#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c01 s ALA 2 N 0.00 0.93 0.13 -0.43 0.00 -0.97 -4.63 121.76 116.79 1c01 s ALA 2 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.12 1c01 s ALA 2 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1c01 s ALA 2 CO 0.00 0.09 -0.03 0.12 0.00 0.00 0.00 175.76 175.94 1c01 s PHE 3 N -1.34 2.86 0.02 0.00 5.36 -0.51 -1.14 117.98 123.23 1c01 s PHE 3 Ca -0.05 -0.11 -0.00 0.00 -0.96 0.00 0.00 56.93 55.81 1c01 s PHE 3 Cb -0.10 -1.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.13 1c01 s PHE 3 CO 0.01 0.48 -0.02 0.99 -1.46 0.00 0.00 175.22 175.23 1c01 s THR 4 N -1.47 0.09 0.05 0.12 2.01 -0.38 -1.36 115.64 114.72 1c01 s THR 4 Ca 0.25 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 1c01 s THR 4 Cb -0.10 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.22 1c01 s THR 4 CO 0.17 -0.43 0.46 0.68 -0.69 0.00 0.00 174.62 174.81 1c01 s VAL 5 N -1.26 0.04 0.15 3.82 -7.23 -0.20 -0.65 120.40 115.07 1c01 s VAL 5 Ca -0.14 -0.36 0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1c01 s VAL 5 Cb -0.09 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1c01 s VAL 5 CO -0.01 -0.20 -0.18 0.26 -0.31 0.00 0.00 175.10 174.66 1c01 s TRP 6 N -2.54 1.74 -0.78 2.82 0.51 -0.95 -2.20 118.94 117.54 1c01 s TRP 6 Ca -0.05 -0.48 0.26 0.00 -2.12 0.00 0.00 56.10 53.72 1c01 s TRP 6 Cb -0.01 -0.89 0.93 0.00 -0.81 0.00 0.00 33.47 32.70 1c01 s TRP 6 CO -0.03 0.28 1.80 0.43 -0.51 0.00 0.00 176.95 178.92 1c01 n SER 7 N 0.45 0.56 0.00 2.95 7.64 -1.26 -0.08 113.62 123.89 1c01 n SER 7 Ca -0.14 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1c01 n SER 7 Cb 0.56 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1c01 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c01 n GLY 8 N 1.16 4.54 0.10 0.23 0.00 -1.25 -2.89 105.19 107.07 1c01 n GLY 8 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1c01 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 h PRO 9 N 0.00 -0.10 0.00 1.61 0.13 -1.90 -3.41 132.00 128.33 1c01 h PRO 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1c01 h PRO 9 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1c01 h PRO 9 CO 0.00 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1c01 n GLY 10 N 1.08 1.56 2.63 1.56 0.00 -1.26 -4.14 105.19 106.63 1c01 n GLY 10 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1c01 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n ASN 12 N 0.37 1.44 0.00 0.00 3.02 -1.26 -5.01 115.26 113.82 1c01 n ASN 12 Ca 0.52 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 1c01 n ASN 12 Cb 0.28 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1c01 n ASN 12 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1c01 n ASN 13 N 0.03 0.00 -4.50 6.41 0.23 -1.26 -4.69 115.26 111.47 1c01 n ASN 13 Ca 0.16 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.80 1c01 n ASN 13 Cb 0.75 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.47 1c01 n ASN 13 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1c01 n ARG 14 N 0.00 0.77 -4.07 -3.83 3.00 -1.26 -4.89 116.66 106.37 1c01 n ARG 14 Ca 0.00 0.28 -0.32 0.00 -0.00 0.00 0.00 57.85 57.81 1c01 n ARG 14 Cb 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 32.46 30.61 1c01 n ARG 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1c01 s ALA 15 N -1.45 2.36 -0.14 5.13 0.00 -1.26 -3.96 121.76 122.43 1c01 s ALA 15 Ca 0.65 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1c01 s ALA 15 Cb -0.56 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1c01 s ALA 15 CO 0.57 -0.79 0.35 -2.00 0.00 0.00 0.00 175.76 173.89 1c01 s GLU 16 N 1.24 0.34 0.33 0.00 -6.30 -0.93 -5.04 118.70 108.33 1c01 s GLU 16 Ca -0.02 0.64 0.10 0.00 -2.50 0.00 0.00 54.97 53.19 1c01 s GLU 16 Cb -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 34.13 33.91 1c01 s GLU 16 CO -0.09 -0.13 -0.10 1.03 0.02 0.00 0.00 175.26 175.99 1c01 s ARG 17 N 1.05 1.84 -0.32 4.30 0.52 -1.26 -1.03 118.95 124.05 1c01 s ARG 17 Ca -0.07 -1.86 -0.02 0.00 -0.52 0.00 0.00 55.73 53.27 1c01 s ARG 17 Cb -0.07 -1.77 0.12 0.00 0.52 0.00 0.00 34.95 33.75 1c01 s ARG 17 CO -0.08 0.19 0.20 0.71 0.02 0.00 0.00 175.30 176.34 1c01 s TYR 18 N -2.56 0.29 -0.02 -0.53 2.02 -0.46 -4.98 117.35 111.10 1c01 s TYR 18 Ca 0.32 -1.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.07 1c01 s TYR 18 Cb 0.00 -0.80 -0.11 0.00 -0.40 0.00 0.00 41.96 40.65 1c01 s TYR 18 CO 0.17 -0.86 0.14 0.45 -1.57 0.00 0.00 175.55 173.88 1c01 n SER 19 N 4.76 3.21 -4.55 2.29 2.88 -1.26 -1.42 113.62 119.53 1c01 n SER 19 Ca 0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 1c01 n SER 19 Cb 0.41 1.20 0.03 0.00 -0.75 0.00 0.00 64.21 65.10 1c01 n SER 19 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1c01 n LYS 20 N -1.89 0.89 -0.69 -1.46 5.02 -1.26 -4.73 118.16 114.04 1c01 n LYS 20 Ca -0.04 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.27 1c01 n LYS 20 Cb 0.33 -1.90 0.17 0.00 -0.02 0.00 0.00 35.03 33.61 1c01 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c01 n GLY 22 N 0.22 -0.12 3.46 0.00 0.00 -0.72 -4.89 105.19 103.14 1c01 n GLY 22 Ca 0.12 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 1c01 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 s SER 24 N -3.51 -0.46 -0.42 0.00 1.04 -0.86 -4.93 113.70 104.55 1c01 s SER 24 Ca 0.33 0.85 -0.29 0.00 0.48 0.00 0.00 55.95 57.32 1c01 s SER 24 Cb 0.07 0.83 0.02 0.00 0.10 0.00 0.00 66.02 67.04 1c01 s SER 24 CO 0.15 -0.16 1.12 0.00 0.98 0.00 0.00 173.24 175.33 1c01 s ALA 25 N 0.58 3.29 0.36 5.32 0.00 -1.26 -1.77 121.76 128.28 1c01 s ALA 25 Ca -0.03 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 1c01 s ALA 25 Cb -0.05 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.16 1c01 s ALA 25 CO -0.04 -1.96 0.95 0.42 0.00 0.00 0.00 175.76 175.13 1c01 s ILE 26 N 4.16 4.28 0.00 0.00 1.01 0.62 -4.95 121.20 126.31 1c01 s ILE 26 Ca 0.47 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.82 1c01 s ILE 26 Cb -0.09 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1c01 s ILE 26 CO 0.25 -0.03 0.00 1.57 0.00 0.00 0.00 174.94 176.73 1c01 n HIS 27 N 0.11 0.00 -2.09 3.97 -0.00 -1.26 -4.77 115.22 111.18 1c01 n HIS 27 Ca 0.04 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.83 1c01 n HIS 27 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 1c01 n HIS 27 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1c01 s GLN 28 N -1.08 2.72 -1.04 1.57 1.11 -1.26 -4.88 119.66 116.80 1c01 s GLN 28 Ca 0.00 0.57 -0.06 0.00 0.01 0.00 0.00 55.36 55.88 1c01 s GLN 28 Cb 0.00 -4.36 0.02 0.00 -1.01 0.00 0.00 33.01 27.66 1c01 s GLN 28 CO 0.00 -2.63 2.74 1.63 0.01 0.00 0.00 175.29 177.04 1c01 n LYS 29 N 9.15 3.63 0.00 2.91 5.02 -1.24 -4.61 118.16 133.02 1c01 n LYS 29 Ca 0.19 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1c01 n LYS 29 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c01 n GLY 30 N 2.02 1.33 3.83 0.72 0.00 0.89 -3.91 105.19 110.06 1c01 n GLY 30 Ca 0.61 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 1c01 n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c01 s GLY 31 N -0.28 1.58 -0.21 -0.02 0.00 0.98 -3.88 107.32 105.49 1c01 s GLY 31 Ca 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 1c01 s GLY 31 CO 0.00 -1.52 0.21 -0.19 0.00 0.00 0.00 173.10 171.60 1c01 s TYR 32 N -2.22 -0.22 0.29 1.90 1.51 -0.35 -2.24 117.35 116.03 1c01 s TYR 32 Ca 0.37 0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.58 1c01 s TYR 32 Cb -0.07 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1c01 s TYR 32 CO 0.26 -0.63 0.16 0.34 -1.11 0.00 0.00 175.55 174.57 1c01 s ASP 33 N 2.30 5.08 0.07 2.29 2.15 0.18 -1.10 116.67 127.64 1c01 s ASP 33 Ca 0.07 -0.51 -0.11 0.00 0.43 0.00 0.00 52.55 52.43 1c01 s ASP 33 Cb -0.16 -1.04 0.01 0.00 -0.30 0.00 0.00 42.92 41.44 1c01 s ASP 33 CO -0.15 -0.16 0.25 0.12 -0.17 0.00 0.00 175.17 175.06 1c01 s PHE 34 N -2.28 0.02 -0.27 -5.34 5.36 0.15 -1.25 117.98 114.38 1c01 s PHE 34 Ca 0.35 -0.32 -0.02 0.00 -0.96 0.00 0.00 56.93 55.99 1c01 s PHE 34 Cb -0.06 0.03 0.12 0.00 -0.34 0.00 0.00 43.02 42.78 1c01 s PHE 34 CO 0.24 -0.54 0.28 0.45 -1.46 0.00 0.00 175.22 174.19 1c01 s SER 35 N -2.51 1.59 0.48 6.13 0.15 -0.29 -1.15 113.70 118.09 1c01 s SER 35 Ca 0.00 -0.58 -0.19 0.00 0.70 0.00 0.00 55.95 55.88 1c01 s SER 35 Cb 0.02 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1c01 s SER 35 CO -0.08 -0.37 0.98 -0.47 1.20 0.00 0.00 173.24 174.50 1c01 s TYR 36 N 2.36 3.30 -0.35 3.44 6.14 -1.26 -2.30 117.35 128.67 1c01 s TYR 36 Ca 0.09 1.55 -0.03 0.00 0.64 0.00 0.00 57.07 59.32 1c01 s TYR 36 Cb -0.15 -2.87 0.25 0.00 0.42 0.00 0.00 41.96 39.62 1c01 s TYR 36 CO -0.27 -0.35 1.15 -2.37 0.64 0.00 0.00 175.55 174.36 1c01 n THR 37 N -1.08 0.00 0.00 4.34 5.66 -1.26 -4.64 114.28 117.30 1c01 n THR 37 Ca 0.07 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1c01 n THR 37 Cb 0.54 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1c01 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1c01 n GLY 38 N 1.90 1.49 3.68 1.09 0.00 -1.26 -4.35 105.19 107.74 1c01 n GLY 38 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1c01 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c01 s GLN 39 N 0.00 4.25 0.59 1.61 1.11 -1.26 -5.04 119.66 120.93 1c01 s GLN 39 Ca 0.00 0.57 -0.06 0.00 0.01 0.00 0.00 55.36 55.88 1c01 s GLN 39 Cb 0.00 -3.53 0.00 0.00 -1.01 0.00 0.00 33.01 28.47 1c01 s GLN 39 CO 0.00 -0.12 0.91 0.99 0.01 0.00 0.00 175.29 177.09 1c01 s THR 40 N 1.50 3.79 -0.05 -0.19 2.01 -1.26 -4.57 115.64 116.87 1c01 s THR 40 Ca 0.28 0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 1c01 s THR 40 Cb -0.16 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1c01 s THR 40 CO 0.11 -0.54 0.42 0.00 -0.69 0.00 0.00 174.62 173.92 1c01 s ALA 41 N -3.01 -1.06 -0.01 7.40 0.00 -1.22 -1.92 121.76 121.95 1c01 s ALA 41 Ca 0.54 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1c01 s ALA 41 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1c01 s ALA 41 CO 0.46 -0.28 0.13 0.00 0.00 0.00 0.00 175.76 176.08 1c01 s ALA 42 N -1.05 -0.32 0.48 0.00 0.00 -0.53 -0.57 121.76 119.77 1c01 s ALA 42 Ca -0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 1c01 s ALA 42 Cb -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1c01 s ALA 42 CO 0.05 -0.19 0.79 -0.51 0.00 0.00 0.00 175.76 175.90 1c01 s LEU 43 N -1.18 3.63 -0.13 0.00 2.01 -0.44 -1.24 118.68 121.32 1c01 s LEU 43 Ca -0.13 0.95 -0.03 0.00 0.01 0.00 0.00 54.13 54.93 1c01 s LEU 43 Cb -0.07 -3.90 0.05 0.00 0.01 0.00 0.00 46.19 42.28 1c01 s LEU 43 CO 0.01 -0.57 0.06 -0.31 1.01 0.00 0.00 176.35 176.55 1c01 s TYR 44 N -2.73 0.45 -0.11 0.29 1.51 -0.51 -1.47 117.35 114.78 1c01 s TYR 44 Ca 0.48 -0.30 0.16 0.00 -1.01 0.00 0.00 57.07 56.40 1c01 s TYR 44 Cb -0.10 -0.75 0.88 0.00 -0.11 0.00 0.00 41.96 41.88 1c01 s TYR 44 CO 0.44 -0.44 1.43 -1.71 -1.11 0.00 0.00 175.55 174.17 1c01 n ASN 45 N 5.21 0.42 -4.25 2.29 5.15 -1.26 -1.37 115.26 121.44 1c01 n ASN 45 Ca -0.07 0.64 -0.32 0.00 -0.60 0.00 0.00 54.58 54.23 1c01 n ASN 45 Cb 0.49 -0.64 -0.17 0.00 -0.53 0.00 0.00 39.78 38.94 1c01 n ASN 45 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c01 s GLN 46 N -3.39 2.88 0.56 1.20 0.00 -1.26 -3.79 119.66 115.85 1c01 s GLN 46 Ca -0.02 -0.87 -0.18 0.00 -0.00 0.00 0.00 55.36 54.29 1c01 s GLN 46 Cb 0.05 -2.27 -0.12 0.00 0.00 0.00 0.00 33.01 30.66 1c01 s GLN 46 CO 0.15 0.26 0.13 0.00 0.00 0.00 0.00 175.29 175.83 1c01 n ALA 47 N 3.29 -2.36 -3.06 2.60 0.00 -1.26 -2.47 120.51 117.24 1c01 n ALA 47 Ca -0.18 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1c01 n ALA 47 Cb 0.53 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1c01 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c01 n GLY 48 N 2.23 -0.50 4.32 0.00 0.00 -1.26 -2.30 105.19 107.69 1c01 n GLY 48 Ca 0.09 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1c01 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n SER 50 N -2.50 5.42 0.00 0.00 7.64 -0.97 -4.81 113.62 118.39 1c01 n SER 50 Ca -0.09 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1c01 n SER 50 Cb 0.54 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1c01 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c01 n GLY 51 N 0.59 3.42 3.86 0.23 0.00 -1.26 -4.98 105.19 107.04 1c01 n GLY 51 Ca 0.19 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1c01 n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c01 s VAL 52 N -0.55 4.74 1.09 1.61 1.01 -1.26 -5.09 120.40 121.95 1c01 s VAL 52 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1c01 s VAL 52 Cb 0.00 -3.49 0.24 0.00 0.00 0.00 0.00 36.38 33.13 1c01 s VAL 52 CO 0.00 -0.21 1.16 0.00 0.00 0.00 0.00 175.10 176.05 1c01 s ALA 53 N -1.90 1.15 0.30 5.51 0.00 -1.26 -4.38 121.76 121.17 1c01 s ALA 53 Ca 0.33 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1c01 s ALA 53 Cb -0.09 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1c01 s ALA 53 CO 0.26 -3.08 0.00 0.72 0.00 0.00 0.00 175.76 173.66 1c01 n HIS 54 N -4.34 -2.71 -4.07 0.00 8.25 -0.54 -4.92 115.22 106.88 1c01 n HIS 54 Ca 0.12 0.58 -0.32 0.00 -0.26 0.00 0.00 57.72 57.84 1c01 n HIS 54 Cb 0.59 1.06 -0.15 0.00 1.12 0.00 0.00 29.99 32.61 1c01 n HIS 54 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1c01 s THR 55 N -2.00 2.14 0.39 1.59 2.01 -1.26 -4.94 115.64 113.57 1c01 s THR 55 Ca 0.00 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.49 1c01 s THR 55 Cb 0.00 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1c01 s THR 55 CO 0.00 0.05 0.59 -0.60 -0.69 0.00 0.00 174.62 173.97 1c01 s ARG 56 N 1.13 3.17 0.02 4.92 3.52 -1.26 -1.33 118.95 129.12 1c01 s ARG 56 Ca -0.07 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1c01 s ARG 56 Cb -0.19 -2.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1c01 s ARG 56 CO -0.06 -0.08 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.28 1c01 s PHE 57 N -2.40 0.22 0.00 5.12 0.08 0.26 -4.96 117.98 116.31 1c01 s PHE 57 Ca 0.45 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1c01 s PHE 57 Cb -0.10 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 1c01 s PHE 57 CO 0.36 -0.20 0.08 0.41 -0.10 0.00 0.00 175.22 175.76 1c01 n GLY 58 N 1.62 0.60 3.25 4.36 0.00 -1.26 -3.37 105.19 110.38 1c01 n GLY 58 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1c01 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 s SER 59 N -0.17 -0.19 -0.35 1.61 0.01 -1.26 -4.83 113.70 108.52 1c01 s SER 59 Ca 0.00 0.05 -0.42 0.00 1.31 0.00 0.00 55.95 56.89 1c01 s SER 59 Cb 0.00 0.32 -0.17 0.00 0.21 0.00 0.00 66.02 66.39 1c01 s SER 59 CO 0.00 -0.48 1.74 -1.54 0.41 0.00 0.00 173.24 173.37 1c01 n SER 60 N 1.15 2.01 -3.95 2.44 3.41 -1.26 -4.51 113.62 112.91 1c01 n SER 60 Ca -0.21 1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 59.16 1c01 n SER 60 Cb 0.57 -1.07 -0.14 0.00 -0.26 0.00 0.00 64.21 63.31 1c01 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c01 s ALA 61 N 3.65 3.17 -1.43 7.33 0.00 -0.30 -4.89 121.76 129.30 1c01 s ALA 61 Ca 1.02 -3.10 -0.12 0.00 0.00 0.00 0.00 51.96 49.76 1c01 s ALA 61 Cb -1.20 -2.11 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1c01 s ALA 61 CO 0.70 -1.96 2.24 2.89 0.00 0.00 0.00 175.76 179.63 1c01 n ARG 62 N 3.35 3.24 -2.36 0.00 1.85 -1.26 -0.67 116.66 120.82 1c01 n ARG 62 Ca 0.05 -2.84 -0.29 0.00 -1.00 0.00 0.00 57.85 53.77 1c01 n ARG 62 Cb 0.34 -3.10 -0.00 0.00 -1.05 0.00 0.00 32.46 28.65 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c01 s ALA 63 N 2.12 3.26 -0.01 2.89 0.00 -0.25 -4.86 121.76 124.91 1c01 s ALA 63 Ca 0.48 -0.28 0.18 0.00 0.00 0.00 0.00 51.96 52.35 1c01 s ALA 63 Cb 0.14 -2.82 0.31 0.00 0.00 0.00 0.00 23.12 20.75 1c01 s ALA 63 CO -0.06 -0.44 1.13 0.00 0.00 0.00 0.00 175.76 176.39 1c01 s ASN 65 N -1.79 5.46 1.09 0.00 0.01 -1.26 -4.15 114.94 114.30 1c01 s ASN 65 Ca 0.25 0.93 -0.17 0.00 -0.71 0.00 0.00 52.86 53.16 1c01 s ASN 65 Cb 0.28 -1.79 0.11 0.00 0.41 0.00 0.00 41.25 40.26 1c01 s ASN 65 CO -0.12 -1.25 0.20 -2.65 -1.51 0.00 0.00 177.10 171.77 1c01 n PRO 66 N -2.84 -1.40 -1.05 -0.60 -0.02 -1.25 -4.25 135.00 123.58 1c01 n PRO 66 Ca 0.06 -0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 60.85 1c01 n PRO 66 Cb 0.58 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.50 1c01 n PRO 66 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1c01 s PHE 67 N -2.29 0.57 0.00 6.00 2.19 -1.26 -4.96 117.98 118.23 1c01 s PHE 67 Ca 0.58 0.54 0.00 0.00 0.33 0.00 0.00 56.93 58.38 1c01 s PHE 67 Cb -0.15 -3.41 0.00 0.00 -1.31 0.00 0.00 43.02 38.15 1c01 s PHE 67 CO 0.66 -3.86 0.00 0.41 1.83 0.00 0.00 175.22 174.26 1c01 n GLY 68 N -0.83 1.00 0.00 13.12 0.00 -1.26 -5.14 105.19 112.08 1c01 n GLY 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1c01 n GLY 68 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c01 n TRP 69 N 0.00 -0.01 0.00 1.61 8.01 -1.26 -4.80 117.44 120.99 1c01 n TRP 69 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1c01 n TRP 69 Cb 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 1c01 n TRP 69 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1c01 n LYS 70 N 0.00 0.00 -4.46 -0.99 3.00 -0.51 -4.87 118.16 110.32 1c01 n LYS 70 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1c01 n LYS 70 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 35.03 34.43 1c01 n LYS 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1c01 s SER 71 N -4.39 2.93 -0.10 3.14 1.04 -0.47 -0.28 113.70 115.58 1c01 s SER 71 Ca 0.00 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.21 1c01 s SER 71 Cb 0.00 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1c01 s SER 71 CO 0.00 -0.37 -0.14 -0.51 0.98 0.00 0.00 173.24 173.20 1c01 s ILE 72 N -2.97 1.36 -0.04 -1.02 1.10 -0.73 -1.43 121.20 117.47 1c01 s ILE 72 Ca 0.31 -0.57 -0.01 0.00 -0.51 0.00 0.00 60.65 59.88 1c01 s ILE 72 Cb 0.05 -1.26 -0.04 0.00 0.15 0.00 0.00 42.46 41.37 1c01 s ILE 72 CO 0.14 0.41 0.03 0.12 -2.11 0.00 0.00 174.94 173.53 1c01 s PHE 73 N 0.96 3.20 -0.12 3.50 2.19 -0.37 -2.04 117.98 125.30 1c01 s PHE 73 Ca -0.08 0.18 -0.04 0.00 0.33 0.00 0.00 56.93 57.33 1c01 s PHE 73 Cb -0.15 -1.75 0.06 0.00 -1.31 0.00 0.00 43.02 39.87 1c01 s PHE 73 CO -0.01 0.51 0.17 0.42 1.83 0.00 0.00 175.22 178.14 1c01 s ILE 74 N -1.05 -0.26 0.75 3.12 1.01 -0.07 -1.45 121.20 123.24 1c01 s ILE 74 Ca 0.18 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 1c01 s ILE 74 Cb -0.12 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 42.00 1c01 s ILE 74 CO 0.08 0.04 1.08 0.00 0.00 0.00 0.00 174.94 176.14 1c01 s GLN 75 N 2.29 2.51 0.00 2.79 -2.07 -0.81 -1.76 119.66 122.61 1c01 s GLN 75 Ca 0.04 0.81 0.00 0.00 -1.82 0.00 0.00 55.36 54.39 1c01 s GLN 75 Cb -0.13 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.84 1c01 s GLN 75 CO -0.07 -1.37 0.00 0.00 -1.32 0.00 0.00 175.29 172.53