#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a21 n GLY 5 N 0.00 1.83 3.59 3.38 0.00 -1.26 -4.94 105.19 107.79 1a21 n GLY 5 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1a21 n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a21 n ARG 6 N -0.49 1.38 -2.31 1.61 1.74 -1.26 -4.89 116.66 112.44 1a21 n ARG 6 Ca 0.00 0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 57.26 1a21 n ARG 6 Cb 0.00 -1.87 -0.01 0.00 -1.02 0.00 0.00 32.46 29.55 1a21 n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a21 s ALA 7 N -1.09 3.17 0.15 7.54 0.00 -1.26 -4.78 121.76 125.50 1a21 s ALA 7 Ca 0.59 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1a21 s ALA 7 Cb -0.68 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1a21 s ALA 7 CO 0.60 -0.38 0.17 1.52 0.00 0.00 0.00 175.76 177.67 1a21 s TYR 8 N -2.81 0.65 -0.75 0.00 1.13 0.75 -4.76 117.35 111.56 1a21 s TYR 8 Ca 0.55 -1.01 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 1a21 s TYR 8 Cb -0.10 -0.27 0.01 0.00 -1.10 0.00 0.00 41.96 40.49 1a21 s TYR 8 CO 0.42 -0.63 0.62 0.09 -2.51 0.00 0.00 175.55 173.53 1a21 n ASN 9 N -0.16 -4.37 -4.63 -0.18 4.13 -1.26 -0.15 115.26 108.64 1a21 n ASN 9 Ca -0.06 -0.28 -0.43 0.00 1.68 0.00 0.00 54.58 55.49 1a21 n ASN 9 Cb 0.63 -2.98 -0.02 0.00 -1.54 0.00 0.00 39.78 35.87 1a21 n ASN 9 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1a21 s LEU 10 N -4.39 3.88 0.03 3.41 1.43 -1.26 -4.20 118.68 117.58 1a21 s LEU 10 Ca 0.31 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1a21 s LEU 10 Cb -0.13 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1a21 s LEU 10 CO 0.38 -1.24 -0.07 0.42 0.23 0.00 0.00 176.35 176.06 1a21 s THR 11 N 5.12 0.52 -0.02 5.49 -4.23 -0.36 -4.57 115.64 117.59 1a21 s THR 11 Ca 0.69 -0.84 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1a21 s THR 11 Cb -0.23 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.00 1a21 s THR 11 CO 0.28 -0.23 0.44 0.26 -0.54 0.00 0.00 174.62 174.84 1a21 s TRP 12 N -1.01 3.68 -0.22 3.99 0.52 -1.26 -1.44 118.94 123.20 1a21 s TRP 12 Ca -0.06 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.07 1a21 s TRP 12 Cb -0.08 -2.38 0.05 0.00 -1.15 0.00 0.00 33.47 29.91 1a21 s TRP 12 CO 0.00 0.52 -0.12 0.15 0.02 0.00 0.00 176.95 177.52 1a21 s LYS 13 N -0.65 2.23 -0.07 4.98 -0.14 0.77 -5.00 119.74 121.87 1a21 s LYS 13 Ca 0.25 -1.05 -0.05 0.00 -1.36 0.00 0.00 55.97 53.76 1a21 s LYS 13 Cb -0.17 -2.64 0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1a21 s LYS 13 CO 0.13 -0.46 0.17 0.45 -0.76 0.00 0.00 175.35 174.88 1a21 s SER 14 N 1.27 -0.16 -0.18 2.83 0.15 -1.26 -0.59 113.70 115.75 1a21 s SER 14 Ca -0.04 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 1a21 s SER 14 Cb -0.17 0.30 0.08 0.00 -1.71 0.00 0.00 66.02 64.51 1a21 s SER 14 CO -0.08 -0.10 0.38 -0.89 1.20 0.00 0.00 173.24 173.75 1a21 s THR 15 N 0.60 -0.47 -1.65 6.45 2.01 -0.97 -1.72 115.64 119.89 1a21 s THR 15 Ca -0.04 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1a21 s THR 15 Cb -0.06 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1a21 s THR 15 CO -0.03 0.07 0.00 0.59 -0.69 0.00 0.00 174.62 174.56 1a21 n ASN 16 N 5.13 -5.52 0.00 3.53 4.13 -0.33 -2.03 115.26 120.17 1a21 n ASN 16 Ca -0.11 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1a21 n ASN 16 Cb 0.51 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1a21 n ASN 16 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a21 n PHE 17 N -3.86 0.00 -2.36 3.10 3.72 -1.26 -4.57 117.46 112.22 1a21 n PHE 17 Ca -0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.75 1a21 n PHE 17 Cb 0.67 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1a21 n PHE 17 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1a21 s LYS 18 N -0.15 3.51 -0.09 -1.08 2.47 -0.86 -4.78 119.74 118.75 1a21 s LYS 18 Ca 0.00 0.82 0.04 0.00 -1.56 0.00 0.00 55.97 55.27 1a21 s LYS 18 Cb 0.00 -4.05 -0.00 0.00 -1.46 0.00 0.00 37.83 32.32 1a21 s LYS 18 CO 0.00 -1.66 -0.23 0.99 0.16 0.00 0.00 175.35 174.61 1a21 s THR 19 N 5.59 2.18 -0.01 3.43 2.01 -1.26 -2.29 115.64 125.29 1a21 s THR 19 Ca 0.59 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1a21 s THR 19 Cb -0.13 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1a21 s THR 19 CO 0.31 0.56 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.13 1a21 s ILE 20 N 0.22 0.31 -0.13 1.82 1.01 0.24 -0.71 121.20 123.97 1a21 s ILE 20 Ca -0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1a21 s ILE 20 Cb -0.17 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1a21 s ILE 20 CO 0.07 0.10 0.15 -0.22 0.00 0.00 0.00 174.94 175.05 1a21 s LEU 21 N 0.07 4.36 0.09 2.97 2.96 -0.20 -0.16 118.68 128.77 1a21 s LEU 21 Ca -0.00 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 1a21 s LEU 21 Cb -0.03 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1a21 s LEU 21 CO -0.00 0.36 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.65 1a21 s GLU 22 N -0.76 0.89 0.16 1.98 2.02 -0.52 -0.73 118.70 121.73 1a21 s GLU 22 Ca 0.14 -1.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 1a21 s GLU 22 Cb -0.12 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.34 1a21 s GLU 22 CO 0.03 0.16 0.28 -2.67 0.02 0.00 0.00 175.26 173.09 1a21 n TRP 23 N 0.89 -1.34 -4.12 1.61 2.14 -0.74 -1.22 117.44 114.66 1a21 n TRP 23 Ca -0.18 -0.82 -0.08 0.00 2.07 0.00 0.00 57.50 58.48 1a21 n TRP 23 Cb 0.56 0.33 -0.10 0.00 -0.81 0.00 0.00 31.31 31.29 1a21 n TRP 23 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1a21 s GLU 24 N -2.12 0.69 0.29 -2.67 2.02 0.79 -4.80 118.70 112.89 1a21 s GLU 24 Ca 0.08 -1.24 0.06 0.00 0.02 0.00 0.00 54.97 53.89 1a21 s GLU 24 Cb -0.02 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.24 1a21 s GLU 24 CO 0.06 -0.07 0.38 -1.25 0.02 0.00 0.00 175.26 174.40 1a21 s PRO 25 N -3.80 3.17 0.06 0.39 0.04 -1.26 -0.18 135.00 133.42 1a21 s PRO 25 Ca 0.08 -0.95 -0.31 0.00 0.04 0.00 0.00 61.00 59.86 1a21 s PRO 25 Cb 0.06 -2.78 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 1a21 s PRO 25 CO -0.08 0.23 1.39 0.21 0.04 0.00 0.00 177.00 178.80 1a21 s LYS 26 N -4.05 4.31 0.08 4.56 2.47 -1.26 -4.99 119.74 120.86 1a21 s LYS 26 Ca 0.39 2.02 0.04 0.00 -1.56 0.00 0.00 55.97 56.85 1a21 s LYS 26 Cb -0.09 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 1a21 s LYS 26 CO 0.29 -0.49 -0.10 0.45 0.16 0.00 0.00 175.35 175.66 1a21 s SER 27 N 1.48 1.36 -0.01 1.43 0.15 -1.26 -5.00 113.70 111.85 1a21 s SER 27 Ca 0.64 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.66 1a21 s SER 27 Cb -0.34 0.01 -0.16 0.00 -1.71 0.00 0.00 66.02 63.82 1a21 s SER 27 CO 0.29 -0.23 0.34 0.00 1.20 0.00 0.00 173.24 174.84 1a21 n ILE 28 N 0.81 0.00 0.08 6.45 3.06 -1.26 -4.53 119.36 123.97 1a21 n ILE 28 Ca -0.18 -0.25 0.08 0.00 -2.50 0.00 0.00 62.75 59.90 1a21 n ILE 28 Cb 0.57 0.54 -0.02 0.00 0.54 0.00 0.00 39.64 41.27 1a21 n ILE 28 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1a21 h ASP 29 N 0.00 0.00 -4.39 9.51 5.19 -1.98 -3.45 116.42 121.29 1a21 h ASP 29 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 1a21 h ASP 29 Cb 0.42 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.77 1a21 h ASP 29 CO 0.00 0.19 -0.71 -1.00 -3.12 0.00 0.00 179.24 174.59 1a21 s HIS 30 N -3.22 1.02 0.22 4.55 3.76 -1.26 -0.86 115.29 119.50 1a21 s HIS 30 Ca -0.01 -0.77 0.10 0.00 -0.15 0.00 0.00 55.06 54.23 1a21 s HIS 30 Cb 0.09 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 33.18 1a21 s HIS 30 CO 0.79 -0.04 -0.19 0.14 -0.85 0.00 0.00 174.74 174.59 1a21 s VAL 31 N -3.04 2.14 -0.01 -0.90 -7.23 -0.33 -4.75 120.40 106.27 1a21 s VAL 31 Ca 0.10 -2.20 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1a21 s VAL 31 Cb 0.01 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1a21 s VAL 31 CO -0.02 -0.39 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.89 1a21 s TYR 32 N -2.39 1.68 -0.11 2.82 2.02 0.18 -1.11 117.35 120.44 1a21 s TYR 32 Ca 0.24 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1a21 s TYR 32 Cb -0.05 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1a21 s TYR 32 CO 0.10 -0.03 -0.16 0.99 -1.57 0.00 0.00 175.55 174.88 1a21 s THR 33 N -0.44 2.77 -0.15 -0.71 2.01 0.28 -1.14 115.64 118.26 1a21 s THR 33 Ca 0.07 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1a21 s THR 33 Cb -0.07 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1a21 s THR 33 CO -0.01 0.54 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 1a21 s VAL 34 N 0.20 3.99 0.17 3.82 1.01 -0.44 -0.62 120.40 128.53 1a21 s VAL 34 Ca -0.10 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1a21 s VAL 34 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1a21 s VAL 34 CO 0.06 0.50 -0.19 -1.10 0.00 0.00 0.00 175.10 174.36 1a21 s GLN 35 N 0.30 1.30 0.10 2.72 -0.21 -0.89 -1.22 119.66 121.77 1a21 s GLN 35 Ca -0.03 -1.41 0.06 0.00 0.02 0.00 0.00 55.36 54.00 1a21 s GLN 35 Cb -0.14 -1.41 -0.03 0.00 1.00 0.00 0.00 33.01 32.43 1a21 s GLN 35 CO 0.03 0.29 -0.14 -1.50 -2.12 0.00 0.00 175.29 171.84 1a21 s ILE 36 N -1.95 1.24 0.17 1.08 2.07 -0.74 -1.56 121.20 121.52 1a21 s ILE 36 Ca 0.16 -1.54 -0.21 0.00 -1.41 0.00 0.00 60.65 57.65 1a21 s ILE 36 Cb -0.06 -1.34 0.05 0.00 0.13 0.00 0.00 42.46 41.24 1a21 s ILE 36 CO 0.07 -0.33 0.57 -0.94 -1.91 0.00 0.00 174.94 172.40 1a21 s SER 37 N -2.14 -0.43 0.19 4.50 1.04 -0.41 -2.10 113.70 114.36 1a21 s SER 37 Ca 0.04 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1a21 s SER 37 Cb -0.07 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1a21 s SER 37 CO 0.03 -1.00 0.10 0.35 0.98 0.00 0.00 173.24 173.69 1a21 n THR 38 N -0.35 0.00 0.86 2.02 -2.24 -0.57 -1.93 114.28 112.06 1a21 n THR 38 Ca -0.14 -1.19 0.12 0.00 -2.27 0.00 0.00 64.05 60.57 1a21 n THR 38 Cb 0.64 0.49 0.54 0.00 -2.10 0.00 0.00 70.33 69.90 1a21 n THR 38 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a21 n ARG 39 N -0.40 0.02 -0.06 -0.78 3.00 -1.26 -3.06 116.66 114.12 1a21 n ARG 39 Ca -0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 57.85 57.90 1a21 n ARG 39 Cb 0.30 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 31.10 1a21 n ARG 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a21 n LEU 40 N -1.56 0.00 -4.02 6.15 4.77 -1.26 -5.01 117.00 116.08 1a21 n LEU 40 Ca 0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1a21 n LEU 40 Cb 0.31 0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1a21 n LEU 40 CO 0.24 0.27 -0.45 -1.61 -1.33 0.00 0.00 177.39 174.52 1a21 s GLU 41 N -2.77 1.07 0.74 3.23 0.41 -1.17 -5.15 118.70 115.06 1a21 s GLU 41 Ca -0.08 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 1a21 s GLU 41 Cb 0.08 -0.99 0.04 0.00 -1.78 0.00 0.00 34.13 31.47 1a21 s GLU 41 CO 0.75 0.13 1.07 -0.80 -0.49 0.00 0.00 175.26 175.93 1a21 s ASN 42 N 0.16 4.94 0.15 -0.19 0.01 -1.26 -1.52 114.94 117.23 1a21 s ASN 42 Ca -0.03 1.59 -0.33 0.00 -0.71 0.00 0.00 52.86 53.38 1a21 s ASN 42 Cb -0.09 -2.40 -0.17 0.00 0.41 0.00 0.00 41.25 39.01 1a21 s ASN 42 CO 0.01 -1.72 1.05 0.79 -1.51 0.00 0.00 177.10 175.71 1a21 n TRP 43 N -3.31 0.91 -3.76 2.20 7.02 -1.26 -4.72 117.44 114.53 1a21 n TRP 43 Ca 0.08 0.79 -0.15 0.00 -1.02 0.00 0.00 57.50 57.20 1a21 n TRP 43 Cb 0.54 -2.20 -0.16 0.00 -2.42 0.00 0.00 31.31 27.08 1a21 n TRP 43 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1a21 s LYS 44 N -0.44 -0.01 0.22 -0.99 2.20 -0.89 -4.93 119.74 114.91 1a21 s LYS 44 Ca 0.74 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 1a21 s LYS 44 Cb -0.93 -0.24 -0.09 0.00 -1.51 0.00 0.00 37.83 35.06 1a21 s LYS 44 CO 0.54 -0.18 1.19 -1.12 -0.36 0.00 0.00 175.35 175.42 1a21 s SER 45 N 1.17 7.10 0.03 1.43 0.01 -1.26 -1.79 113.70 120.38 1a21 s SER 45 Ca -0.08 2.28 -0.02 0.00 1.31 0.00 0.00 55.95 59.44 1a21 s SER 45 Cb -0.13 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1a21 s SER 45 CO -0.04 -0.33 -0.04 0.29 0.41 0.00 0.00 173.24 173.53 1a21 n LYS 46 N 2.07 0.06 -3.48 12.44 4.76 -0.35 -4.98 118.16 128.68 1a21 n LYS 46 Ca 0.03 0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.12 1a21 n LYS 46 Cb 0.44 -0.61 -0.08 0.00 -1.84 0.00 0.00 35.03 32.94 1a21 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a21 s PHE 48 N 1.27 3.11 -1.24 0.00 0.08 -1.26 -1.33 117.98 118.61 1a21 s PHE 48 Ca 0.15 -0.83 -0.26 0.00 0.12 0.00 0.00 56.93 56.11 1a21 s PHE 48 Cb -0.14 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1a21 s PHE 48 CO 0.07 -0.52 0.63 1.28 -0.10 0.00 0.00 175.22 176.58 1a21 n LEU 49 N 4.88 -1.04 -4.95 -0.37 4.77 -1.12 -4.97 117.00 114.20 1a21 n LEU 49 Ca -0.15 -1.22 -0.23 0.00 -0.03 0.00 0.00 56.01 54.38 1a21 n LEU 49 Cb 0.49 -1.84 -0.01 0.00 -2.33 0.00 0.00 43.42 39.73 1a21 n LEU 49 CO 0.31 0.68 0.11 0.28 -1.33 0.00 0.00 177.39 177.45 1a21 s THR 50 N -3.62 5.15 -1.33 -5.08 -1.32 -0.29 -4.64 115.64 104.51 1a21 s THR 50 Ca 0.42 -0.60 0.17 0.00 -1.21 0.00 0.00 61.69 60.47 1a21 s THR 50 Cb -0.21 -3.86 -0.07 0.00 -1.51 0.00 0.00 72.50 66.85 1a21 s THR 50 CO 0.94 -0.49 0.84 0.00 -2.21 0.00 0.00 174.62 173.71 1a21 n ALA 51 N -1.65 3.61 -1.27 11.08 0.00 -1.26 0.52 120.51 131.54 1a21 n ALA 51 Ca -0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1a21 n ALA 51 Cb 0.56 -0.62 0.16 0.00 0.00 0.00 0.00 19.45 19.56 1a21 n ALA 51 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a21 s GLU 52 N -2.25 0.67 -0.24 0.00 0.41 -1.26 -4.67 118.70 111.36 1a21 s GLU 52 Ca 0.12 0.47 0.11 0.00 -0.41 0.00 0.00 54.97 55.26 1a21 s GLU 52 Cb 0.14 -1.77 0.44 0.00 -1.78 0.00 0.00 34.13 31.16 1a21 s GLU 52 CO 0.54 -2.56 1.20 0.25 -0.49 0.00 0.00 175.26 174.20 1a21 n THR 53 N -4.05 2.19 -3.57 3.63 -2.24 -1.26 -4.86 114.28 104.12 1a21 n THR 53 Ca 0.06 -3.54 -0.17 0.00 -2.27 0.00 0.00 64.05 58.13 1a21 n THR 53 Cb 0.58 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1a21 n THR 53 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1a21 s GLU 54 N -3.26 0.97 -0.03 -0.78 -1.05 -1.26 -1.78 118.70 111.50 1a21 s GLU 54 Ca 0.43 0.29 -0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1a21 s GLU 54 Cb 0.39 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.56 1a21 s GLU 54 CO -0.03 -0.28 0.05 0.00 0.95 0.00 0.00 175.26 175.96 1a21 s ASP 56 N 1.46 6.88 -0.05 0.00 2.15 -1.26 -1.04 116.67 124.81 1a21 s ASP 56 Ca -0.04 1.14 0.11 0.00 0.43 0.00 0.00 52.55 54.19 1a21 s ASP 56 Cb -0.13 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.25 1a21 s ASP 56 CO -0.03 -0.91 1.24 0.18 -0.17 0.00 0.00 175.17 175.47 1a21 n LEU 57 N 7.00 2.93 -0.25 -1.34 4.77 0.12 -4.78 117.00 125.46 1a21 n LEU 57 Ca 0.13 -2.29 0.02 0.00 -0.03 0.00 0.00 56.01 53.84 1a21 n LEU 57 Cb 0.47 -0.27 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1a21 n LEU 57 CO 0.60 0.68 0.76 0.74 -1.33 0.00 0.00 177.39 178.83 1a21 h THR 58 N 1.48 0.31 0.00 -5.08 2.02 -1.79 -1.21 112.91 108.65 1a21 h THR 58 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1a21 h THR 58 Cb 0.86 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1a21 h THR 58 CO 0.05 0.01 -0.10 -2.24 0.37 0.00 0.00 175.52 173.61 1a21 h ASP 59 N 0.03 0.00 0.11 4.18 3.04 -1.91 -2.49 116.42 119.38 1a21 h ASP 59 Ca 0.36 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.98 1a21 h ASP 59 Cb 0.59 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.89 1a21 h ASP 59 CO -0.70 0.10 -0.78 -0.08 -2.04 0.00 0.00 179.24 175.74 1a21 h GLU 60 N 0.00 0.24 0.00 4.15 4.57 -1.60 -3.34 114.58 118.60 1a21 h GLU 60 Ca -0.00 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 1a21 h GLU 60 Cb 0.27 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1a21 h GLU 60 CO 0.01 1.19 -0.14 -0.39 -1.18 0.00 0.00 179.01 178.51 1a21 h VAL 61 N -0.48 0.54 -0.00 0.32 -1.51 -1.27 -2.92 116.25 110.93 1a21 h VAL 61 Ca -0.15 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1a21 h VAL 61 Cb 1.55 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1a21 h VAL 61 CO 0.10 0.14 -0.03 1.33 -1.23 0.00 0.00 177.57 177.89 1a21 n VAL 62 N -3.56 0.00 -0.18 7.19 0.24 -0.95 -3.09 118.33 117.97 1a21 n VAL 62 Ca -0.01 -0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.35 1a21 n VAL 62 Cb 0.28 -0.41 0.37 0.00 -1.47 0.00 0.00 33.84 32.61 1a21 n VAL 62 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1a21 h LYS 63 N 0.12 0.70 -0.71 7.34 6.56 -1.65 -3.39 116.57 125.54 1a21 h LYS 63 Ca 0.00 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.65 1a21 h LYS 63 Cb 0.28 -0.16 -0.20 0.00 -0.57 0.00 0.00 32.23 31.58 1a21 h LYS 63 CO 0.00 0.46 -0.23 0.34 -2.06 0.00 0.00 179.45 177.96 1a21 s ASP 64 N -6.16 -1.15 0.00 0.86 -1.08 -1.20 -5.04 116.67 102.90 1a21 s ASP 64 Ca -0.10 0.16 0.11 0.00 -0.52 0.00 0.00 52.55 52.20 1a21 s ASP 64 Cb 0.20 1.74 0.63 0.00 -1.46 0.00 0.00 42.92 44.03 1a21 s ASP 64 CO 0.77 -0.21 1.18 1.33 0.52 0.00 0.00 175.17 178.76 1a21 n VAL 65 N 5.30 0.30 0.90 1.11 0.24 -1.18 -2.37 118.33 122.64 1a21 n VAL 65 Ca 0.06 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 1a21 n VAL 65 Cb 0.55 -0.89 0.16 0.00 -1.47 0.00 0.00 33.84 32.19 1a21 n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a21 n GLY 66 N -0.31 -1.23 3.88 7.63 0.00 -1.26 -1.84 105.19 112.07 1a21 n GLY 66 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1a21 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a21 s GLN 67 N -3.04 3.71 -0.21 1.61 -1.52 -1.00 -4.97 119.66 114.24 1a21 s GLN 67 Ca 0.09 0.46 -0.14 0.00 -1.95 0.00 0.00 55.36 53.83 1a21 s GLN 67 Cb 0.16 -2.34 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 1a21 s GLN 67 CO 0.74 -0.15 0.30 0.99 -0.25 0.00 0.00 175.29 176.92 1a21 s THR 68 N -2.56 5.27 0.18 -0.19 2.01 -1.26 -4.25 115.64 114.83 1a21 s THR 68 Ca 0.51 0.50 0.08 0.00 0.31 0.00 0.00 61.69 63.09 1a21 s THR 68 Cb -0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1a21 s THR 68 CO 0.37 0.30 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.26 1a21 s TYR 69 N 1.15 2.79 0.00 4.92 1.51 -0.07 -4.47 117.35 123.18 1a21 s TYR 69 Ca 0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1a21 s TYR 69 Cb -0.14 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1a21 s TYR 69 CO 0.06 0.52 -0.01 1.41 -1.11 0.00 0.00 175.55 176.42 1a21 s MET 70 N -2.92 0.06 0.34 -0.62 1.75 -0.81 -1.52 119.30 115.58 1a21 s MET 70 Ca 0.27 -0.05 0.09 0.00 -1.25 0.00 0.00 55.69 54.75 1a21 s MET 70 Cb -0.09 -0.04 -0.07 0.00 2.84 0.00 0.00 34.83 37.47 1a21 s MET 70 CO 0.18 0.01 -0.08 0.00 -0.65 0.00 0.00 175.02 174.48 1a21 s ALA 71 N -0.08 2.88 -0.06 4.11 0.00 -1.26 -1.28 121.76 126.07 1a21 s ALA 71 Ca -0.01 -2.09 -0.13 0.00 0.00 0.00 0.00 51.96 49.74 1a21 s ALA 71 Cb -0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1a21 s ALA 71 CO -0.00 0.03 0.31 -0.98 0.00 0.00 0.00 175.76 175.12 1a21 s ARG 72 N -3.64 0.53 -0.22 0.00 1.70 -0.60 -0.48 118.95 116.24 1a21 s ARG 72 Ca 0.32 0.09 -0.06 0.00 -0.47 0.00 0.00 55.73 55.62 1a21 s ARG 72 Cb 0.04 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 1a21 s ARG 72 CO 0.16 -0.12 0.03 0.08 -1.08 0.00 0.00 175.30 174.37 1a21 s VAL 73 N -0.65 4.05 -0.13 4.99 1.01 -0.39 -2.09 120.40 127.19 1a21 s VAL 73 Ca -0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1a21 s VAL 73 Cb -0.04 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1a21 s VAL 73 CO 0.02 0.39 0.10 -0.76 0.00 0.00 0.00 175.10 174.86 1a21 s LEU 74 N 1.29 4.14 -0.09 3.92 1.43 0.21 -1.38 118.68 128.20 1a21 s LEU 74 Ca 0.04 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1a21 s LEU 74 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1a21 s LEU 74 CO 0.02 0.34 -0.04 -0.44 0.23 0.00 0.00 176.35 176.46 1a21 s SER 75 N -0.61 4.90 -0.03 2.29 0.01 -0.51 -0.56 113.70 119.20 1a21 s SER 75 Ca 0.12 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1a21 s SER 75 Cb -0.12 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.71 1a21 s SER 75 CO 0.02 0.33 -0.06 -0.31 0.41 0.00 0.00 173.24 173.63 1a21 s TYR 76 N -0.60 0.77 0.31 2.43 2.02 -0.27 -4.03 117.35 117.99 1a21 s TYR 76 Ca 0.09 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 1a21 s TYR 76 Cb -0.12 -0.61 -0.12 0.00 -0.40 0.00 0.00 41.96 40.72 1a21 s TYR 76 CO 0.02 -0.13 1.45 -2.30 -1.57 0.00 0.00 175.55 173.02 1a21 n PRO 77 N 3.58 2.40 -0.02 -1.71 -0.02 -1.26 -1.19 135.00 136.78 1a21 n PRO 77 Ca -0.21 0.85 -0.04 0.00 -2.02 0.00 0.00 63.50 62.07 1a21 n PRO 77 Cb 0.53 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1a21 n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a21 n ALA 78 N 1.24 1.74 -3.23 3.55 0.00 -0.04 -4.78 120.51 118.99 1a21 n ALA 78 Ca 0.07 -0.79 -0.25 0.00 0.00 0.00 0.00 53.44 52.47 1a21 n ALA 78 Cb 0.36 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1a21 n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a21 n ARG 79 N -2.87 1.01 -1.87 0.00 1.74 -1.26 -5.04 116.66 108.37 1a21 n ARG 79 Ca -0.17 -3.47 -0.15 0.00 -0.77 0.00 0.00 57.85 53.29 1a21 n ARG 79 Cb 0.97 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.98 1a21 n ARG 79 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1a21 n ASN 82 N 1.33 -4.74 0.11 0.55 2.85 -1.26 -5.11 115.26 108.99 1a21 n ASN 82 Ca 0.23 0.18 -0.17 0.00 -0.11 0.00 0.00 54.58 54.71 1a21 n ASN 82 Cb 0.51 -3.74 -0.14 0.00 1.24 0.00 0.00 39.78 37.65 1a21 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a21 h THR 83 N 0.00 1.45 -4.49 -0.44 1.03 -2.03 -3.48 112.91 104.95 1a21 h THR 83 Ca -0.34 -3.01 -0.47 0.00 -0.01 0.00 0.00 66.41 62.58 1a21 h THR 83 Cb 1.14 2.94 -0.13 0.00 -1.07 0.00 0.00 68.15 71.03 1a21 h THR 83 CO 0.45 0.88 -0.50 0.42 -0.01 0.00 0.00 175.52 176.75 1a21 s THR 84 N -2.65 0.10 -1.95 0.00 -4.23 -1.26 -5.04 115.64 100.61 1a21 s THR 84 Ca -0.05 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.69 1a21 s THR 84 Cb 0.07 -2.47 0.66 0.00 1.34 0.00 0.00 72.50 72.10 1a21 s THR 84 CO 0.89 0.00 1.55 0.61 -0.54 0.00 0.00 174.62 177.13 1a21 n GLY 85 N -0.65 2.49 2.47 3.99 0.00 -1.26 -4.43 105.19 107.79 1a21 n GLY 85 Ca 0.05 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1a21 n GLY 85 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a21 n PHE 86 N 1.65 1.93 -1.95 1.61 3.01 -1.26 -5.11 117.46 117.34 1a21 n PHE 86 Ca 0.25 -3.93 -0.41 0.00 1.01 0.00 0.00 57.45 54.38 1a21 n PHE 86 Cb 0.64 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1a21 n PHE 86 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1a21 s PRO 87 N -1.58 4.17 0.76 -1.08 0.04 -1.26 -4.99 135.00 131.06 1a21 s PRO 87 Ca 0.34 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.65 1a21 s PRO 87 Cb 0.10 -2.97 0.05 0.00 0.04 0.00 0.00 34.50 31.71 1a21 s PRO 87 CO -0.10 -0.40 1.13 -1.21 0.04 0.00 0.00 177.00 176.46 1a21 s GLU 88 N -2.01 2.39 0.25 4.56 2.02 -1.26 -5.03 118.70 119.63 1a21 s GLU 88 Ca 0.52 0.31 -0.30 0.00 0.02 0.00 0.00 54.97 55.53 1a21 s GLU 88 Cb -0.43 -1.98 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 1a21 s GLU 88 CO 0.57 -1.33 1.13 -1.21 0.02 0.00 0.00 175.26 174.44 1a21 s GLU 89 N -5.44 4.58 0.28 1.61 0.41 -1.26 -4.97 118.70 113.91 1a21 s GLU 89 Ca 0.60 1.83 -0.30 0.00 -0.41 0.00 0.00 54.97 56.70 1a21 s GLU 89 Cb -0.11 -3.21 -0.11 0.00 -1.78 0.00 0.00 34.13 28.92 1a21 s GLU 89 CO 0.51 0.10 1.50 -1.25 -0.49 0.00 0.00 175.26 175.62 1a21 s PRO 90 N -1.03 4.20 0.29 0.39 0.04 -1.26 -4.97 135.00 132.66 1a21 s PRO 90 Ca 0.47 2.43 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 1a21 s PRO 90 Cb -0.32 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 1a21 s PRO 90 CO 0.40 -0.50 1.06 -2.14 0.04 0.00 0.00 177.00 175.86 1a21 s PRO 91 N -0.65 4.60 0.12 0.56 0.02 -1.26 -4.86 135.00 133.52 1a21 s PRO 91 Ca 0.60 1.70 0.03 0.00 0.02 0.00 0.00 61.00 63.35 1a21 s PRO 91 Cb -0.44 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1a21 s PRO 91 CO 0.47 0.20 -0.08 -0.59 -0.33 0.00 0.00 177.00 176.67 1a21 s PHE 92 N -1.25 1.04 -0.08 6.54 -0.12 -1.26 -1.42 117.98 121.43 1a21 s PHE 92 Ca 0.46 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.50 1a21 s PHE 92 Cb -0.29 -0.57 0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1a21 s PHE 92 CO 0.37 -0.05 0.01 0.50 -0.05 0.00 0.00 175.22 176.00 1a21 s ARG 93 N -3.69 0.57 0.32 1.99 6.06 -0.48 -4.91 118.95 118.82 1a21 s ARG 93 Ca 0.13 0.09 -0.25 0.00 -2.50 0.00 0.00 55.73 53.20 1a21 s ARG 93 Cb 0.03 -1.03 -0.10 0.00 0.06 0.00 0.00 34.95 33.91 1a21 s ARG 93 CO -0.02 -0.33 0.91 -0.80 -2.50 0.00 0.00 175.30 172.55 1a21 s ASN 94 N 1.98 7.26 0.68 -2.12 0.01 -1.26 -1.26 114.94 120.23 1a21 s ASN 94 Ca 0.05 1.75 -0.02 0.00 -0.71 0.00 0.00 52.86 53.92 1a21 s ASN 94 Cb -0.13 -2.55 0.09 0.00 0.41 0.00 0.00 41.25 39.08 1a21 s ASN 94 CO -0.05 -0.08 0.95 -0.94 -1.51 0.00 0.00 177.10 175.48 1a21 s SER 95 N -1.67 4.64 0.98 -1.22 1.04 0.37 -4.96 113.70 112.87 1a21 s SER 95 Ca 0.50 -0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.76 1a21 s SER 95 Cb -0.17 -0.53 0.18 0.00 0.10 0.00 0.00 66.02 65.60 1a21 s SER 95 CO 0.22 -1.65 1.13 -2.84 0.98 0.00 0.00 173.24 171.09 1a21 s PRO 96 N -5.10 0.60 0.60 4.02 0.02 -1.26 -4.76 135.00 129.11 1a21 s PRO 96 Ca 0.63 0.25 -0.14 0.00 0.02 0.00 0.00 61.00 61.76 1a21 s PRO 96 Cb -0.08 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1a21 s PRO 96 CO 0.43 -2.56 1.03 -1.21 -0.33 0.00 0.00 177.00 174.37 1a21 s GLU 97 N -5.25 3.44 -0.11 5.54 2.02 -1.26 -4.62 118.70 118.46 1a21 s GLU 97 Ca 0.66 1.03 -0.04 0.00 0.02 0.00 0.00 54.97 56.63 1a21 s GLU 97 Cb -0.15 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.09 1a21 s GLU 97 CO 0.55 -0.70 0.23 0.12 0.02 0.00 0.00 175.26 175.48 1a21 s PHE 98 N -2.71 -0.34 -0.39 1.61 5.36 -0.58 -4.99 117.98 115.93 1a21 s PHE 98 Ca 0.60 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1a21 s PHE 98 Cb -0.13 -0.10 0.11 0.00 -0.34 0.00 0.00 43.02 42.55 1a21 s PHE 98 CO 0.41 -0.32 0.17 0.99 -1.46 0.00 0.00 175.22 175.02 1a21 s THR 99 N 2.29 3.07 0.20 0.12 2.01 -1.26 -0.89 115.64 121.18 1a21 s THR 99 Ca 0.01 -2.13 -0.19 0.00 0.31 0.00 0.00 61.69 59.69 1a21 s THR 99 Cb -0.12 -3.13 0.16 0.00 0.01 0.00 0.00 72.50 69.42 1a21 s THR 99 CO -0.08 -0.67 1.46 -2.65 -0.69 0.00 0.00 174.62 171.99 1a21 n PRO 100 N 4.51 -0.26 0.32 4.92 -0.02 -1.25 -0.75 135.00 142.48 1a21 n PRO 100 Ca -0.01 1.44 0.20 0.00 -2.02 0.00 0.00 63.50 63.12 1a21 n PRO 100 Cb 0.41 -2.13 1.08 0.00 -0.02 0.00 0.00 33.50 32.84 1a21 n PRO 100 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1a21 h TYR 101 N 0.00 0.00 0.00 6.00 -0.00 -1.72 -2.11 116.97 119.15 1a21 h TYR 101 Ca 0.29 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.75 1a21 h TYR 101 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.20 1a21 h TYR 101 CO -0.86 0.01 -2.02 1.28 -0.00 0.00 0.00 178.16 176.58 1a21 n LEU 102 N -3.22 1.80 0.12 0.10 4.77 -0.37 -4.73 117.00 115.47 1a21 n LEU 102 Ca -0.02 -0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1a21 n LEU 102 Cb 0.12 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1a21 n LEU 102 CO 0.23 0.63 0.14 0.44 -1.33 0.00 0.00 177.39 177.49 1a21 h ASP 103 N 0.00 0.00 -3.87 -1.43 3.32 -0.84 -3.47 116.42 110.13 1a21 h ASP 103 Ca -0.40 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.13 1a21 h ASP 103 Cb 1.73 0.00 0.06 0.00 0.22 0.00 0.00 39.33 41.34 1a21 h ASP 103 CO -0.03 0.08 0.61 0.28 -1.72 0.00 0.00 179.24 178.46 1a21 s THR 104 N -3.28 2.86 0.33 0.35 -1.32 -0.80 -4.93 115.64 108.85 1a21 s THR 104 Ca 0.01 0.87 -0.26 0.00 -1.21 0.00 0.00 61.69 61.10 1a21 s THR 104 Cb 0.09 -3.55 -0.10 0.00 -1.51 0.00 0.00 72.50 67.43 1a21 s THR 104 CO 0.77 0.21 0.96 0.20 -2.21 0.00 0.00 174.62 174.55 1a21 s ASN 105 N -0.56 7.28 0.17 8.08 0.01 -0.70 -4.85 114.94 124.37 1a21 s ASN 105 Ca 0.48 1.88 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 1a21 s ASN 105 Cb -0.38 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.62 1a21 s ASN 105 CO 0.51 -0.11 0.95 -0.76 -1.51 0.00 0.00 177.10 176.18 1a21 s LEU 106 N -2.08 4.57 0.42 0.60 1.43 -1.26 -1.19 118.68 121.16 1a21 s LEU 106 Ca 0.51 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1a21 s LEU 106 Cb -0.20 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1a21 s LEU 106 CO 0.25 0.04 0.70 -0.83 0.23 0.00 0.00 176.35 176.74 1a21 s GLY 107 N -0.55 1.55 0.04 -3.19 0.00 -1.26 -4.48 107.32 99.43 1a21 s GLY 107 Ca 0.44 -0.57 -0.33 0.00 0.00 0.00 0.00 44.72 44.26 1a21 s GLY 107 CO 0.31 -0.43 1.77 -0.18 0.00 0.00 0.00 173.10 174.57 1a21 n GLN 108 N -1.89 2.30 -1.11 2.90 7.27 -1.26 -4.72 117.38 120.88 1a21 n GLN 108 Ca -0.01 0.84 -0.30 0.00 0.07 0.00 0.00 57.00 57.60 1a21 n GLN 108 Cb 0.55 -2.67 0.23 0.00 2.41 0.00 0.00 30.24 30.76 1a21 n GLN 108 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1a21 s PRO 109 N 2.72 -0.98 -0.08 3.69 0.02 -1.26 -4.99 135.00 134.11 1a21 s PRO 109 Ca 0.86 0.00 -0.03 0.00 0.02 0.00 0.00 61.00 61.85 1a21 s PRO 109 Cb -0.64 -1.62 0.05 0.00 0.02 0.00 0.00 34.50 32.31 1a21 s PRO 109 CO 0.44 -3.57 0.16 0.99 -0.33 0.00 0.00 177.00 174.70 1a21 s THR 110 N -3.02 -0.22 -0.49 0.99 2.01 -1.26 -4.57 115.64 109.08 1a21 s THR 110 Ca 0.70 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.73 1a21 s THR 110 Cb -0.11 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1a21 s THR 110 CO 0.56 0.13 1.44 -0.63 -0.69 0.00 0.00 174.62 175.43 1a21 s ILE 111 N 2.05 3.82 -0.17 1.82 1.01 -1.26 -1.03 121.20 127.45 1a21 s ILE 111 Ca 0.00 0.77 0.16 0.00 0.00 0.00 0.00 60.65 61.58 1a21 s ILE 111 Cb -0.12 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1a21 s ILE 111 CO -0.06 -0.95 1.29 -0.61 0.00 0.00 0.00 174.94 174.61 1a21 h GLN 112 N 11.09 0.00 -1.90 2.79 4.15 -1.48 -3.47 115.11 126.29 1a21 h GLN 112 Ca -0.27 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.25 1a21 h GLN 112 Cb 1.10 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.60 1a21 h GLN 112 CO 1.13 0.41 0.53 0.45 -1.93 0.00 0.00 178.83 179.42 1a21 s SER 113 N -6.24 -0.36 0.04 -0.69 0.15 -1.00 -5.00 113.70 100.60 1a21 s SER 113 Ca 0.02 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.60 1a21 s SER 113 Cb 0.08 0.34 0.09 0.00 -1.71 0.00 0.00 66.02 64.81 1a21 s SER 113 CO 0.76 -0.47 0.78 0.72 1.20 0.00 0.00 173.24 176.23 1a21 s PHE 114 N -2.13 -0.44 -0.29 3.44 -0.71 -1.26 -0.14 117.98 116.46 1a21 s PHE 114 Ca 0.02 0.34 -0.27 0.00 -1.04 0.00 0.00 56.93 55.97 1a21 s PHE 114 Cb -0.01 0.53 0.19 0.00 -1.21 0.00 0.00 43.02 42.53 1a21 s PHE 114 CO -0.03 -0.64 1.39 -1.83 -1.34 0.00 0.00 175.22 172.77 1a21 s GLU 115 N -3.10 0.07 -0.34 1.99 -1.05 0.07 -4.99 118.70 111.34 1a21 s GLU 115 Ca 0.02 0.04 -0.06 0.00 -0.15 0.00 0.00 54.97 54.83 1a21 s GLU 115 Cb -0.01 0.03 0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1a21 s GLU 115 CO -0.09 -0.02 0.10 -1.14 0.95 0.00 0.00 175.26 175.07 1a21 s GLN 116 N -0.52 2.57 -1.29 -4.83 0.74 -1.26 -0.38 119.66 114.69 1a21 s GLN 116 Ca 0.08 -1.23 -0.09 0.00 0.05 0.00 0.00 55.36 54.17 1a21 s GLN 116 Cb -0.03 -3.44 0.16 0.00 1.10 0.00 0.00 33.01 30.80 1a21 s GLN 116 CO -0.11 -0.69 1.94 0.28 -0.55 0.00 0.00 175.29 176.15 1a21 n VAL 117 N 4.78 4.45 0.00 1.34 0.31 0.14 -4.87 118.33 124.48 1a21 n VAL 117 Ca -0.12 -4.39 0.00 0.00 -0.01 0.00 0.00 64.34 59.82 1a21 n VAL 117 Cb 0.44 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1a21 n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a21 n GLY 118 N 2.67 1.94 0.45 2.92 0.00 -1.26 -2.45 105.19 109.47 1a21 n GLY 118 Ca 0.42 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.60 1a21 n GLY 118 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a21 n THR 119 N 0.00 1.09 -4.01 2.61 5.66 -1.26 -2.60 114.28 115.78 1a21 n THR 119 Ca 0.00 -1.08 -0.32 0.00 -3.05 0.00 0.00 64.05 59.61 1a21 n THR 119 Cb 0.00 0.44 -0.15 0.00 -1.55 0.00 0.00 70.33 69.08 1a21 n THR 119 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1a21 s LYS 120 N -1.14 1.69 -0.09 1.09 -0.14 -1.03 -1.56 119.74 118.57 1a21 s LYS 120 Ca 0.18 -1.76 -0.23 0.00 -1.36 0.00 0.00 55.97 52.80 1a21 s LYS 120 Cb 0.10 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 1a21 s LYS 120 CO 0.10 -0.87 0.68 -1.17 -0.76 0.00 0.00 175.35 173.34 1a21 s LEU 121 N 0.97 4.29 -0.07 3.17 2.96 -0.55 0.29 118.68 129.73 1a21 s LEU 121 Ca 0.07 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1a21 s LEU 121 Cb -0.20 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.47 1a21 s LEU 121 CO -0.07 -0.13 -0.12 0.21 -1.32 0.00 0.00 176.35 174.91 1a21 s ASN 122 N 0.83 1.90 -0.00 3.68 3.84 0.49 -1.78 114.94 123.90 1a21 s ASN 122 Ca 0.36 -0.31 0.05 0.00 0.21 0.00 0.00 52.86 53.16 1a21 s ASN 122 Cb -0.17 -0.86 -0.01 0.00 -0.55 0.00 0.00 41.25 39.65 1a21 s ASN 122 CO 0.16 0.02 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.65 1a21 s VAL 123 N 0.79 1.20 -0.10 -5.21 1.01 -0.58 -0.75 120.40 116.76 1a21 s VAL 123 Ca -0.12 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1a21 s VAL 123 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1a21 s VAL 123 CO 0.02 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.40 1a21 s THR 124 N -0.43 1.29 -0.13 3.92 2.01 0.80 -0.61 115.64 122.50 1a21 s THR 124 Ca 0.05 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 1a21 s THR 124 Cb -0.06 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1a21 s THR 124 CO -0.00 0.40 0.54 -0.69 -0.69 0.00 0.00 174.62 174.18 1a21 s VAL 125 N 1.07 5.13 0.33 3.82 1.01 -0.37 -1.20 120.40 130.20 1a21 s VAL 125 Ca -0.06 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 1a21 s VAL 125 Cb -0.15 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1a21 s VAL 125 CO -0.02 0.27 1.41 -1.58 0.00 0.00 0.00 175.10 175.18 1a21 s GLN 126 N 0.96 4.23 -0.33 2.72 0.74 -0.19 -4.84 119.66 122.96 1a21 s GLN 126 Ca 0.28 2.39 -0.29 0.00 0.05 0.00 0.00 55.36 57.79 1a21 s GLN 126 Cb -0.16 -3.04 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 1a21 s GLN 126 CO 0.11 -0.38 1.58 0.34 -0.55 0.00 0.00 175.29 176.39 1a21 s ASP 127 N -0.16 6.23 0.18 6.67 -1.08 -1.26 -4.71 116.67 122.54 1a21 s ASP 127 Ca 0.53 1.21 -0.30 0.00 -0.52 0.00 0.00 52.55 53.47 1a21 s ASP 127 Cb -0.43 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.41 1a21 s ASP 127 CO 0.55 -1.45 1.30 0.00 0.52 0.00 0.00 175.17 176.08 1a21 s ALA 128 N 5.77 3.51 0.38 3.66 0.00 -1.26 -5.00 121.76 128.83 1a21 s ALA 128 Ca 0.70 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.79 1a21 s ALA 128 Cb -0.20 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1a21 s ALA 128 CO 0.31 -0.52 0.22 1.03 0.00 0.00 0.00 175.76 176.81 1a21 s ARG 129 N 0.02 1.90 -0.07 0.00 0.52 -1.26 -1.73 118.95 118.34 1a21 s ARG 129 Ca 0.57 -2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 53.60 1a21 s ARG 129 Cb -0.36 -0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.04 1a21 s ARG 129 CO 0.37 -0.61 0.16 -0.08 0.02 0.00 0.00 175.30 175.16 1a21 s THR 130 N -3.28 -0.03 -0.34 0.02 -1.32 -0.33 -4.92 115.64 105.44 1a21 s THR 130 Ca 0.31 0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.63 1a21 s THR 130 Cb 0.02 -0.25 0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1a21 s THR 130 CO 0.22 0.05 1.23 -0.22 -2.21 0.00 0.00 174.62 173.70 1a21 s LEU 131 N 0.88 3.83 0.00 9.08 2.96 -1.26 -0.89 118.68 133.28 1a21 s LEU 131 Ca -0.07 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1a21 s LEU 131 Cb -0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1a21 s LEU 131 CO -0.05 -1.09 0.00 0.52 -1.32 0.00 0.00 176.35 174.42 1a21 n VAL 132 N 6.29 0.00 0.00 1.68 0.31 -1.26 -4.96 118.33 120.39 1a21 n VAL 132 Ca 0.14 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1a21 n VAL 132 Cb 0.47 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1a21 n VAL 132 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1a21 n THR 137 N -1.60 0.00 -4.52 2.52 -2.24 -1.26 -4.95 114.28 102.22 1a21 n THR 137 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1a21 n THR 137 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1a21 n THR 137 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1a21 s PHE 138 N 0.00 2.42 -0.16 4.78 -0.12 -1.26 -5.06 117.98 118.57 1a21 s PHE 138 Ca 0.00 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.39 1a21 s PHE 138 Cb 0.00 -1.39 0.04 0.00 -0.63 0.00 0.00 43.02 41.04 1a21 s PHE 138 CO 0.00 0.58 -0.07 -1.17 -0.05 0.00 0.00 175.22 174.51 1a21 s LEU 139 N -3.62 1.67 0.34 -1.99 2.96 -0.07 -4.93 118.68 113.04 1a21 s LEU 139 Ca 0.33 -0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 53.34 1a21 s LEU 139 Cb 0.02 -0.97 -0.10 0.00 0.50 0.00 0.00 46.19 45.64 1a21 s LEU 139 CO 0.17 -0.16 0.99 -0.55 -1.32 0.00 0.00 176.35 175.48 1a21 s SER 140 N 1.60 7.18 0.20 3.68 0.15 -1.26 -1.18 113.70 124.06 1a21 s SER 140 Ca 0.01 1.94 -0.05 0.00 0.70 0.00 0.00 55.95 58.55 1a21 s SER 140 Cb -0.15 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.72 1a21 s SER 140 CO -0.08 -0.19 1.58 0.25 1.20 0.00 0.00 173.24 176.00 1a21 h LEU 141 N 3.08 0.77 -0.38 3.45 5.85 -1.69 -2.76 115.31 123.63 1a21 h LEU 141 Ca -0.47 -0.32 -0.19 0.00 0.84 0.00 0.00 57.88 57.75 1a21 h LEU 141 Cb 1.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1a21 h LEU 141 CO 0.64 1.03 -0.79 -0.09 -0.34 0.00 0.00 178.44 178.90 1a21 h ARG 142 N 0.62 0.27 0.00 1.25 9.65 -1.92 -1.84 114.38 122.41 1a21 h ARG 142 Ca 0.07 -0.25 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1a21 h ARG 142 Cb 0.85 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1a21 h ARG 142 CO 0.07 0.93 -0.18 0.00 2.80 0.00 0.00 179.97 183.60 1a21 h ALA 143 N 0.99 1.31 0.00 2.80 0.00 -1.89 0.55 119.26 123.01 1a21 h ALA 143 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1a21 h ALA 143 Cb 1.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1a21 h ALA 143 CO 0.13 0.22 -1.01 0.28 0.00 0.00 0.00 179.25 178.87 1a21 n VAL 144 N -3.75 1.48 0.16 0.00 0.31 -1.06 -4.66 118.33 110.82 1a21 n VAL 144 Ca -0.02 0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.48 1a21 n VAL 144 Cb 0.29 -2.19 0.09 0.00 -0.91 0.00 0.00 33.84 31.11 1a21 n VAL 144 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1a21 h PHE 145 N -1.00 0.00 0.00 3.52 0.04 -1.37 -3.49 116.94 114.64 1a21 h PHE 145 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1a21 h PHE 145 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1a21 h PHE 145 CO -0.06 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 1a21 n GLY 146 N 1.16 3.23 0.15 -1.45 0.00 0.18 -1.23 105.19 107.22 1a21 n GLY 146 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1a21 n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a21 n LYS 147 N 14.00 0.19 0.26 1.61 4.01 -1.26 -2.98 118.16 133.98 1a21 n LYS 147 Ca 0.00 0.48 0.14 0.00 -0.51 0.00 0.00 58.31 58.42 1a21 n LYS 147 Cb 0.00 -1.92 0.65 0.00 -0.51 0.00 0.00 35.03 33.25 1a21 n LYS 147 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1a21 h ASP 148 N 0.00 0.00 -3.44 4.39 3.32 -1.55 -3.43 116.42 115.71 1a21 h ASP 148 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1a21 h ASP 148 Cb 0.28 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.73 1a21 h ASP 148 CO 0.00 0.12 0.09 -0.22 -1.72 0.00 0.00 179.24 177.51 1a21 s LEU 149 N -6.71 4.13 0.29 1.55 2.96 -1.16 -4.34 118.68 115.40 1a21 s LEU 149 Ca -0.01 0.78 0.05 0.00 -0.22 0.00 0.00 54.13 54.74 1a21 s LEU 149 Cb 0.11 -2.85 -0.06 0.00 0.50 0.00 0.00 46.19 43.89 1a21 s LEU 149 CO 0.58 -0.27 -0.01 0.20 -1.32 0.00 0.00 176.35 175.53 1a21 s ASN 150 N 1.23 2.55 0.02 3.68 0.01 -0.72 -4.66 114.94 117.05 1a21 s ASN 150 Ca 0.27 -1.26 0.04 0.00 -0.71 0.00 0.00 52.86 51.20 1a21 s ASN 150 Cb -0.16 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.36 1a21 s ASN 150 CO 0.10 -0.46 -0.11 -0.31 -1.51 0.00 0.00 177.10 174.81 1a21 s TYR 151 N -3.15 0.99 -0.06 2.20 2.02 -0.75 -1.38 117.35 117.22 1a21 s TYR 151 Ca 0.32 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 1a21 s TYR 151 Cb 0.06 -0.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1a21 s TYR 151 CO 0.13 -0.00 -0.18 0.99 -1.57 0.00 0.00 175.55 174.92 1a21 s THR 152 N -0.64 2.75 -0.14 -0.71 2.01 -0.04 -1.35 115.64 117.52 1a21 s THR 152 Ca 0.01 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 1a21 s THR 152 Cb -0.06 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1a21 s THR 152 CO 0.00 0.58 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.20 1a21 s LEU 153 N -0.49 2.95 -0.17 4.42 2.96 0.18 -1.64 118.68 126.90 1a21 s LEU 153 Ca 0.06 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1a21 s LEU 153 Cb -0.12 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1a21 s LEU 153 CO 0.01 0.17 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.89 1a21 s TYR 154 N 0.34 3.06 -0.09 5.38 1.51 0.25 -1.03 117.35 126.77 1a21 s TYR 154 Ca -0.08 -0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1a21 s TYR 154 Cb -0.15 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1a21 s TYR 154 CO 0.04 -0.05 0.23 1.52 -1.11 0.00 0.00 175.55 176.19 1a21 s TYR 155 N 0.48 -0.26 0.20 2.71 1.13 -0.09 -1.11 117.35 120.42 1a21 s TYR 155 Ca -0.02 0.63 -0.03 0.00 -1.41 0.00 0.00 57.07 56.24 1a21 s TYR 155 Cb -0.14 0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1a21 s TYR 155 CO 0.02 -0.12 0.18 1.67 -2.51 0.00 0.00 175.55 174.79 1a21 s TRP 156 N 0.13 0.96 -0.75 -3.49 -2.14 0.01 -0.55 118.94 113.11 1a21 s TRP 156 Ca -0.00 -1.23 0.22 0.00 2.66 0.00 0.00 56.10 57.74 1a21 s TRP 156 Cb -0.02 -0.41 -0.20 0.00 -3.10 0.00 0.00 33.47 29.74 1a21 s TRP 156 CO 0.00 -0.68 0.84 0.54 -2.66 0.00 0.00 176.95 174.99 1a21 n ARG 157 N -0.26 0.17 -4.18 3.25 1.74 -1.26 -0.38 116.66 115.74 1a21 n ARG 157 Ca -0.00 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 1a21 n ARG 157 Cb 0.65 -1.51 -0.17 0.00 -1.02 0.00 0.00 32.46 30.41 1a21 n ARG 157 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a21 s LYS 163 N -3.13 2.27 0.17 5.56 1.02 -1.26 -4.76 119.74 119.60 1a21 s LYS 163 Ca 0.04 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.54 1a21 s LYS 163 Cb 0.15 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1a21 s LYS 163 CO 0.87 -0.17 0.07 0.15 -0.92 0.00 0.00 175.35 175.35 1a21 s LYS 164 N 1.31 2.68 -0.06 1.68 1.02 0.29 -4.90 119.74 121.76 1a21 s LYS 164 Ca 0.01 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.05 1a21 s LYS 164 Cb -0.14 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1a21 s LYS 164 CO -0.07 0.47 -0.14 0.95 -0.92 0.00 0.00 175.35 175.64 1a21 s THR 165 N -1.74 1.25 0.37 2.17 -4.23 -1.26 -0.91 115.64 111.30 1a21 s THR 165 Ca 0.29 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.32 1a21 s THR 165 Cb -0.10 -1.11 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1a21 s THR 165 CO 0.21 0.38 0.28 0.00 -0.54 0.00 0.00 174.62 174.95 1a21 s ALA 166 N 0.48 3.83 0.02 3.99 0.00 -0.19 -4.92 121.76 124.97 1a21 s ALA 166 Ca -0.12 -1.81 -0.07 0.00 0.00 0.00 0.00 51.96 49.96 1a21 s ALA 166 Cb -0.15 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1a21 s ALA 166 CO 0.04 -0.08 0.12 -0.08 0.00 0.00 0.00 175.76 175.75 1a21 s THR 167 N -2.41 0.11 0.04 0.00 -1.32 -1.26 -0.64 115.64 110.15 1a21 s THR 167 Ca 0.43 -0.91 -0.14 0.00 -1.21 0.00 0.00 61.69 59.86 1a21 s THR 167 Cb -0.03 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.28 1a21 s THR 167 CO 0.26 -0.50 0.31 0.28 -2.21 0.00 0.00 174.62 172.76 1a21 s THR 168 N -2.10 0.08 -1.61 5.08 -1.32 -0.46 -4.99 115.64 110.32 1a21 s THR 168 Ca -0.09 -0.65 0.23 0.00 -1.21 0.00 0.00 61.69 59.97 1a21 s THR 168 Cb -0.04 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1a21 s THR 168 CO -0.02 -0.36 1.12 -3.20 -2.21 0.00 0.00 174.62 169.96 1a21 n ASN 169 N 0.59 1.46 0.00 8.08 4.05 -1.26 -1.82 115.26 126.37 1a21 n ASN 169 Ca -0.19 -1.18 0.00 0.00 0.45 0.00 0.00 54.58 53.67 1a21 n ASN 169 Cb 0.59 0.57 0.00 0.00 1.23 0.00 0.00 39.78 42.17 1a21 n ASN 169 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1a21 n THR 170 N -0.67 0.00 -0.09 -0.44 -2.24 -1.26 -4.81 114.28 104.77 1a21 n THR 170 Ca 0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1a21 n THR 170 Cb 0.40 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1a21 n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a21 n ASN 171 N 0.00 2.60 -4.40 3.42 4.13 -1.26 -4.63 115.26 115.11 1a21 n ASN 171 Ca 0.00 -1.95 -0.32 0.00 1.68 0.00 0.00 54.58 53.98 1a21 n ASN 171 Cb 0.00 -0.16 -0.14 0.00 -1.54 0.00 0.00 39.78 37.94 1a21 n ASN 171 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1a21 s GLU 172 N -0.98 2.69 -0.01 3.52 0.41 -1.26 -1.24 118.70 121.83 1a21 s GLU 172 Ca 0.16 -0.75 0.08 0.00 -0.41 0.00 0.00 54.97 54.05 1a21 s GLU 172 Cb 0.09 -2.37 -0.02 0.00 -1.78 0.00 0.00 34.13 30.04 1a21 s GLU 172 CO 0.11 0.48 -0.25 -0.06 -0.49 0.00 0.00 175.26 175.05 1a21 s PHE 173 N -0.37 2.35 -0.42 1.61 0.08 0.22 -4.88 117.98 116.58 1a21 s PHE 173 Ca 0.03 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.72 1a21 s PHE 173 Cb -0.12 -1.49 0.17 0.00 -0.57 0.00 0.00 43.02 41.01 1a21 s PHE 173 CO 0.02 0.00 0.50 -1.17 -0.10 0.00 0.00 175.22 174.48 1a21 s LEU 174 N -0.72 -0.51 0.41 -0.37 2.96 -1.26 -1.53 118.68 117.66 1a21 s LEU 174 Ca 0.10 -1.61 0.08 0.00 -0.22 0.00 0.00 54.13 52.48 1a21 s LEU 174 Cb -0.10 1.04 -0.03 0.00 0.50 0.00 0.00 46.19 47.60 1a21 s LEU 174 CO -0.00 -0.18 0.29 0.27 -1.32 0.00 0.00 176.35 175.40 1a21 s ILE 175 N 1.24 2.60 -0.06 6.68 -5.25 -0.73 -4.95 121.20 120.73 1a21 s ILE 175 Ca 0.21 -1.49 -0.15 0.00 -0.99 0.00 0.00 60.65 58.23 1a21 s ILE 175 Cb -0.07 -3.01 -0.05 0.00 2.95 0.00 0.00 42.46 42.28 1a21 s ILE 175 CO -0.06 -0.02 0.39 -1.81 -1.79 0.00 0.00 174.94 171.65 1a21 s ASP 176 N -4.03 6.70 0.16 4.36 1.01 -1.26 -1.49 116.67 122.12 1a21 s ASP 176 Ca 0.45 0.83 0.03 0.00 0.71 0.00 0.00 52.55 54.57 1a21 s ASP 176 Cb -0.01 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1a21 s ASP 176 CO 0.26 0.23 -0.05 0.68 0.21 0.00 0.00 175.17 176.50 1a21 s VAL 177 N -0.50 0.90 -0.20 -1.27 -7.23 -0.60 -4.91 120.40 106.59 1a21 s VAL 177 Ca 0.22 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.24 1a21 s VAL 177 Cb -0.16 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1a21 s VAL 177 CO 0.11 -0.63 0.34 -1.81 -0.31 0.00 0.00 175.10 172.79 1a21 s ASP 178 N -3.16 6.38 0.88 4.85 1.01 -1.26 -4.24 116.67 121.12 1a21 s ASP 178 Ca 0.19 0.44 -0.12 0.00 0.71 0.00 0.00 52.55 53.77 1a21 s ASP 178 Cb 0.05 -2.20 0.08 0.00 1.01 0.00 0.00 42.92 41.85 1a21 s ASP 178 CO 0.02 -0.02 0.85 1.17 0.21 0.00 0.00 175.17 177.40 1a21 n LYS 179 N 4.28 -0.17 0.00 8.23 4.81 -1.07 -2.53 118.16 131.70 1a21 n LYS 179 Ca -0.10 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1a21 n LYS 179 Cb 0.51 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1a21 n LYS 179 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a21 n GLY 180 N 0.89 2.43 3.79 3.14 0.00 -1.26 -4.98 105.19 109.19 1a21 n GLY 180 Ca 0.10 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1a21 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a21 s GLU 181 N 0.00 3.28 -0.17 1.61 0.41 -1.05 -5.06 118.70 117.72 1a21 s GLU 181 Ca 0.00 1.37 -0.00 0.00 -0.41 0.00 0.00 54.97 55.93 1a21 s GLU 181 Cb 0.00 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1a21 s GLU 181 CO 0.00 -0.86 -0.15 1.21 -0.49 0.00 0.00 175.26 174.97 1a21 s ASN 182 N -2.36 3.60 0.09 -0.19 3.84 -1.26 -4.98 114.94 113.67 1a21 s ASN 182 Ca 0.67 -0.51 0.05 0.00 0.21 0.00 0.00 52.86 53.28 1a21 s ASN 182 Cb -0.19 -1.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.91 1a21 s ASN 182 CO 0.33 0.04 -0.01 -0.31 -2.79 0.00 0.00 177.10 174.35 1a21 s TYR 183 N 1.07 2.96 -0.02 0.43 1.51 -1.26 -4.28 117.35 117.75 1a21 s TYR 183 Ca -0.00 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 1a21 s TYR 183 Cb -0.14 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1a21 s TYR 183 CO -0.04 0.47 -0.16 0.00 -1.11 0.00 0.00 175.55 174.70 1a21 s PHE 185 N -0.24 0.19 -0.01 0.00 -0.12 -0.31 -0.81 117.98 116.68 1a21 s PHE 185 Ca 0.03 -0.55 -0.20 0.00 -0.05 0.00 0.00 56.93 56.17 1a21 s PHE 185 Cb -0.08 0.21 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1a21 s PHE 185 CO 0.00 -0.90 0.42 -1.54 -0.05 0.00 0.00 175.22 173.15 1a21 s SER 186 N -2.95 -0.33 0.27 1.98 1.04 -0.26 -2.00 113.70 111.45 1a21 s SER 186 Ca 0.16 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.92 1a21 s SER 186 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1a21 s SER 186 CO 0.02 -0.53 0.01 0.68 0.98 0.00 0.00 173.24 174.41 1a21 s VAL 187 N -1.49 3.40 -0.11 5.02 -7.23 -1.26 -0.59 120.40 118.14 1a21 s VAL 187 Ca -0.12 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 1a21 s VAL 187 Cb -0.03 -2.86 0.03 0.00 0.56 0.00 0.00 36.38 34.08 1a21 s VAL 187 CO 0.05 -0.35 0.30 -1.58 -0.31 0.00 0.00 175.10 173.20 1a21 s GLN 188 N -3.69 0.33 0.19 4.82 0.74 -0.65 -1.04 119.66 120.35 1a21 s GLN 188 Ca 0.32 0.45 -0.23 0.00 0.05 0.00 0.00 55.36 55.96 1a21 s GLN 188 Cb -0.06 0.11 -0.08 0.00 1.10 0.00 0.00 33.01 34.08 1a21 s GLN 188 CO 0.20 -0.07 0.74 0.00 -0.55 0.00 0.00 175.29 175.62 1a21 s ALA 189 N 0.41 3.44 -0.08 1.58 0.00 -1.26 -0.86 121.76 124.99 1a21 s ALA 189 Ca -0.02 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 1a21 s ALA 189 Cb -0.04 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1a21 s ALA 189 CO -0.02 0.31 0.19 0.08 0.00 0.00 0.00 175.76 176.32 1a21 s VAL 190 N -1.31 -0.02 -0.50 0.00 1.01 -0.48 -2.17 120.40 116.92 1a21 s VAL 190 Ca 0.39 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1a21 s VAL 190 Cb -0.20 -0.29 0.13 0.00 0.00 0.00 0.00 36.38 36.02 1a21 s VAL 190 CO 0.23 0.03 0.25 -0.63 0.00 0.00 0.00 175.10 174.99 1a21 s ILE 191 N 0.65 2.43 0.62 2.22 1.01 -0.80 -1.76 121.20 125.57 1a21 s ILE 191 Ca -0.05 -3.20 0.29 0.00 0.00 0.00 0.00 60.65 57.70 1a21 s ILE 191 Cb -0.06 -2.69 0.34 0.00 0.01 0.00 0.00 42.46 40.06 1a21 s ILE 191 CO -0.03 -0.80 1.90 1.55 0.00 0.00 0.00 174.94 177.55 1a21 h PRO 192 N 6.56 0.00 0.00 2.79 0.13 -1.84 -2.34 132.00 137.31 1a21 h PRO 192 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1a21 h PRO 192 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1a21 h PRO 192 CO 0.66 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 1a21 n SER 193 N -3.39 0.00 -4.80 1.44 3.41 -1.26 -4.84 113.62 104.19 1a21 n SER 193 Ca 0.04 0.49 -0.35 0.00 -0.26 0.00 0.00 58.87 58.78 1a21 n SER 193 Cb 0.55 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1a21 n SER 193 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a21 s ARG 194 N -2.99 4.39 0.11 4.33 0.52 -0.88 -4.98 118.95 119.45 1a21 s ARG 194 Ca 0.12 1.27 0.18 0.00 -0.52 0.00 0.00 55.73 56.78 1a21 s ARG 194 Cb 0.16 -2.52 -0.08 0.00 0.52 0.00 0.00 34.95 33.02 1a21 s ARG 194 CO 0.44 0.10 0.94 0.87 0.02 0.00 0.00 175.30 177.66 1a21 h LYS 195 N 2.59 0.00 -3.65 3.54 1.57 -1.90 -3.45 116.57 115.28 1a21 h LYS 195 Ca -0.48 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 1a21 h LYS 195 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 1a21 h LYS 195 CO 0.63 0.25 -0.21 -0.98 -0.57 0.00 0.00 179.45 178.57 1a21 s ARG 196 N -3.01 1.10 -1.26 3.15 3.03 -1.26 -4.91 118.95 115.79 1a21 s ARG 196 Ca -0.02 -0.96 -0.08 0.00 2.03 0.00 0.00 55.73 56.70 1a21 s ARG 196 Cb 0.09 0.42 0.01 0.00 -1.03 0.00 0.00 34.95 34.43 1a21 s ARG 196 CO 0.80 -0.41 1.01 1.63 -1.13 0.00 0.00 175.30 177.20 1a21 n LYS 197 N -0.20 -6.92 0.07 3.89 5.02 -1.26 -4.92 118.16 113.84 1a21 n LYS 197 Ca -0.12 0.76 -0.07 0.00 -2.02 0.00 0.00 58.31 56.87 1a21 n LYS 197 Cb 0.63 -5.57 0.08 0.00 -0.02 0.00 0.00 35.03 30.14 1a21 n LYS 197 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1a21 h GLN 198 N -2.32 0.28 -5.97 1.97 4.20 -1.86 -3.45 115.11 107.96 1a21 h GLN 198 Ca -0.51 -0.21 -0.54 0.00 0.06 0.00 0.00 58.65 57.44 1a21 h GLN 198 Cb 1.34 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 29.01 1a21 h GLN 198 CO 0.51 0.85 -0.76 1.03 -0.67 0.00 0.00 178.83 179.79 1a21 s ARG 199 N -3.64 1.48 0.47 1.46 0.52 -1.26 -1.90 118.95 116.08 1a21 s ARG 199 Ca -0.04 -1.63 0.08 0.00 -0.52 0.00 0.00 55.73 53.61 1a21 s ARG 199 Cb 0.11 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 34.12 1a21 s ARG 199 CO 0.81 0.27 0.50 -1.54 0.02 0.00 0.00 175.30 175.37 1a21 s SER 200 N -3.25 5.13 0.79 0.23 1.04 -0.92 -4.71 113.70 112.01 1a21 s SER 200 Ca 0.24 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 1a21 s SER 200 Cb -0.04 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.87 1a21 s SER 200 CO 0.10 -0.87 1.10 -2.84 0.98 0.00 0.00 173.24 171.71 1a21 s PRO 201 N -4.30 2.06 0.51 4.02 0.02 -1.26 -4.74 135.00 131.31 1a21 s PRO 201 Ca 0.50 1.25 -0.20 0.00 0.02 0.00 0.00 61.00 62.58 1a21 s PRO 201 Cb -0.05 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 1a21 s PRO 201 CO 0.30 -1.80 1.06 -1.21 -0.33 0.00 0.00 177.00 175.02 1a21 s GLU 202 N -4.81 3.66 1.00 5.54 2.02 -1.26 -4.33 118.70 120.52 1a21 s GLU 202 Ca 0.63 1.39 -0.16 0.00 0.02 0.00 0.00 54.97 56.85 1a21 s GLU 202 Cb -0.18 -2.07 0.21 0.00 0.10 0.00 0.00 34.13 32.19 1a21 s GLU 202 CO 0.56 -0.56 1.26 -1.54 0.02 0.00 0.00 175.26 175.00 1a21 s SER 203 N -2.03 2.72 0.47 -0.19 1.04 -0.20 -4.83 113.70 110.69 1a21 s SER 203 Ca 0.68 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 57.27 1a21 s SER 203 Cb -0.18 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 65.34 1a21 s SER 203 CO 0.23 -2.99 1.31 -0.76 0.98 0.00 0.00 173.24 172.02 1a21 s LEU 204 N -6.11 4.04 0.44 2.42 1.43 -1.26 -4.71 118.68 114.92 1a21 s LEU 204 Ca 0.72 2.66 -0.21 0.00 -1.03 0.00 0.00 54.13 56.28 1a21 s LEU 204 Cb -0.06 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 41.96 1a21 s LEU 204 CO 0.53 -1.15 0.97 -0.89 0.23 0.00 0.00 176.35 176.04 1a21 s THR 205 N -1.32 4.24 0.01 5.49 2.01 -1.26 -4.75 115.64 120.06 1a21 s THR 205 Ca 0.64 1.42 0.02 0.00 0.31 0.00 0.00 61.69 64.08 1a21 s THR 205 Cb -0.38 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1a21 s THR 205 CO 0.47 -0.28 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.44 1a21 s GLU 206 N -3.14 0.49 0.02 4.92 0.41 -0.85 -5.00 118.70 115.56 1a21 s GLU 206 Ca 0.63 -0.39 0.06 0.00 -0.41 0.00 0.00 54.97 54.85 1a21 s GLU 206 Cb -0.11 -0.41 -0.02 0.00 -1.78 0.00 0.00 34.13 31.81 1a21 s GLU 206 CO 0.15 0.10 -0.17 0.00 -0.49 0.00 0.00 175.26 174.86