 1f1d s GLU 26 Ca 0.12 0.96 -0.20 0.00 0.36 0.00 0.00 54.97 56.21 1f1d s GLU 26 Cb 0.18 -2.21 -0.10 0.00 0.26 0.00 0.00 34.13 32.26 1f1d s GLU 26 CO 0.60 -0.09 0.99 -1.25 -0.54 0.00 0.00 175.26 174.97 1f1d s PRO 27 N -3.50 4.02 0.01 4.30 0.04 -1.26 -4.85 135.00 133.75 1f1d s PRO 27 Ca 0.59 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 1f1d s PRO 27 Cb -0.10 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1f1d s PRO 27 CO 0.21 -0.22 0.62 0.99 0.04 0.00 0.00 177.00 178.64 1f1d s THR 28 N -2.13 4.86 -0.34 1.26 2.01 0.03 -4.72 115.64 116.62 1f1d s THR 28 Ca 0.64 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.79 1f1d s THR 28 Cb -0.12 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1f1d s THR 28 CO 0.17 0.42 0.39 -0.89 -0.69 0.00 0.00 174.62 174.02 1f1d s THR 29 N -0.24 5.14 -0.21 -0.82 2.01 -0.04 -0.30 115.64 121.17 1f1d s THR 29 Ca 0.32 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 1f1d s THR 29 Cb -0.19 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1f1d s THR 29 CO 0.18 -0.11 0.12 -0.69 -0.69 0.00 0.00 174.62 173.44 1f1d s VAL 30 N 2.09 5.21 -0.04 3.82 1.01 0.57 -1.63 120.40 131.44 1f1d s VAL 30 Ca 0.13 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1f1d s VAL 30 Cb -0.16 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1f1d s VAL 30 CO 0.12 0.40 -0.22 -0.44 0.00 0.00 0.00 175.10 174.97 1f1d s SER 31 N 0.69 2.61 0.05 3.32 0.01 0.31 -0.96 113.70 119.72 1f1d s SER 31 Ca 0.07 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1f1d s SER 31 Cb -0.12 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 1f1d s SER 31 CO 0.01 0.23 -0.06 -0.72 0.41 0.00 0.00 173.24 173.11 1f1d s TYR 32 N -0.25 0.60 -0.20 2.43 -0.85 0.44 -0.09 117.35 119.43 1f1d s TYR 32 Ca 0.01 -0.68 -0.04 0.00 -0.52 0.00 0.00 57.07 55.84 1f1d s TYR 32 Cb -0.11 -0.38 0.10 0.00 0.38 0.00 0.00 41.96 41.95 1f1d s TYR 32 CO 0.01 -0.16 0.24 -2.00 -1.52 0.00 0.00 175.55 172.12 1f1d s GLU 33 N -2.39 0.20 -0.05 -3.49 2.56 -0.60 -1.76 118.70 113.17 1f1d s GLU 33 Ca -0.04 0.27 -0.00 0.00 0.00 0.00 0.00 54.97 55.20 1f1d s GLU 33 Cb -0.04 -1.07 0.03 0.00 2.00 0.00 0.00 34.13 35.05 1f1d s GLU 33 CO -0.03 -0.63 -0.01 0.42 -0.56 0.00 0.00 175.26 174.45 1f1d s ILE 34 N 2.35 0.33 0.38 -3.70 1.01 0.17 -0.49 121.20 121.25 1f1d s ILE 34 Ca 0.07 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.86 1f1d s ILE 34 Cb -0.15 -0.43 -0.06 0.00 0.01 0.00 0.00 42.46 41.82 1f1d s ILE 34 CO -0.12 0.21 0.02 0.00 0.00 0.00 0.00 174.94 175.05 1f1d s ALA 35 N 1.36 3.21 0.00 9.38 0.00 -0.06 -0.38 121.76 135.27 1f1d s ALA 35 Ca -0.05 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1f1d s ALA 35 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1f1d s ALA 35 CO -0.02 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1f1d n GLY 36 N -0.98 0.75 3.93 0.00 0.00 -1.20 -1.91 105.19 105.78 1f1d n GLY 36 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1f1d n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1d s ASN 37 N -2.15 4.26 0.36 1.61 0.01 -0.79 -4.33 114.94 113.91 1f1d s ASN 37 Ca 0.00 0.39 -0.27 0.00 -0.71 0.00 0.00 52.86 52.27 1f1d s ASN 37 Cb 0.00 -0.82 -0.09 0.00 0.41 0.00 0.00 41.25 40.75 1f1d s ASN 37 CO 0.00 -1.99 1.23 -0.44 -1.51 0.00 0.00 177.10 174.39 1f1d s SER 38 N -4.65 6.66 0.65 -1.22 0.01 -1.26 -4.20 113.70 109.68 1f1d s SER 38 Ca 0.65 2.50 -0.15 0.00 1.31 0.00 0.00 55.95 60.26 1f1d s SER 38 Cb -0.08 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1f1d s SER 38 CO 0.48 -0.60 1.11 -2.16 0.41 0.00 0.00 173.24 172.48 1f1d s PRO 39 N -2.01 2.89 -1.32 12.44 0.04 -1.26 -4.04 135.00 141.74 1f1d s PRO 39 Ca 0.53 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 1f1d s PRO 39 Cb -0.35 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1f1d s PRO 39 CO 0.45 -1.18 0.37 0.09 0.04 0.00 0.00 177.00 176.77 1f1d n ASN 40 N -2.32 -1.79 -3.89 6.66 3.02 0.20 -4.91 115.26 112.24 1f1d n ASN 40 Ca 0.10 -1.25 -0.23 0.00 -0.03 0.00 0.00 54.58 53.17 1f1d n ASN 40 Cb 0.52 -1.53 -0.08 0.00 -0.61 0.00 0.00 39.78 38.08 1f1d n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1d s ALA 41 N -3.92 2.46 -0.10 5.41 0.00 -1.20 -4.93 121.76 119.48 1f1d s ALA 41 Ca 0.27 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.71 1f1d s ALA 41 Cb -0.15 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1f1d s ALA 41 CO 0.95 -0.46 -0.22 -1.21 0.00 0.00 0.00 175.76 174.82 1f1d s GLU 42 N -3.66 2.85 -0.05 0.00 2.02 -1.26 -0.34 118.70 118.26 1f1d s GLU 42 Ca 0.31 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.53 1f1d s GLU 42 Cb 0.03 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 1f1d s GLU 42 CO 0.19 0.14 -0.18 1.03 0.02 0.00 0.00 175.26 176.46 1f1d s ARG 43 N 0.44 1.91 0.21 1.61 1.81 -0.27 -3.46 118.95 121.19 1f1d s ARG 43 Ca -0.17 -0.62 -0.32 0.00 -1.72 0.00 0.00 55.73 52.89 1f1d s ARG 43 Cb -0.17 -1.62 -0.12 0.00 -0.45 0.00 0.00 34.95 32.58 1f1d s ARG 43 CO 0.07 0.23 1.72 0.41 -0.68 0.00 0.00 175.30 177.05 1f1d n GLY 44 N 3.23 1.52 3.05 -3.53 0.00 0.43 -0.82 105.19 109.08 1f1d n GLY 44 Ca -0.19 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1f1d n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1f1d s PHE 45 N 1.16 2.25 0.12 1.61 5.36 0.14 -0.68 117.98 127.93 1f1d s PHE 45 Ca 0.75 -1.22 -0.20 0.00 -0.96 0.00 0.00 56.93 55.30 1f1d s PHE 45 Cb -0.51 -1.62 0.05 0.00 -0.34 0.00 0.00 43.02 40.60 1f1d s PHE 45 CO 0.32 -0.64 0.51 0.00 -1.46 0.00 0.00 175.22 173.95 1f1d s ILE 47 N -3.46 5.22 0.27 0.00 1.01 -0.31 0.28 121.20 124.20 1f1d s ILE 47 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1f1d s ILE 47 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1f1d s ILE 47 CO -0.10 0.20 0.43 -1.00 0.00 0.00 0.00 174.94 174.46 1f1d s HIS 48 N 1.89 3.47 0.23 3.97 3.76 0.11 -1.46 115.29 127.27 1f1d s HIS 48 Ca 0.13 0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 55.15 1f1d s HIS 48 Cb -0.16 -1.73 0.31 0.00 1.11 0.00 0.00 32.58 32.11 1f1d s HIS 48 CO 0.10 0.32 1.84 1.49 -0.85 0.00 0.00 174.74 177.64 1f1d h GLU 49 N 1.21 0.87 -6.20 1.40 4.81 -0.75 -2.59 114.58 113.33 1f1d h GLU 49 Ca -0.50 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 58.01 1f1d h GLU 49 Cb 1.22 -0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 1f1d h GLU 49 CO 0.63 0.57 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.78 1f1d s PHE 50 N -6.07 3.07 -0.65 0.92 0.08 0.40 -4.65 117.98 111.08 1f1d s PHE 50 Ca -0.13 0.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 1f1d s PHE 50 Cb 0.18 -1.64 0.43 0.00 -0.57 0.00 0.00 43.02 41.42 1f1d s PHE 50 CO 0.78 0.47 1.91 0.41 -0.10 0.00 0.00 175.22 178.70 1f1d n GLY 51 N 1.11 5.88 3.57 4.36 0.00 -1.05 -2.82 105.19 116.23 1f1d n GLY 51 Ca -0.13 -2.40 -0.38 0.00 0.00 0.00 0.00 46.02 43.11 1f1d n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1d s ASP 52 N -1.95 5.95 -0.17 1.61 -1.08 -1.26 -4.92 116.67 114.86 1f1d s ASP 52 Ca 0.60 -0.07 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 1f1d s ASP 52 Cb 0.48 -2.10 0.46 0.00 -1.46 0.00 0.00 42.92 40.29 1f1d s ASP 52 CO -0.09 -0.07 1.34 0.00 0.52 0.00 0.00 175.17 176.87 1f1d n ALA 53 N 5.05 2.81 0.21 3.66 0.00 -1.26 -3.38 120.51 127.59 1f1d n ALA 53 Ca -0.14 -2.44 0.04 0.00 0.00 0.00 0.00 53.44 50.90 1f1d n ALA 53 Cb 0.52 -0.61 0.44 0.00 0.00 0.00 0.00 19.45 19.80 1f1d n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f1d h THR 54 N 1.22 1.19 -2.41 0.00 1.35 -1.92 -3.30 112.91 109.04 1f1d h THR 54 Ca 0.01 -0.91 -0.59 0.00 -0.55 0.00 0.00 66.41 64.36 1f1d h THR 54 Cb 1.31 1.49 -0.41 0.00 -1.73 0.00 0.00 68.15 68.82 1f1d h THR 54 CO 0.16 0.26 -0.76 -3.20 -0.25 0.00 0.00 175.52 171.72 1f1d n ASN 55 N -4.22 2.10 0.00 5.36 5.15 -1.26 -5.05 115.26 117.34 1f1d n ASN 55 Ca -0.02 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1f1d n ASN 55 Cb 0.32 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1f1d n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f1d n GLY 56 N 1.58 2.65 0.45 8.20 0.00 -1.24 -1.60 105.19 115.23 1f1d n GLY 56 Ca 0.25 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1f1d n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1d h VAL 58 N 2.23 1.20 0.00 0.00 2.07 -1.65 -2.88 116.25 117.22 1f1d h VAL 58 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1f1d h VAL 58 Cb 0.64 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1f1d h VAL 58 CO 0.00 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 176.22 1f1d n SER 59 N -4.89 0.00 0.27 0.57 3.41 -1.00 -2.57 113.62 109.41 1f1d n SER 59 Ca -0.06 -0.28 0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1f1d n SER 59 Cb 0.15 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.73 1f1d n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1d h ALA 60 N 2.48 1.00 0.00 7.33 0.00 -1.52 -3.38 119.26 125.18 1f1d h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f1d h ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f1d h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1f1d n GLY 61 N 0.16 -1.45 3.97 0.00 0.00 -1.06 -0.45 105.19 106.35 1f1d n GLY 61 Ca 0.01 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 1f1d n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f1d n PRO 62 N 0.00 -0.69 -1.83 1.61 -0.04 -1.26 -4.71 135.00 128.09 1f1d n PRO 62 Ca 0.00 -2.48 -0.40 0.00 -0.04 0.00 0.00 63.50 60.58 1f1d n PRO 62 Cb 0.00 -1.02 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1f1d n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1f1d s HIS 63 N -3.55 2.55 -0.17 0.54 3.76 -1.26 -0.53 115.29 116.61 1f1d s HIS 63 Ca 0.72 1.24 -0.29 0.00 -0.15 0.00 0.00 55.06 56.59 1f1d s HIS 63 Cb -0.03 -3.93 -0.04 0.00 1.11 0.00 0.00 32.58 29.69 1f1d s HIS 63 CO 0.49 -2.87 1.76 0.12 -0.85 0.00 0.00 174.74 173.39 1f1d s PHE 64 N -1.17 1.83 -0.41 1.40 5.36 -0.54 -4.45 117.98 119.99 1f1d s PHE 64 Ca 0.57 0.38 0.08 0.00 -0.96 0.00 0.00 56.93 57.00 1f1d s PHE 64 Cb -0.44 -4.01 0.27 0.00 -0.34 0.00 0.00 43.02 38.50 1f1d s PHE 64 CO 0.58 -3.55 0.67 -1.71 -1.46 0.00 0.00 175.22 169.76 1f1d n ASN 65 N 8.73 -0.60 0.26 6.13 5.15 -1.26 -1.50 115.26 132.17 1f1d n ASN 65 Ca 0.20 -2.94 0.14 0.00 -0.60 0.00 0.00 54.58 51.39 1f1d n ASN 65 Cb 0.44 0.09 0.84 0.00 -0.53 0.00 0.00 39.78 40.63 1f1d n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f1d h PRO 66 N 3.79 0.00 -0.64 1.20 0.13 -1.99 -1.76 132.00 132.74 1f1d h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1f1d h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1f1d h PRO 66 CO 0.42 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.38 1f1d n PHE 67 N -3.98 1.30 -4.19 1.56 3.72 -1.26 -4.95 117.46 109.66 1f1d n PHE 67 Ca -0.02 -0.52 -0.31 0.00 -0.05 0.00 0.00 57.45 56.56 1f1d n PHE 67 Cb 0.16 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 1f1d n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f1d n LYS 68 N 0.95 -1.45 -3.14 -1.08 5.02 -0.66 -4.98 118.16 112.82 1f1d n LYS 68 Ca 0.22 0.17 -0.20 0.00 -2.02 0.00 0.00 58.31 56.48 1f1d n LYS 68 Cb 0.79 -3.72 0.05 0.00 -0.02 0.00 0.00 35.03 32.13 1f1d n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f1d s LYS 69 N -7.16 2.34 0.43 1.97 -0.14 -1.26 -5.11 119.74 110.80 1f1d s LYS 69 Ca 0.06 -1.66 -0.04 0.00 -1.36 0.00 0.00 55.97 52.97 1f1d s LYS 69 Cb -0.03 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1f1d s LYS 69 CO 0.97 -0.79 0.70 0.95 -0.76 0.00 0.00 175.35 176.42 1f1d s THR 70 N -2.66 4.96 0.31 2.17 -4.23 -1.26 -4.77 115.64 110.16 1f1d s THR 70 Ca 0.58 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.84 1f1d s THR 70 Cb -0.06 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.83 1f1d s THR 70 CO 0.36 -0.71 1.43 -2.28 -0.54 0.00 0.00 174.62 172.88 1f1d s HIS 71 N -2.56 2.89 0.00 3.99 2.46 0.36 -3.26 115.29 119.17 1f1d s HIS 71 Ca 0.45 1.15 0.00 0.00 0.47 0.00 0.00 55.06 57.13 1f1d s HIS 71 Cb -0.10 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1f1d s HIS 71 CO 0.41 -2.61 0.00 0.41 -2.47 0.00 0.00 174.74 170.48 1f1d n GLY 72 N 1.34 2.66 3.86 1.59 0.00 -1.26 -4.33 105.19 109.04 1f1d n GLY 72 Ca 0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1f1d n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1d s ALA 73 N -1.15 3.28 0.59 4.61 0.00 -1.22 -4.71 121.76 123.16 1f1d s ALA 73 Ca 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 51.96 52.23 1f1d s ALA 73 Cb 0.00 -2.81 1.50 0.00 0.00 0.00 0.00 23.12 21.81 1f1d s ALA 73 CO 0.00 0.10 1.92 -1.35 0.00 0.00 0.00 175.76 176.42 1f1d h PRO 74 N 1.62 0.00 -0.26 0.00 0.11 -1.91 0.25 132.00 131.81 1f1d h PRO 74 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1f1d h PRO 74 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1f1d h PRO 74 CO 0.64 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1f1d n THR 75 N -3.67 0.33 -2.94 -1.15 -2.24 -1.26 -4.95 114.28 98.40 1f1d n THR 75 Ca 0.07 -0.67 -0.34 0.00 -2.27 0.00 0.00 64.05 60.84 1f1d n THR 75 Cb 0.61 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.94 1f1d n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f1d s ASP 76 N -1.64 7.01 0.19 3.42 1.01 0.89 -4.96 116.67 122.58 1f1d s ASP 76 Ca 0.35 1.57 -0.07 0.00 0.71 0.00 0.00 52.55 55.10 1f1d s ASP 76 Cb 0.22 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.75 1f1d s ASP 76 CO 0.31 -0.19 1.59 -0.08 0.21 0.00 0.00 175.17 177.02 1f1d h GLU 77 N 2.54 0.91 -4.79 8.23 4.22 -1.92 -3.38 114.58 120.39 1f1d h GLU 77 Ca -0.48 -0.37 -0.67 0.00 0.08 0.00 0.00 59.36 57.92 1f1d h GLU 77 Cb 1.18 -0.04 -0.20 0.00 0.50 0.00 0.00 28.75 30.19 1f1d h GLU 77 CO 0.64 1.02 -0.53 0.08 -2.18 0.00 0.00 179.01 178.04 1f1d s VAL 78 N -4.68 4.94 0.19 0.32 1.01 -1.26 -5.02 120.40 115.90 1f1d s VAL 78 Ca -0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1f1d s VAL 78 Cb 0.13 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1f1d s VAL 78 CO 0.85 0.09 0.89 0.00 0.00 0.00 0.00 175.10 176.94 1f1d s ARG 79 N 1.68 1.35 0.30 2.72 1.70 -1.20 -4.22 118.95 121.28 1f1d s ARG 79 Ca 0.06 -0.74 -0.14 0.00 -0.47 0.00 0.00 55.73 54.44 1f1d s ARG 79 Cb -0.17 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 1f1d s ARG 79 CO 0.08 -0.62 0.69 -1.01 -1.08 0.00 0.00 175.30 173.36 1f1d s HIS 80 N -3.46 3.38 0.32 5.89 3.76 -1.22 -4.64 115.29 119.34 1f1d s HIS 80 Ca 0.12 1.13 0.05 0.00 -0.15 0.00 0.00 55.06 56.21 1f1d s HIS 80 Cb -0.03 -2.46 0.68 0.00 1.11 0.00 0.00 32.58 31.88 1f1d s HIS 80 CO 0.03 0.14 1.87 0.28 -0.85 0.00 0.00 174.74 176.21 1f1d h VAL 81 N 1.97 0.92 0.00 -0.90 2.07 -1.88 -1.91 116.25 116.52 1f1d h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1f1d h VAL 81 Cb 1.17 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1f1d h VAL 81 CO 0.66 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.02 1f1d n GLY 82 N -1.40 -0.95 3.60 2.17 0.00 -0.56 -4.45 105.19 103.60 1f1d n GLY 82 Ca 0.17 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1f1d n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1d s ASP 83 N -1.61 6.57 -0.06 1.61 -0.00 -0.72 -1.17 116.67 121.30 1f1d s ASP 83 Ca 0.27 0.50 0.12 0.00 -0.00 0.00 0.00 52.55 53.44 1f1d s ASP 83 Cb 0.12 -2.55 0.34 0.00 -0.00 0.00 0.00 42.92 40.84 1f1d s ASP 83 CO 0.21 -1.30 1.28 0.23 -0.00 0.00 0.00 175.17 175.58 1f1d n MET 84 N 7.93 2.83 0.00 8.23 2.81 -1.00 -4.32 117.12 133.59 1f1d n MET 84 Ca 0.13 -2.27 0.00 0.00 -1.81 0.00 0.00 57.70 53.75 1f1d n MET 84 Cb 0.49 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1f1d n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1d n GLY 85 N -0.01 3.02 3.28 3.03 0.00 -1.17 -4.65 105.19 108.69 1f1d n GLY 85 Ca 0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1f1d n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1d s ASN 86 N -4.00 2.79 -0.03 1.61 0.01 -1.26 0.24 114.94 114.30 1f1d s ASN 86 Ca 0.00 -0.47 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 1f1d s ASN 86 Cb 0.00 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1f1d s ASN 86 CO 0.00 0.27 0.12 0.68 -1.51 0.00 0.00 177.10 176.66 1f1d s VAL 87 N -0.63 5.06 -0.21 1.60 -7.23 0.00 -4.84 120.40 114.15 1f1d s VAL 87 Ca 0.09 -0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 59.89 1f1d s VAL 87 Cb -0.09 -3.31 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 1f1d s VAL 87 CO -0.00 0.39 0.31 -0.54 -0.31 0.00 0.00 175.10 174.95 1f1d s LYS 88 N -1.67 4.15 0.13 4.82 3.01 -1.26 -1.12 119.74 127.80 1f1d s LYS 88 Ca 0.23 0.04 -0.08 0.00 -1.01 0.00 0.00 55.97 55.15 1f1d s LYS 88 Cb -0.12 -3.53 -0.06 0.00 -1.01 0.00 0.00 37.83 33.11 1f1d s LYS 88 CO 0.14 0.01 0.42 0.95 0.51 0.00 0.00 175.35 177.38 1f1d s THR 89 N 1.17 5.09 0.13 2.17 -4.23 0.54 -4.41 115.64 116.10 1f1d s THR 89 Ca 0.15 0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1f1d s THR 89 Cb -0.14 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1f1d s THR 89 CO 0.06 0.12 0.18 -0.90 -0.54 0.00 0.00 174.62 173.54 1f1d n ASP 90 N 0.39 0.19 0.32 3.99 5.68 0.13 -2.65 116.55 124.60 1f1d n ASP 90 Ca -0.04 -1.17 0.19 0.00 -0.50 0.00 0.00 54.79 53.26 1f1d n ASP 90 Cb 0.52 -0.12 1.00 0.00 -1.14 0.00 0.00 41.12 41.38 1f1d n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1f1d h GLU 91 N 0.00 0.00 -0.41 0.11 9.09 -1.92 0.11 114.58 121.55 1f1d h GLU 91 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1f1d h GLU 91 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1f1d h GLU 91 CO 0.06 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.21 1f1d n ASN 92 N -3.10 3.83 0.00 3.06 4.13 -1.26 -4.72 115.26 117.20 1f1d n ASN 92 Ca -0.02 -2.48 0.00 0.00 1.68 0.00 0.00 54.58 53.76 1f1d n ASN 92 Cb 0.24 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1f1d n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f1d n GLY 93 N 0.37 0.47 3.83 7.41 0.00 -0.26 -4.67 105.19 112.34 1f1d n GLY 93 Ca 0.19 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1f1d n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1d s VAL 94 N -2.00 5.47 -0.16 1.61 1.01 -1.26 -1.88 120.40 123.20 1f1d s VAL 94 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1f1d s VAL 94 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1f1d s VAL 94 CO 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 1f1d s ALA 95 N -0.60 2.55 -0.21 5.51 0.00 0.48 0.21 121.76 129.71 1f1d s ALA 95 Ca 0.13 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1f1d s ALA 95 Cb -0.12 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.79 1f1d s ALA 95 CO 0.02 -0.05 0.50 0.21 0.00 0.00 0.00 175.76 176.45 1f1d s LYS 96 N 0.84 0.51 0.00 0.00 2.20 -1.26 0.43 119.74 122.45 1f1d s LYS 96 Ca -0.04 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1f1d s LYS 96 Cb -0.15 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1f1d s LYS 96 CO -0.00 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1f1d n GLY 97 N 4.17 -0.77 3.64 5.54 0.00 -0.72 -5.00 105.19 112.04 1f1d n GLY 97 Ca -0.22 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 1f1d n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1d s SER 98 N -4.00 -0.29 0.18 1.61 1.04 -1.26 -0.42 113.70 110.56 1f1d s SER 98 Ca 0.00 -0.25 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 1f1d s SER 98 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1f1d s SER 98 CO 0.00 -0.87 0.86 0.72 0.98 0.00 0.00 173.24 174.94 1f1d s PHE 99 N -3.36 -0.18 0.12 5.02 -0.12 -0.14 -5.00 117.98 114.33 1f1d s PHE 99 Ca 0.08 -0.16 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1f1d s PHE 99 Cb -0.02 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1f1d s PHE 99 CO -0.03 -0.94 -0.13 0.15 -0.05 0.00 0.00 175.22 174.22 1f1d s LYS 100 N -3.50 1.97 -0.03 1.99 1.02 -1.26 -0.32 119.74 119.62 1f1d s LYS 100 Ca 0.11 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1f1d s LYS 100 Cb -0.03 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1f1d s LYS 100 CO 0.02 0.48 0.06 0.34 -0.92 0.00 0.00 175.35 175.34 1f1d s ASP 101 N -2.28 -0.05 0.29 2.83 2.15 0.58 -4.94 116.67 115.26 1f1d s ASP 101 Ca 0.21 0.13 0.23 0.00 0.43 0.00 0.00 52.55 53.54 1f1d s ASP 101 Cb -0.11 0.10 0.16 0.00 -0.30 0.00 0.00 42.92 42.78 1f1d s ASP 101 CO 0.12 -0.05 1.29 0.28 -0.17 0.00 0.00 175.17 176.64 1f1d h SER 102 N 6.39 0.00 0.21 -0.34 0.02 -1.92 0.12 113.55 118.03 1f1d h SER 102 Ca -0.30 -0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.29 1f1d h SER 102 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1f1d h SER 102 CO 0.47 0.01 -1.87 -0.07 -1.14 0.00 0.00 176.83 174.22 1f1d h LEU 103 N 0.00 0.41 -9.47 5.07 3.38 -1.96 -3.46 115.31 109.28 1f1d h LEU 103 Ca 0.00 -0.81 -0.54 0.00 0.09 0.00 0.00 57.88 56.63 1f1d h LEU 103 Cb 0.98 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1f1d h LEU 103 CO 0.00 1.71 0.70 -0.63 0.09 0.00 0.00 178.44 180.31 1f1d s ILE 104 N -2.57 3.68 0.01 1.22 1.01 -1.26 -5.00 121.20 118.29 1f1d s ILE 104 Ca -0.18 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 1f1d s ILE 104 Cb 0.07 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1f1d s ILE 104 CO 0.80 0.06 0.00 -0.54 0.00 0.00 0.00 174.94 175.27 1f1d s LYS 105 N 1.48 0.18 -0.00 2.79 1.02 -1.26 -4.01 119.74 119.94 1f1d s LYS 105 Ca 0.62 -0.29 0.21 0.00 0.02 0.00 0.00 55.97 56.53 1f1d s LYS 105 Cb -0.33 0.07 -0.24 0.00 -0.52 0.00 0.00 37.83 36.81 1f1d s LYS 105 CO 0.28 -0.03 0.86 1.28 -0.92 0.00 0.00 175.35 176.82 1f1d n LEU 106 N 2.31 0.91 -4.33 3.17 4.77 -1.26 -0.26 117.00 122.30 1f1d n LEU 106 Ca -0.18 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.06 1f1d n LEU 106 Cb 0.57 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 1f1d n LEU 106 CO 0.23 0.23 -0.56 -0.63 -1.33 0.00 0.00 177.39 175.33 1f1d s ILE 107 N -3.04 2.05 0.00 -0.08 1.01 -1.26 -4.75 121.20 115.13 1f1d s ILE 107 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1f1d s ILE 107 Cb 0.16 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1f1d s ILE 107 CO 0.87 0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.66 1f1d n GLY 108 N 1.54 0.11 0.32 6.18 0.00 -1.26 -4.30 105.19 107.78 1f1d n GLY 108 Ca -0.17 -1.99 0.21 0.00 0.00 0.00 0.00 46.02 44.07 1f1d n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f1d h PRO 109 N 0.00 0.00 -0.44 1.61 0.13 -1.99 -2.44 132.00 128.87 1f1d h PRO 109 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1f1d h PRO 109 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1f1d h PRO 109 CO 0.00 0.00 0.05 0.25 -0.23 0.00 0.00 178.00 178.07 1f1d n THR 110 N -2.98 2.57 -1.61 1.56 -2.24 -1.26 -5.03 114.28 105.28 1f1d n THR 110 Ca -0.03 -1.79 -0.41 0.00 -2.27 0.00 0.00 64.05 59.55 1f1d n THR 110 Cb 0.08 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.03 1f1d n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f1d n SER 111 N -0.21 1.28 -0.68 3.42 2.88 -0.92 -4.54 113.62 114.84 1f1d n SER 111 Ca 0.28 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.96 1f1d n SER 111 Cb 1.08 -1.36 0.36 0.00 -0.75 0.00 0.00 64.21 63.54 1f1d n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f1d n VAL 112 N -0.57 0.16 -2.11 2.46 0.24 0.64 -4.91 118.33 114.24 1f1d n VAL 112 Ca 0.10 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 1f1d n VAL 112 Cb 0.40 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 1f1d n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1d s VAL 113 N -1.84 3.25 0.00 3.34 1.01 -1.26 -2.02 120.40 122.88 1f1d s VAL 113 Ca 0.34 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1f1d s VAL 113 Cb 0.20 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1f1d s VAL 113 CO 0.30 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1f1d n GLY 114 N 3.65 0.73 1.54 4.51 0.00 -0.31 -5.02 105.19 110.30 1f1d n GLY 114 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1f1d n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1d n ARG 115 N -2.14 1.08 -4.29 1.61 1.74 -0.86 -2.54 116.66 111.27 1f1d n ARG 115 Ca 0.00 -1.35 -0.29 0.00 -0.77 0.00 0.00 57.85 55.44 1f1d n ARG 115 Cb 0.00 0.08 -0.11 0.00 -1.02 0.00 0.00 32.46 31.41 1f1d n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f1d s SER 116 N -2.34 3.98 -0.11 0.55 0.01 -0.98 -1.02 113.70 113.80 1f1d s SER 116 Ca 0.16 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 1f1d s SER 116 Cb -0.01 -0.59 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 1f1d s SER 116 CO 0.10 0.17 -0.09 -0.69 0.41 0.00 0.00 173.24 173.14 1f1d s VAL 117 N -1.23 3.49 -0.03 3.43 1.01 0.12 0.08 120.40 127.27 1f1d s VAL 117 Ca 0.19 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1f1d s VAL 117 Cb -0.10 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1f1d s VAL 117 CO 0.11 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.91 1f1d s VAL 118 N -0.11 1.32 -0.18 2.92 1.01 0.14 -1.30 120.40 124.21 1f1d s VAL 118 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1f1d s VAL 118 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1f1d s VAL 118 CO 0.03 0.38 -0.01 -0.51 0.00 0.00 0.00 175.10 174.99 1f1d s ILE 119 N -0.09 4.04 0.46 2.22 -1.16 -0.92 -1.57 121.20 124.18 1f1d s ILE 119 Ca -0.00 -0.29 -0.01 0.00 -0.51 0.00 0.00 60.65 59.83 1f1d s ILE 119 Cb -0.09 -2.80 -0.01 0.00 0.61 0.00 0.00 42.46 40.16 1f1d s ILE 119 CO 0.01 0.46 0.70 -1.00 -2.81 0.00 0.00 174.94 172.30 1f1d s HIS 120 N 0.64 3.29 -1.03 3.50 3.76 0.14 -3.15 115.29 122.44 1f1d s HIS 120 Ca -0.01 0.36 0.26 0.00 -0.15 0.00 0.00 55.06 55.52 1f1d s HIS 120 Cb -0.14 -2.32 0.62 0.00 1.11 0.00 0.00 32.58 31.85 1f1d s HIS 120 CO 0.02 -0.36 1.49 0.00 -0.85 0.00 0.00 174.74 175.05 1f1d n ALA 121 N -2.13 3.37 -2.58 -1.40 0.00 -0.26 -4.52 120.51 112.99 1f1d n ALA 121 Ca 0.01 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1f1d n ALA 121 Cb 0.57 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 1f1d n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f1d s GLY 122 N -2.98 2.76 0.03 0.00 0.00 0.55 -4.95 107.32 102.73 1f1d s GLY 122 Ca 0.12 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 43.65 1f1d s GLY 122 CO 0.67 -1.92 0.66 1.62 0.00 0.00 0.00 173.10 174.14 1f1d s GLN 123 N -3.72 4.39 0.06 2.90 0.74 -1.22 -0.43 119.66 122.37 1f1d s GLN 123 Ca 0.18 0.88 -0.30 0.00 0.05 0.00 0.00 55.36 56.17 1f1d s GLN 123 Cb 0.02 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 1f1d s GLN 123 CO 0.12 0.37 1.12 0.34 -0.55 0.00 0.00 175.29 176.69 1f1d s ASP 124 N -0.27 7.20 -0.01 6.67 -1.08 -1.26 -3.98 116.67 123.94 1f1d s ASP 124 Ca 0.34 1.92 0.05 0.00 -0.52 0.00 0.00 52.55 54.33 1f1d s ASP 124 Cb -0.19 -2.58 0.15 0.00 -1.46 0.00 0.00 42.92 38.84 1f1d s ASP 124 CO 0.20 -0.37 1.06 -0.90 0.52 0.00 0.00 175.17 175.68 1f1d n ASP 125 N 3.69 1.10 -1.79 -0.34 5.68 0.15 -4.87 116.55 120.17 1f1d n ASP 125 Ca 0.07 -2.04 -0.15 0.00 -0.50 0.00 0.00 54.79 52.17 1f1d n ASP 125 Cb 0.48 -0.19 -0.04 0.00 -1.14 0.00 0.00 41.12 40.22 1f1d n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1d n LEU 126 N 0.01 -1.20 -0.06 -2.12 4.77 -1.26 -0.39 117.00 116.75 1f1d n LEU 126 Ca 0.06 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1f1d n LEU 126 Cb 0.20 -2.26 -0.00 0.00 -2.33 0.00 0.00 43.42 39.02 1f1d n LEU 126 CO 0.04 -0.56 -0.01 0.61 -1.33 0.00 0.00 177.39 176.15 1f1d n GLY 127 N -0.49 0.41 0.57 -0.72 0.00 -1.26 -3.40 105.19 100.30 1f1d n GLY 127 Ca -0.16 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1f1d n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f1d n LYS 128 N -1.87 1.44 -1.29 1.61 5.02 0.48 -4.58 118.16 118.97 1f1d n LYS 128 Ca -0.01 -1.15 -0.30 0.00 -2.02 0.00 0.00 58.31 54.83 1f1d n LYS 128 Cb 0.16 -1.48 0.11 0.00 -0.02 0.00 0.00 35.03 33.80 1f1d n LYS 128 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1f1d s GLY 129 N -2.35 1.65 -0.80 0.72 0.00 -1.24 -4.95 107.32 100.35 1f1d s GLY 129 Ca 0.22 0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.04 1f1d s GLY 129 CO 0.49 0.49 0.70 1.34 0.00 0.00 0.00 173.10 176.12 1f1d n ASP 130 N -3.62 3.80 -2.20 1.64 4.64 -1.26 -4.79 116.55 114.76 1f1d n ASP 130 Ca 0.08 -3.22 -0.09 0.00 -1.38 0.00 0.00 54.79 50.18 1f1d n ASP 130 Cb 0.54 -0.90 -0.02 0.00 -1.04 0.00 0.00 41.12 39.70 1f1d n ASP 130 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1f1d n THR 131 N 1.92 0.00 0.02 5.18 -2.24 -1.26 -5.07 114.28 112.83 1f1d n THR 131 Ca 0.22 -1.08 0.05 0.00 -2.27 0.00 0.00 64.05 60.97 1f1d n THR 131 Cb 0.37 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 1f1d n THR 131 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f1d n GLU 132 N -0.35 0.64 0.27 -0.78 4.71 -1.26 -3.81 120.64 120.06 1f1d n GLU 132 Ca 0.01 0.03 0.15 0.00 -0.01 0.00 0.00 57.16 57.33 1f1d n GLU 132 Cb 0.35 -1.68 0.69 0.00 -1.01 0.00 0.00 31.44 29.79 1f1d n GLU 132 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1f1d h GLU 133 N 0.00 0.00 -0.00 3.49 4.39 -1.97 -2.98 114.58 117.50 1f1d h GLU 133 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1f1d h GLU 133 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1f1d h GLU 133 CO 0.02 0.09 0.00 1.03 -1.16 0.00 0.00 179.01 178.99 1f1d h SER 134 N 0.00 0.00 1.04 1.42 0.87 -1.87 0.50 113.55 115.52 1f1d h SER 134 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1f1d h SER 134 Cb 0.48 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1f1d h SER 134 CO 0.01 0.10 0.00 -0.07 -0.53 0.00 0.00 176.83 176.35 1f1d h LEU 135 N -0.10 0.00 0.00 2.23 3.38 -1.72 -0.89 115.31 118.21 1f1d h LEU 135 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1f1d h LEU 135 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1f1d h LEU 135 CO -0.00 0.00 -0.63 0.29 0.09 0.00 0.00 178.44 178.19 1f1d n LYS 136 N -2.31 0.47 0.00 1.13 4.76 -1.07 -0.49 118.16 120.65 1f1d n LYS 136 Ca 0.03 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1f1d n LYS 136 Cb 0.31 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1f1d n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1f1d n THR 137 N -4.59 0.00 -0.17 -0.18 -2.24 0.17 -4.55 114.28 102.72 1f1d n THR 137 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1f1d n THR 137 Cb 0.32 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1f1d n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1d n GLY 138 N 3.00 0.72 3.57 3.38 0.00 -0.34 -4.44 105.19 111.09 1f1d n GLY 138 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1f1d n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1d n ASN 139 N 0.00 -4.84 0.00 1.61 3.02 -1.25 0.33 115.26 114.13 1f1d n ASN 139 Ca 0.00 -0.56 0.12 0.00 -0.03 0.00 0.00 54.58 54.11 1f1d n ASN 139 Cb 0.00 -3.90 0.60 0.00 -0.61 0.00 0.00 39.78 35.87 1f1d n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1d n ALA 140 N -4.15 2.22 0.00 5.41 0.00 -1.26 -4.70 120.51 118.04 1f1d n ALA 140 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1f1d n ALA 140 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1f1d n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1d n GLY 141 N 0.71 -1.08 3.50 0.00 0.00 -1.26 -0.33 105.19 106.72 1f1d n GLY 141 Ca 0.12 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1f1d n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f1d n PRO 142 N 0.00 -0.94 -3.84 1.61 -0.02 -1.26 -4.70 135.00 125.86 1f1d n PRO 142 Ca 0.00 -0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 60.94 1f1d n PRO 142 Cb 0.00 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 1f1d n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f1d s ARG 143 N -4.11 2.51 0.49 -0.52 0.52 -1.26 -1.10 118.95 115.48 1f1d s ARG 143 Ca 0.62 -3.03 0.14 0.00 -0.52 0.00 0.00 55.73 52.95 1f1d s ARG 143 Cb -0.21 -3.55 1.17 0.00 0.52 0.00 0.00 34.95 32.88 1f1d s ARG 143 CO 0.63 -1.22 2.12 -1.00 0.02 0.00 0.00 175.30 175.86 1f1d h PRO 144 N 6.04 0.11 -3.52 3.54 0.13 -1.85 -3.44 132.00 133.00 1f1d h PRO 144 Ca 0.07 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 1f1d h PRO 144 Cb 0.83 -0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.78 1f1d h PRO 144 CO 0.74 0.08 -0.32 0.00 -0.23 0.00 0.00 178.00 178.27 1f1d s ALA 145 N -5.13 -0.47 0.11 -0.56 0.00 -1.24 -4.08 121.76 110.40 1f1d s ALA 145 Ca -0.06 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 1f1d s ALA 145 Cb 0.17 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.73 1f1d s ALA 145 CO 0.68 -0.43 0.84 0.00 0.00 0.00 0.00 175.76 176.86 1f1d s GLY 147 N -2.74 -0.55 0.05 0.00 0.00 -0.42 -1.29 107.32 102.38 1f1d s GLY 147 Ca 0.08 1.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.93 1f1d s GLY 147 CO -0.04 0.98 0.85 0.14 0.00 0.00 0.00 173.10 175.04 1f1d s VAL 148 N -1.15 4.69 -0.39 1.40 1.01 -1.26 -0.70 120.40 124.00 1f1d s VAL 148 Ca -0.10 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1f1d s VAL 148 Cb -0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1f1d s VAL 148 CO 0.09 0.32 1.25 -0.63 0.00 0.00 0.00 175.10 176.12 1f1d s ILE 149 N 0.15 4.14 0.38 2.22 1.01 -0.18 -4.42 121.20 124.50 1f1d s ILE 149 Ca 0.43 1.22 0.08 0.00 0.00 0.00 0.00 60.65 62.38 1f1d s ILE 149 Cb -0.21 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 1f1d s ILE 149 CO 0.26 -0.73 0.17 -0.83 0.00 0.00 0.00 174.94 173.81 1f1d s GLY 150 N 2.86 2.15 0.57 6.18 0.00 0.19 -1.16 107.32 118.10 1f1d s GLY 150 Ca 0.54 -1.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 1f1d s GLY 150 CO 0.28 -1.83 0.98 1.08 0.00 0.00 0.00 173.10 173.60 1f1d s LEU 151 N -3.89 3.40 0.00 0.66 1.43 -1.26 -1.01 118.68 118.01 1f1d s LEU 151 Ca 0.40 1.38 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1f1d s LEU 151 Cb 0.01 -4.39 0.06 0.00 0.03 0.00 0.00 46.19 41.90 1f1d s LEU 151 CO 0.23 -0.74 0.75 1.07 0.23 0.00 0.00 176.35 177.89 1f1d n THR 152 N -2.33 0.00 0.20 5.49 5.66 -1.04 -4.79 114.28 117.48 1f1d n THR 152 Ca 0.05 -0.76 0.02 0.00 -3.05 0.00 0.00 64.05 60.32 1f1d n THR 152 Cb 0.54 0.81 0.02 0.00 -1.55 0.00 0.00 70.33 70.15 1f1d n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56