#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 1.09 3.73 3.38 0.00 -1.26 -4.96 105.19 107.16 1a21 n GLY 5 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1a21 n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a21 s ARG 6 N -0.08 4.65 0.70 1.61 3.52 -1.26 -4.78 118.95 123.31 1a21 s ARG 6 Ca 0.00 1.41 -0.14 0.00 -0.13 0.00 0.00 55.73 56.87 1a21 s ARG 6 Cb 0.00 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1a21 s ARG 6 CO 0.00 0.17 1.12 0.00 -0.81 0.00 0.00 175.30 175.78 1a21 s ALA 7 N 0.18 2.34 0.20 6.12 0.00 -1.26 -4.81 121.76 124.53 1a21 s ALA 7 Ca 0.47 0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1a21 s ALA 7 Cb -0.23 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1a21 s ALA 7 CO 0.29 -1.50 0.25 1.52 0.00 0.00 0.00 175.76 176.32 1a21 s TYR 8 N -2.38 0.74 -1.01 0.00 1.13 0.54 -4.84 117.35 111.53 1a21 s TYR 8 Ca 0.67 -1.05 -0.06 0.00 -1.41 0.00 0.00 57.07 55.23 1a21 s TYR 8 Cb -0.21 -0.23 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 1a21 s TYR 8 CO 0.45 -0.74 0.76 0.09 -2.51 0.00 0.00 175.55 173.60 1a21 n ASN 9 N -0.27 -5.11 -4.67 -0.18 3.02 -1.26 -0.41 115.26 106.38 1a21 n ASN 9 Ca -0.02 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 1a21 n ASN 9 Cb 0.64 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 1a21 n ASN 9 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a21 s LEU 10 N -5.42 4.31 0.02 3.41 1.02 -1.26 -4.29 118.68 116.48 1a21 s LEU 10 Ca 0.38 2.19 0.00 0.00 0.02 0.00 0.00 54.13 56.72 1a21 s LEU 10 Cb -0.17 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.48 1a21 s LEU 10 CO 0.47 -0.83 -0.03 0.42 0.02 0.00 0.00 176.35 176.40 1a21 s THR 11 N 3.17 0.12 -0.30 5.49 -4.23 -0.35 -4.70 115.64 114.84 1a21 s THR 11 Ca 0.68 -0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 1a21 s THR 11 Cb -0.33 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 1a21 s THR 11 CO 0.28 -0.45 0.21 0.26 -0.54 0.00 0.00 174.62 174.37 1a21 s TRP 12 N -1.34 3.22 -0.36 3.99 0.52 -1.26 -1.99 118.94 121.72 1a21 s TRP 12 Ca -0.14 0.03 -0.14 0.00 0.02 0.00 0.00 56.10 55.86 1a21 s TRP 12 Cb -0.09 -2.42 -0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1a21 s TRP 12 CO -0.01 -0.23 0.29 0.15 0.02 0.00 0.00 176.95 177.17 1a21 s LYS 13 N 1.76 3.33 -0.10 4.98 -0.14 -0.42 -5.01 119.74 124.14 1a21 s LYS 13 Ca 0.07 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 53.91 1a21 s LYS 13 Cb -0.16 -3.87 0.05 0.00 -1.68 0.00 0.00 37.83 32.17 1a21 s LYS 13 CO 0.11 -0.57 0.23 0.45 -0.76 0.00 0.00 175.35 174.81 1a21 s SER 14 N 1.72 0.12 -0.09 2.83 0.15 -1.26 -1.76 113.70 115.41 1a21 s SER 14 Ca 0.07 0.49 -0.02 0.00 0.70 0.00 0.00 55.95 57.19 1a21 s SER 14 Cb -0.18 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.63 1a21 s SER 14 CO 0.11 -0.20 0.04 -0.89 1.20 0.00 0.00 173.24 173.49 1a21 s THR 15 N 1.80 0.17 -1.45 6.45 2.01 -0.84 -1.10 115.64 122.69 1a21 s THR 15 Ca -0.04 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 1a21 s THR 15 Cb -0.11 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.95 1a21 s THR 15 CO -0.08 0.10 0.94 0.59 -0.69 0.00 0.00 174.62 175.47 1a21 n ASN 16 N 5.20 -5.64 0.00 3.53 4.13 0.12 -2.31 115.26 120.29 1a21 n ASN 16 Ca -0.06 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1a21 n ASN 16 Cb 0.49 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 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 -4.71 0.00 -2.36 3.10 3.72 -1.26 -2.48 117.46 113.47 1a21 n PHE 17 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1a21 n PHE 17 Cb 0.56 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 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 -0.01 3.99 -0.06 -1.08 2.47 -0.98 -4.81 119.74 119.26 1a21 s LYS 18 Ca 0.00 1.45 0.03 0.00 -1.56 0.00 0.00 55.97 55.90 1a21 s LYS 18 Cb 0.00 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.50 1a21 s LYS 18 CO 0.00 -1.03 -0.16 0.99 0.16 0.00 0.00 175.35 175.31 1a21 s THR 19 N 4.27 1.38 -0.00 3.43 2.01 -1.26 -1.98 115.64 123.48 1a21 s THR 19 Ca 0.59 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1a21 s THR 19 Cb -0.20 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1a21 s THR 19 CO 0.22 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.93 1a21 s ILE 20 N 0.36 -0.00 -0.11 1.82 1.01 -0.72 -0.54 121.20 123.01 1a21 s ILE 20 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 1a21 s ILE 20 Cb -0.14 -0.02 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1a21 s ILE 20 CO 0.04 0.00 0.10 -0.22 0.00 0.00 0.00 174.94 174.85 1a21 s LEU 21 N 0.00 4.12 0.05 2.97 2.96 -0.91 -1.30 118.68 126.57 1a21 s LEU 21 Ca -0.00 0.35 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1a21 s LEU 21 Cb -0.00 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1a21 s LEU 21 CO 0.00 0.39 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.65 1a21 s GLU 22 N -0.91 1.01 0.35 1.98 2.02 -0.84 -1.58 118.70 120.73 1a21 s GLU 22 Ca 0.14 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 1a21 s GLU 22 Cb -0.12 -1.07 0.02 0.00 0.10 0.00 0.00 34.13 33.06 1a21 s GLU 22 CO 0.03 0.26 0.54 -2.67 0.02 0.00 0.00 175.26 173.44 1a21 n TRP 23 N 1.69 -1.62 -4.19 1.61 2.14 -1.14 -1.21 117.44 114.72 1a21 n TRP 23 Ca -0.19 -2.19 -0.12 0.00 2.07 0.00 0.00 57.50 57.08 1a21 n TRP 23 Cb 0.54 0.62 -0.10 0.00 -0.81 0.00 0.00 31.31 31.56 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 -2.63 0.88 0.45 -2.67 2.02 0.46 -4.83 118.70 112.38 1a21 s GLU 24 Ca 0.26 -1.31 0.08 0.00 0.02 0.00 0.00 54.97 54.01 1a21 s GLU 24 Cb -0.02 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.85 1a21 s GLU 24 CO 0.18 0.02 0.47 -1.25 0.02 0.00 0.00 175.26 174.71 1a21 s PRO 25 N -3.56 2.54 -0.20 0.39 0.04 -1.26 -0.34 135.00 132.62 1a21 s PRO 25 Ca 0.11 -1.53 -0.23 0.00 0.04 0.00 0.00 61.00 59.39 1a21 s PRO 25 Cb 0.03 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1a21 s PRO 25 CO -0.02 -0.33 0.72 0.21 0.04 0.00 0.00 177.00 177.62 1a21 s LYS 26 N -4.25 4.22 -0.04 4.56 2.47 -1.26 -4.98 119.74 120.45 1a21 s LYS 26 Ca 0.50 0.77 -0.06 0.00 -1.56 0.00 0.00 55.97 55.62 1a21 s LYS 26 Cb -0.05 -3.60 0.01 0.00 -1.46 0.00 0.00 37.83 32.74 1a21 s LYS 26 CO 0.29 -0.33 0.15 -1.54 0.16 0.00 0.00 175.35 174.09 1a21 s SER 27 N 1.24 -0.11 0.33 1.43 1.04 -1.26 -5.02 113.70 111.35 1a21 s SER 27 Ca 0.32 0.16 0.26 0.00 0.48 0.00 0.00 55.95 57.17 1a21 s SER 27 Cb -0.16 0.29 0.83 0.00 0.10 0.00 0.00 66.02 67.08 1a21 s SER 27 CO 0.10 -0.15 1.76 -0.29 0.98 0.00 0.00 173.24 175.64 1a21 h ILE 28 N 4.72 0.00 -0.60 -1.02 2.10 -1.97 -3.27 117.51 117.47 1a21 h ILE 28 Ca -0.27 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.12 1a21 h ILE 28 Cb 1.20 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 1a21 h ILE 28 CO 0.41 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.95 1a21 n ASP 29 N -2.60 4.07 -3.92 2.19 9.92 -1.26 -4.79 116.55 120.16 1a21 n ASP 29 Ca 0.04 -2.23 -0.10 0.00 -0.53 0.00 0.00 54.79 51.97 1a21 n ASP 29 Cb 0.39 -0.48 -0.12 0.00 -0.64 0.00 0.00 41.12 40.28 1a21 n ASP 29 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1a21 s HIS 30 N -1.42 0.12 0.22 1.24 3.76 -1.24 -2.01 115.29 115.97 1a21 s HIS 30 Ca 0.45 -0.24 0.10 0.00 -0.15 0.00 0.00 55.06 55.22 1a21 s HIS 30 Cb 0.26 -0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.81 1a21 s HIS 30 CO 0.25 -0.16 -0.20 0.14 -0.85 0.00 0.00 174.74 173.93 1a21 s VAL 31 N -0.97 2.20 0.11 -0.90 -7.23 0.32 -4.72 120.40 109.21 1a21 s VAL 31 Ca -0.11 -2.18 0.06 0.00 -1.81 0.00 0.00 61.98 57.95 1a21 s VAL 31 Cb -0.06 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1a21 s VAL 31 CO -0.00 -0.34 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.98 1a21 s TYR 32 N -2.27 1.49 -0.04 2.82 2.02 0.03 -1.02 117.35 120.37 1a21 s TYR 32 Ca 0.24 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1a21 s TYR 32 Cb -0.05 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.71 1a21 s TYR 32 CO 0.11 0.16 -0.16 0.99 -1.57 0.00 0.00 175.55 175.08 1a21 s THR 33 N -1.69 1.33 -0.16 -0.71 2.01 -0.77 -0.56 115.64 115.09 1a21 s THR 33 Ca 0.06 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1a21 s THR 33 Cb -0.07 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1a21 s THR 33 CO 0.03 0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.51 1a21 s VAL 34 N 0.12 2.66 0.25 3.82 1.01 -0.38 -1.19 120.40 126.68 1a21 s VAL 34 Ca -0.05 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.27 1a21 s VAL 34 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1a21 s VAL 34 CO 0.02 0.51 -0.14 -1.10 0.00 0.00 0.00 175.10 174.39 1a21 s GLN 35 N 0.88 1.87 0.05 2.72 -0.21 -1.08 -1.28 119.66 122.60 1a21 s GLN 35 Ca -0.04 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 53.79 1a21 s GLN 35 Cb -0.15 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 1a21 s GLN 35 CO -0.01 0.36 -0.09 -1.50 -2.12 0.00 0.00 175.29 171.93 1a21 s ILE 36 N -2.24 0.63 0.21 1.08 2.07 0.06 -1.45 121.20 121.57 1a21 s ILE 36 Ca 0.28 -1.14 -0.08 0.00 -1.41 0.00 0.00 60.65 58.31 1a21 s ILE 36 Cb -0.06 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1a21 s ILE 36 CO 0.16 -0.37 0.32 -0.94 -1.91 0.00 0.00 174.94 172.19 1a21 s SER 37 N -1.64 0.02 0.28 4.50 1.04 -0.23 -0.62 113.70 117.05 1a21 s SER 37 Ca -0.08 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.30 1a21 s SER 37 Cb -0.10 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1a21 s SER 37 CO 0.01 -0.98 0.20 0.42 0.98 0.00 0.00 173.24 173.86 1a21 s THR 38 N -4.06 0.07 -1.45 2.02 -4.23 -0.87 -2.17 115.64 104.96 1a21 s THR 38 Ca 0.27 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.99 1a21 s THR 38 Cb 0.03 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.73 1a21 s THR 38 CO 0.08 0.00 1.65 -2.11 -0.54 0.00 0.00 174.62 173.70 1a21 n ARG 39 N -0.50 0.30 -0.00 3.99 1.85 -1.26 -2.70 116.66 118.34 1a21 n ARG 39 Ca 0.04 0.09 0.06 0.00 -1.00 0.00 0.00 57.85 57.04 1a21 n ARG 39 Cb 0.64 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.46 1a21 n ARG 39 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1a21 n LEU 40 N -1.28 0.08 -4.34 2.89 4.77 -1.26 -4.98 117.00 112.88 1a21 n LEU 40 Ca 0.10 -0.08 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1a21 n LEU 40 Cb 0.16 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.10 1a21 n LEU 40 CO 0.16 0.02 -0.53 -1.61 -1.33 0.00 0.00 177.39 174.10 1a21 s GLU 41 N -2.70 2.54 0.52 3.23 0.41 -1.10 -5.12 118.70 116.47 1a21 s GLU 41 Ca -0.03 -0.83 -0.16 0.00 -0.41 0.00 0.00 54.97 53.53 1a21 s GLU 41 Cb 0.08 -2.24 -0.08 0.00 -1.78 0.00 0.00 34.13 30.11 1a21 s GLU 41 CO 0.49 0.46 0.99 -0.80 -0.49 0.00 0.00 175.26 175.91 1a21 s ASN 42 N -0.34 6.58 0.03 -0.19 0.01 -1.26 -2.04 114.94 117.73 1a21 s ASN 42 Ca 0.02 1.57 -0.38 0.00 -0.71 0.00 0.00 52.86 53.36 1a21 s ASN 42 Cb -0.12 -2.51 -0.19 0.00 0.41 0.00 0.00 41.25 38.84 1a21 s ASN 42 CO 0.02 -0.62 0.97 0.79 -1.51 0.00 0.00 177.10 176.76 1a21 n TRP 43 N -1.66 0.45 -4.24 2.20 5.03 -1.26 -4.70 117.44 113.26 1a21 n TRP 43 Ca 0.07 1.04 -0.18 0.00 3.03 0.00 0.00 57.50 61.45 1a21 n TRP 43 Cb 0.54 -2.05 -0.15 0.00 -1.03 0.00 0.00 31.31 28.61 1a21 n TRP 43 CO 0.00 0.00 0.00 0.21 -0.03 0.00 0.00 177.69 177.87 1a21 s LYS 44 N -0.16 0.69 0.03 -0.99 2.20 0.20 -4.90 119.74 116.82 1a21 s LYS 44 Ca 0.86 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 1a21 s LYS 44 Cb -1.21 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.39 1a21 s LYS 44 CO 0.56 0.07 0.89 -1.12 -0.36 0.00 0.00 175.35 175.39 1a21 s SER 45 N 0.24 7.32 0.00 1.43 0.01 -1.26 -0.76 113.70 120.68 1a21 s SER 45 Ca -0.03 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1a21 s SER 45 Cb -0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1a21 s SER 45 CO -0.00 -0.12 0.00 0.29 0.41 0.00 0.00 173.24 173.82 1a21 n LYS 46 N 3.31 0.00 -3.94 12.44 4.76 -0.41 -4.97 118.16 129.36 1a21 n LYS 46 Ca 0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 1a21 n LYS 46 Cb 0.50 -0.79 -0.14 0.00 -1.84 0.00 0.00 35.03 32.76 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 1.43 3.13 -1.22 0.00 0.40 -1.26 -1.25 117.98 119.21 1a21 s PHE 48 Ca 0.05 -0.45 -0.34 0.00 -0.60 0.00 0.00 56.93 55.58 1a21 s PHE 48 Cb -0.14 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.15 1a21 s PHE 48 CO -0.05 -0.38 0.65 1.28 0.70 0.00 0.00 175.22 177.42 1a21 n LEU 49 N 4.95 -0.12 -4.91 -0.37 4.77 -0.64 -4.96 117.00 115.72 1a21 n LEU 49 Ca -0.15 -1.31 -0.22 0.00 -0.03 0.00 0.00 56.01 54.31 1a21 n LEU 49 Cb 0.51 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 1a21 n LEU 49 CO 0.32 0.82 -0.10 0.28 -1.33 0.00 0.00 177.39 177.38 1a21 s THR 50 N -3.57 4.93 -0.83 -5.08 -1.32 0.28 -4.67 115.64 105.38 1a21 s THR 50 Ca 0.48 -1.14 0.23 0.00 -1.21 0.00 0.00 61.69 60.06 1a21 s THR 50 Cb -0.27 -3.66 -0.08 0.00 -1.51 0.00 0.00 72.50 66.98 1a21 s THR 50 CO 0.97 -0.32 1.16 0.00 -2.21 0.00 0.00 174.62 174.22 1a21 n ALA 51 N -1.25 3.69 -1.78 11.08 0.00 -1.26 -0.79 120.51 130.19 1a21 n ALA 51 Ca -0.08 -0.41 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1a21 n ALA 51 Cb 0.57 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.09 3.62 -0.43 0.00 0.41 -1.26 -4.82 118.70 113.14 1a21 s GLU 52 Ca 0.07 1.53 0.04 0.00 -0.41 0.00 0.00 54.97 56.21 1a21 s GLU 52 Cb 0.16 -2.12 0.52 0.00 -1.78 0.00 0.00 34.13 30.91 1a21 s GLU 52 CO 0.77 -0.61 1.67 0.25 -0.49 0.00 0.00 175.26 176.86 1a21 n THR 53 N -1.00 2.99 -3.70 3.63 -2.24 -1.26 -4.84 114.28 107.85 1a21 n THR 53 Ca 0.10 -2.88 -0.14 0.00 -2.27 0.00 0.00 64.05 58.86 1a21 n THR 53 Cb 0.51 -0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.48 0.65 -0.12 -0.78 -1.05 -1.26 -2.87 118.70 109.79 1a21 s GLU 54 Ca 0.54 0.34 -0.03 0.00 -0.15 0.00 0.00 54.97 55.67 1a21 s GLU 54 Cb 0.45 0.31 0.05 0.00 -0.44 0.00 0.00 34.13 34.50 1a21 s GLU 54 CO 0.03 -0.14 0.06 0.00 0.95 0.00 0.00 175.26 176.16 1a21 s ASP 56 N 2.08 6.80 -0.05 0.00 2.15 -1.26 -2.15 116.67 124.24 1a21 s ASP 56 Ca 0.03 2.02 0.09 0.00 0.43 0.00 0.00 52.55 55.12 1a21 s ASP 56 Cb -0.15 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.15 1a21 s ASP 56 CO -0.07 -0.82 1.17 0.18 -0.17 0.00 0.00 175.17 175.45 1a21 n LEU 57 N 6.57 2.62 -0.19 -1.34 4.77 0.30 -4.77 117.00 124.96 1a21 n LEU 57 Ca 0.15 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1a21 n LEU 57 Cb 0.44 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1a21 n LEU 57 CO 0.59 0.63 0.85 0.74 -1.33 0.00 0.00 177.39 178.87 1a21 h THR 58 N 0.89 0.54 -0.13 -5.08 2.02 -1.77 -2.21 112.91 107.17 1a21 h THR 58 Ca 0.00 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1a21 h THR 58 Cb 0.79 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1a21 h THR 58 CO 0.03 0.02 0.10 0.44 0.37 0.00 0.00 175.52 176.48 1a21 h ASP 59 N 0.13 0.00 0.00 4.18 3.32 -1.91 -2.26 116.42 119.88 1a21 h ASP 59 Ca 0.30 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1a21 h ASP 59 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1a21 h ASP 59 CO -0.48 0.00 -0.49 -0.08 -1.72 0.00 0.00 179.24 176.47 1a21 h GLU 60 N 0.00 0.00 -0.07 3.56 4.57 -1.79 -3.37 114.58 117.48 1a21 h GLU 60 Ca 0.06 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1a21 h GLU 60 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1a21 h GLU 60 CO -0.00 0.95 -0.24 -0.39 -1.18 0.00 0.00 179.01 178.15 1a21 h VAL 61 N -1.00 1.21 0.00 0.32 -1.51 -1.31 -2.72 116.25 111.23 1a21 h VAL 61 Ca -0.13 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1a21 h VAL 61 Cb 1.07 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1a21 h VAL 61 CO -0.08 0.28 0.00 1.33 -1.23 0.00 0.00 177.57 177.87 1a21 n VAL 62 N -4.21 0.08 0.23 7.19 0.24 -0.86 -2.90 118.33 118.09 1a21 n VAL 62 Ca -0.02 0.02 0.11 0.00 -2.04 0.00 0.00 64.34 62.42 1a21 n VAL 62 Cb 0.32 -0.58 0.50 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.00 0.00 -0.88 7.34 1.57 -1.64 -3.40 116.57 119.57 1a21 h LYS 63 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1a21 h LYS 63 Cb 0.15 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.27 1a21 h LYS 63 CO 0.00 0.19 -0.40 0.34 -0.57 0.00 0.00 179.45 179.01 1a21 s ASP 64 N -6.13 -1.35 0.00 0.86 -1.08 -1.14 -5.02 116.67 102.81 1a21 s ASP 64 Ca 0.00 -0.72 0.10 0.00 -0.52 0.00 0.00 52.55 51.41 1a21 s ASP 64 Cb 0.10 1.73 0.44 0.00 -1.46 0.00 0.00 42.92 43.73 1a21 s ASP 64 CO 0.62 -0.15 1.26 1.33 0.52 0.00 0.00 175.17 178.76 1a21 n VAL 65 N 4.25 1.14 0.97 1.11 0.24 -1.22 -2.06 118.33 122.76 1a21 n VAL 65 Ca 0.10 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.80 1a21 n VAL 65 Cb 0.58 -1.12 0.17 0.00 -1.47 0.00 0.00 33.84 32.00 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 -0.50 -1.20 3.87 7.63 0.00 -1.26 -1.95 105.19 111.77 1a21 n GLY 66 Ca 0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1a21 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a21 s GLN 67 N -3.01 3.82 -0.20 1.61 2.00 -0.88 -4.97 119.66 118.03 1a21 s GLN 67 Ca 0.10 0.60 -0.09 0.00 -2.00 0.00 0.00 55.36 53.97 1a21 s GLN 67 Cb 0.17 -2.32 -0.05 0.00 0.80 0.00 0.00 33.01 31.62 1a21 s GLN 67 CO 0.74 -0.11 0.11 0.99 -0.50 0.00 0.00 175.29 176.52 1a21 s THR 68 N -2.45 5.22 0.21 -0.34 2.01 -1.26 -4.20 115.64 114.82 1a21 s THR 68 Ca 0.53 0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1a21 s THR 68 Cb -0.10 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1a21 s THR 68 CO 0.32 0.43 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.22 1a21 s TYR 69 N 0.46 2.47 0.00 4.92 1.51 0.59 -4.52 117.35 122.79 1a21 s TYR 69 Ca 0.07 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1a21 s TYR 69 Cb -0.12 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1a21 s TYR 69 CO -0.01 0.55 -0.02 1.41 -1.11 0.00 0.00 175.55 176.38 1a21 s MET 70 N -2.98 0.16 0.33 -0.62 1.75 -0.92 -0.28 119.30 116.75 1a21 s MET 70 Ca 0.25 -0.13 0.10 0.00 -1.25 0.00 0.00 55.69 54.66 1a21 s MET 70 Cb -0.08 -0.12 -0.06 0.00 2.84 0.00 0.00 34.83 37.41 1a21 s MET 70 CO 0.14 0.03 -0.09 0.00 -0.65 0.00 0.00 175.02 174.45 1a21 s ALA 71 N -0.20 2.97 -0.01 4.11 0.00 -1.26 -1.07 121.76 126.31 1a21 s ALA 71 Ca -0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 51.96 49.87 1a21 s ALA 71 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1a21 s ALA 71 CO -0.00 0.11 0.09 -0.98 0.00 0.00 0.00 175.76 174.98 1a21 s ARG 72 N -3.61 0.31 -0.24 0.00 1.70 -0.53 -0.09 118.95 116.48 1a21 s ARG 72 Ca 0.32 -0.24 -0.07 0.00 -0.47 0.00 0.00 55.73 55.28 1a21 s ARG 72 Cb 0.01 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1a21 s ARG 72 CO 0.17 -0.06 0.05 0.08 -1.08 0.00 0.00 175.30 174.45 1a21 s VAL 73 N -0.86 4.18 -0.14 4.99 1.01 -0.57 -2.65 120.40 126.37 1a21 s VAL 73 Ca -0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1a21 s VAL 73 Cb -0.06 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1a21 s VAL 73 CO 0.00 0.36 0.10 -0.76 0.00 0.00 0.00 175.10 174.81 1a21 s LEU 74 N 1.47 4.11 -0.14 3.92 1.43 -0.34 -2.59 118.68 126.55 1a21 s LEU 74 Ca 0.06 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1a21 s LEU 74 Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1a21 s LEU 74 CO 0.03 0.32 0.06 -0.44 0.23 0.00 0.00 176.35 176.54 1a21 s SER 75 N -0.47 5.67 0.07 2.29 0.01 -0.91 -1.86 113.70 118.50 1a21 s SER 75 Ca 0.11 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.57 1a21 s SER 75 Cb -0.12 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1a21 s SER 75 CO 0.02 0.29 -0.06 -0.31 0.41 0.00 0.00 173.24 173.58 1a21 s TYR 76 N -0.33 0.73 0.62 2.43 2.02 -0.19 -4.14 117.35 118.50 1a21 s TYR 76 Ca 0.09 -0.77 -0.14 0.00 -0.37 0.00 0.00 57.07 55.88 1a21 s TYR 76 Cb -0.12 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1a21 s TYR 76 CO 0.02 -0.16 1.05 -2.14 -1.57 0.00 0.00 175.55 172.74 1a21 s PRO 77 N -2.92 3.30 0.00 -1.71 0.02 -1.26 -0.52 135.00 131.90 1a21 s PRO 77 Ca 0.02 1.04 0.10 0.00 0.02 0.00 0.00 61.00 62.18 1a21 s PRO 77 Cb -0.01 -2.04 0.58 0.00 0.02 0.00 0.00 34.50 33.06 1a21 s PRO 77 CO -0.03 -0.82 1.02 0.00 -0.33 0.00 0.00 177.00 176.84 1a21 n ALA 78 N -2.42 2.03 0.00 -1.55 0.00 -0.85 -4.43 120.51 113.29 1a21 n ALA 78 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1a21 n ALA 78 Cb 0.53 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1a21 n ALA 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a21 n ASN 82 N -0.82 0.00 0.00 0.00 5.15 -1.26 -5.00 115.26 113.33 1a21 n ASN 82 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1a21 n ASN 82 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1a21 n ASN 82 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a21 n THR 83 N -1.84 0.00 -3.66 -0.44 -2.24 -1.26 -5.10 114.28 99.74 1a21 n THR 83 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1a21 n THR 83 Cb 0.00 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 1a21 n THR 83 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a21 s THR 84 N -1.63 0.06 -1.66 4.28 -4.23 -1.26 -5.03 115.64 106.17 1a21 s THR 84 Ca 0.00 -0.48 0.28 0.00 -1.18 0.00 0.00 61.69 60.31 1a21 s THR 84 Cb 0.00 -1.01 0.43 0.00 1.34 0.00 0.00 72.50 73.27 1a21 s THR 84 CO 0.00 -0.27 1.83 0.61 -0.54 0.00 0.00 174.62 176.25 1a21 n GLY 85 N 0.33 -0.91 2.80 3.99 0.00 -1.26 -4.34 105.19 105.80 1a21 n GLY 85 Ca -0.18 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.92 3.44 -2.57 1.61 3.01 -1.26 -5.11 117.46 115.65 1a21 n PHE 86 Ca 0.14 -4.24 -0.35 0.00 1.01 0.00 0.00 57.45 54.01 1a21 n PHE 86 Cb 0.29 -0.66 -0.04 0.00 -0.01 0.00 0.00 39.48 39.06 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 -1.75 4.00 0.51 -1.08 0.04 -1.26 -5.04 135.00 130.42 1a21 s PRO 87 Ca 0.29 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1a21 s PRO 87 Cb 0.01 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1a21 s PRO 87 CO -0.12 -0.27 1.05 -1.21 0.04 0.00 0.00 177.00 176.49 1a21 s GLU 88 N -2.92 3.66 0.49 4.56 2.02 -1.26 -5.00 118.70 120.25 1a21 s GLU 88 Ca 0.63 1.34 -0.24 0.00 0.02 0.00 0.00 54.97 56.72 1a21 s GLU 88 Cb -0.18 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 1a21 s GLU 88 CO 0.22 -0.54 1.40 -1.21 0.02 0.00 0.00 175.26 175.15 1a21 s GLU 89 N -3.43 3.46 0.08 1.61 0.41 -1.26 -4.94 118.70 114.63 1a21 s GLU 89 Ca 0.67 2.34 -0.31 0.00 -0.41 0.00 0.00 54.97 57.26 1a21 s GLU 89 Cb -0.17 -2.49 -0.08 0.00 -1.78 0.00 0.00 34.13 29.61 1a21 s GLU 89 CO 0.24 -0.97 1.51 -2.14 -0.49 0.00 0.00 175.26 173.42 1a21 s PRO 90 N -2.64 4.25 0.71 0.39 0.02 -1.26 -4.98 135.00 131.49 1a21 s PRO 90 Ca 0.65 2.19 -0.16 0.00 0.02 0.00 0.00 61.00 63.70 1a21 s PRO 90 Cb -0.42 -3.43 0.03 0.00 0.02 0.00 0.00 34.50 30.69 1a21 s PRO 90 CO 0.53 -0.60 1.23 -2.14 -0.33 0.00 0.00 177.00 175.69 1a21 s PRO 91 N 1.97 2.22 0.23 5.54 0.02 -1.26 -4.80 135.00 138.91 1a21 s PRO 91 Ca 0.69 1.86 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1a21 s PRO 91 Cb -0.38 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 1a21 s PRO 91 CO 0.30 -1.80 0.10 -0.59 -0.33 0.00 0.00 177.00 174.68 1a21 s PHE 92 N -1.81 1.37 -0.28 6.54 -0.71 -1.26 -2.14 117.98 119.69 1a21 s PHE 92 Ca 0.77 -1.23 -0.07 0.00 -1.04 0.00 0.00 56.93 55.36 1a21 s PHE 92 Cb -0.32 -0.76 0.14 0.00 -1.21 0.00 0.00 43.02 40.87 1a21 s PHE 92 CO 0.44 -0.42 0.59 0.50 -1.34 0.00 0.00 175.22 174.98 1a21 s ARG 93 N -4.06 0.52 0.36 1.99 6.06 -1.07 -4.80 118.95 117.96 1a21 s ARG 93 Ca 0.36 1.23 -0.24 0.00 -2.50 0.00 0.00 55.73 54.58 1a21 s ARG 93 Cb 0.07 0.64 -0.10 0.00 0.06 0.00 0.00 34.95 35.62 1a21 s ARG 93 CO 0.12 -0.33 0.95 -0.80 -2.50 0.00 0.00 175.30 172.74 1a21 s ASN 94 N 2.82 7.18 0.60 -2.12 0.01 -1.26 -1.51 114.94 120.67 1a21 s ASN 94 Ca 0.02 1.81 -0.02 0.00 -0.71 0.00 0.00 52.86 53.96 1a21 s ASN 94 Cb -0.13 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 39.00 1a21 s ASN 94 CO -0.18 -0.19 0.86 -0.94 -1.51 0.00 0.00 177.10 175.14 1a21 s SER 95 N -1.79 5.14 0.72 -1.22 1.04 0.86 -4.97 113.70 113.49 1a21 s SER 95 Ca 0.54 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 1a21 s SER 95 Cb -0.16 -1.00 0.03 0.00 0.10 0.00 0.00 66.02 64.99 1a21 s SER 95 CO 0.21 -1.29 1.11 -2.84 0.98 0.00 0.00 173.24 171.41 1a21 s PRO 96 N -4.94 2.44 0.78 4.02 0.02 -1.26 -4.70 135.00 131.35 1a21 s PRO 96 Ca 0.58 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.81 1a21 s PRO 96 Cb -0.10 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.57 1a21 s PRO 96 CO 0.41 -1.52 1.12 -1.21 -0.33 0.00 0.00 177.00 175.46 1a21 s GLU 97 N -4.45 2.07 -0.07 5.54 2.02 -1.26 -4.63 118.70 117.92 1a21 s GLU 97 Ca 0.65 1.37 -0.03 0.00 0.02 0.00 0.00 54.97 56.98 1a21 s GLU 97 Cb -0.20 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.21 1a21 s GLU 97 CO 0.49 -1.81 0.14 0.12 0.02 0.00 0.00 175.26 174.21 1a21 s PHE 98 N -2.63 -0.13 -0.28 1.61 5.36 0.62 -4.96 117.98 117.57 1a21 s PHE 98 Ca 0.65 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.15 1a21 s PHE 98 Cb -0.20 -0.24 0.07 0.00 -0.34 0.00 0.00 43.02 42.31 1a21 s PHE 98 CO 0.52 -0.22 -0.06 0.99 -1.46 0.00 0.00 175.22 174.99 1a21 s THR 99 N 1.89 2.11 0.19 0.12 2.01 -1.26 -0.30 115.64 120.39 1a21 s THR 99 Ca -0.01 -1.76 -0.18 0.00 0.31 0.00 0.00 61.69 60.05 1a21 s THR 99 Cb -0.12 -2.31 0.14 0.00 0.01 0.00 0.00 72.50 70.22 1a21 s THR 99 CO -0.05 -0.18 1.61 -0.65 -0.69 0.00 0.00 174.62 174.66 1a21 h PRO 100 N 7.76 -0.12 -0.96 4.92 0.11 -1.73 0.10 132.00 142.08 1a21 h PRO 100 Ca -0.15 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.12 1a21 h PRO 100 Cb 1.04 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1a21 h PRO 100 CO 0.47 -0.08 0.61 -0.92 -0.21 0.00 0.00 178.00 177.87 1a21 h TYR 101 N -0.12 0.96 0.00 0.65 3.20 -1.73 -2.10 116.97 117.83 1a21 h TYR 101 Ca 0.24 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 1a21 h TYR 101 Cb 0.50 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1a21 h TYR 101 CO -0.54 0.32 -1.85 1.28 -1.64 0.00 0.00 178.16 175.73 1a21 n LEU 102 N -4.63 0.28 -0.00 2.82 4.77 -0.77 -4.68 117.00 114.78 1a21 n LEU 102 Ca 0.20 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1a21 n LEU 102 Cb 0.49 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1a21 n LEU 102 CO 0.27 0.12 -0.31 0.47 -1.33 0.00 0.00 177.39 176.61 1a21 n ASP 103 N -2.55 1.27 -4.75 -1.43 8.00 0.29 -4.96 116.55 112.41 1a21 n ASP 103 Ca -0.11 -0.43 -0.41 0.00 0.71 0.00 0.00 54.79 54.55 1a21 n ASP 103 Cb 0.76 1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 43.09 1a21 n ASP 103 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1a21 s THR 104 N -2.50 3.28 0.38 -3.53 -1.32 -0.80 -4.89 115.64 106.26 1a21 s THR 104 Ca 0.00 1.16 -0.25 0.00 -1.21 0.00 0.00 61.69 61.40 1a21 s THR 104 Cb 0.09 -3.74 -0.09 0.00 -1.51 0.00 0.00 72.50 67.25 1a21 s THR 104 CO 0.52 0.23 1.08 0.20 -2.21 0.00 0.00 174.62 174.44 1a21 s ASN 105 N -0.22 6.79 0.09 8.08 0.01 -0.26 -4.81 114.94 124.62 1a21 s ASN 105 Ca 0.51 2.14 -0.27 0.00 -0.71 0.00 0.00 52.86 54.52 1a21 s ASN 105 Cb -0.35 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.65 1a21 s ASN 105 CO 0.42 -0.47 0.85 -0.76 -1.51 0.00 0.00 177.10 175.63 1a21 s LEU 106 N -2.40 4.49 0.47 0.60 1.43 -1.26 -0.70 118.68 121.30 1a21 s LEU 106 Ca 0.55 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1a21 s LEU 106 Cb -0.26 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 1a21 s LEU 106 CO 0.32 -0.00 0.86 -0.83 0.23 0.00 0.00 176.35 176.93 1a21 s GLY 107 N -0.15 1.88 0.03 -3.19 0.00 -1.26 -4.33 107.32 100.29 1a21 s GLY 107 Ca 0.42 -0.13 -0.35 0.00 0.00 0.00 0.00 44.72 44.65 1a21 s GLY 107 CO 0.26 0.09 1.63 -0.18 0.00 0.00 0.00 173.10 174.90 1a21 n GLN 108 N -1.67 1.83 -1.52 2.90 7.27 -1.26 -4.74 117.38 120.19 1a21 n GLN 108 Ca 0.04 0.66 -0.30 0.00 0.07 0.00 0.00 57.00 57.47 1a21 n GLN 108 Cb 0.54 -2.42 0.19 0.00 2.41 0.00 0.00 30.24 30.96 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 1.98 0.16 -0.06 3.69 0.02 -1.26 -5.02 135.00 134.52 1a21 s PRO 109 Ca 0.86 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1a21 s PRO 109 Cb -0.79 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.00 1a21 s PRO 109 CO 0.47 -2.79 -0.04 0.99 -0.33 0.00 0.00 177.00 175.30 1a21 s THR 110 N -3.40 0.58 -0.24 0.99 2.01 -1.26 -4.59 115.64 109.74 1a21 s THR 110 Ca 0.70 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 1a21 s THR 110 Cb -0.09 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1a21 s THR 110 CO 0.54 0.25 1.25 -0.63 -0.69 0.00 0.00 174.62 175.34 1a21 s ILE 111 N 1.19 4.27 -0.00 1.82 1.01 -1.26 -0.73 121.20 127.50 1a21 s ILE 111 Ca -0.07 1.49 -0.19 0.00 0.00 0.00 0.00 60.65 61.88 1a21 s ILE 111 Cb -0.14 -4.11 -0.29 0.00 0.01 0.00 0.00 42.46 37.93 1a21 s ILE 111 CO -0.02 -0.30 1.01 -0.61 0.00 0.00 0.00 174.94 175.03 1a21 h GLN 112 N 8.60 0.43 -2.53 2.79 4.15 -0.97 -3.45 115.11 124.13 1a21 h GLN 112 Ca -0.25 -0.61 0.13 0.00 0.77 0.00 0.00 58.65 58.69 1a21 h GLN 112 Cb 1.09 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.90 1a21 h GLN 112 CO 1.00 1.26 0.41 -1.54 -1.93 0.00 0.00 178.83 178.02 1a21 s SER 113 N -7.07 -0.25 0.21 -0.69 1.04 -1.10 -5.00 113.70 100.84 1a21 s SER 113 Ca -0.12 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1a21 s SER 113 Cb 0.03 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1a21 s SER 113 CO 0.86 -0.97 0.76 0.72 0.98 0.00 0.00 173.24 175.60 1a21 s PHE 114 N -3.44 -0.25 0.00 5.02 -0.71 -1.26 -0.92 117.98 116.42 1a21 s PHE 114 Ca 0.10 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 1a21 s PHE 114 Cb -0.02 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 1a21 s PHE 114 CO 0.01 -1.03 0.00 -0.85 -1.34 0.00 0.00 175.22 172.00 1a21 n GLU 115 N -0.44 0.00 -3.85 1.99 0.28 -0.82 -5.01 120.64 112.80 1a21 n GLU 115 Ca -0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.57 1a21 n GLU 115 Cb 0.61 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.34 1a21 n GLU 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1a21 s GLN 116 N -0.87 2.97 -0.35 3.44 0.74 -1.26 -1.22 119.66 123.11 1a21 s GLN 116 Ca 0.00 -0.92 0.02 0.00 0.05 0.00 0.00 55.36 54.52 1a21 s GLN 116 Cb 0.00 -3.20 0.10 0.00 1.10 0.00 0.00 33.01 31.01 1a21 s GLN 116 CO 0.00 -0.43 0.07 0.14 -0.55 0.00 0.00 175.29 174.52 1a21 s VAL 117 N 1.42 2.52 0.00 1.34 -7.23 0.22 -4.99 120.40 113.67 1a21 s VAL 117 Ca 0.01 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1a21 s VAL 117 Cb -0.17 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1a21 s VAL 117 CO -0.01 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1a21 n GLY 118 N 4.35 1.47 0.81 2.32 0.00 -1.26 -1.93 105.19 110.95 1a21 n GLY 118 Ca 0.01 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1a21 n GLY 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a21 n THR 119 N 0.00 0.00 -4.79 2.61 -1.04 -1.26 -3.84 114.28 105.96 1a21 n THR 119 Ca 0.00 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 61.27 1a21 n THR 119 Cb 0.00 1.28 -0.13 0.00 -1.82 0.00 0.00 70.33 69.67 1a21 n THR 119 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1a21 s LYS 120 N -2.08 2.47 -0.12 -2.82 -0.14 -0.81 -0.17 119.74 116.07 1a21 s LYS 120 Ca 0.28 -0.73 0.03 0.00 -1.36 0.00 0.00 55.97 54.19 1a21 s LYS 120 Cb 0.20 -2.38 0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1a21 s LYS 120 CO 0.35 0.61 -0.20 -1.17 -0.76 0.00 0.00 175.35 174.18 1a21 s LEU 121 N -0.91 1.98 -0.07 3.17 2.96 -0.24 -0.61 118.68 124.96 1a21 s LEU 121 Ca 0.13 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1a21 s LEU 121 Cb -0.11 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1a21 s LEU 121 CO 0.02 0.08 -0.19 0.21 -1.32 0.00 0.00 176.35 175.15 1a21 s ASN 122 N 0.77 3.58 -0.02 3.68 3.84 -0.36 -1.99 114.94 124.45 1a21 s ASN 122 Ca -0.09 -0.37 0.01 0.00 0.21 0.00 0.00 52.86 52.61 1a21 s ASN 122 Cb -0.16 -1.04 0.01 0.00 -0.55 0.00 0.00 41.25 39.50 1a21 s ASN 122 CO 0.00 0.25 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.83 1a21 s VAL 123 N -0.19 0.44 -0.07 -5.21 1.01 -0.53 -1.94 120.40 113.91 1a21 s VAL 123 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1a21 s VAL 123 Cb -0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1a21 s VAL 123 CO 0.03 0.15 -0.21 -0.89 0.00 0.00 0.00 175.10 174.19 1a21 s THR 124 N 0.25 1.78 -0.10 3.92 2.01 -0.09 -0.48 115.64 122.93 1a21 s THR 124 Ca -0.03 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1a21 s THR 124 Cb -0.07 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1a21 s THR 124 CO -0.00 0.50 0.25 -0.69 -0.69 0.00 0.00 174.62 173.99 1a21 s VAL 125 N 0.20 5.32 0.33 3.82 1.01 -0.29 -0.34 120.40 130.44 1a21 s VAL 125 Ca -0.11 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1a21 s VAL 125 Cb -0.15 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1a21 s VAL 125 CO 0.05 0.54 1.36 -1.58 0.00 0.00 0.00 175.10 175.48 1a21 s GLN 126 N -0.61 4.29 -0.23 2.72 0.74 0.10 -4.71 119.66 121.96 1a21 s GLN 126 Ca 0.17 2.31 -0.29 0.00 0.05 0.00 0.00 55.36 57.61 1a21 s GLN 126 Cb -0.14 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 1a21 s GLN 126 CO 0.06 -0.30 1.87 0.34 -0.55 0.00 0.00 175.29 176.72 1a21 s ASP 127 N -0.31 5.98 0.34 6.67 2.15 -1.26 -4.76 116.67 125.48 1a21 s ASP 127 Ca 0.51 1.70 -0.25 0.00 0.43 0.00 0.00 52.55 54.94 1a21 s ASP 127 Cb -0.42 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.58 1a21 s ASP 127 CO 0.54 -1.57 0.94 0.00 -0.17 0.00 0.00 175.17 174.91 1a21 s ALA 128 N 6.49 3.19 -0.05 3.66 0.00 -1.26 -5.01 121.76 128.78 1a21 s ALA 128 Ca 0.84 0.50 0.01 0.00 0.00 0.00 0.00 51.96 53.30 1a21 s ALA 128 Cb -0.28 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1a21 s ALA 128 CO 0.34 0.17 -0.03 1.03 0.00 0.00 0.00 175.76 177.27 1a21 s ARG 129 N -2.22 2.79 0.57 0.00 0.52 -1.26 -1.36 118.95 117.99 1a21 s ARG 129 Ca 0.52 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 1a21 s ARG 129 Cb -0.17 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.71 1a21 s ARG 129 CO 0.22 0.66 0.58 0.95 0.02 0.00 0.00 175.30 177.72 1a21 s THR 130 N -0.92 1.74 -2.28 0.02 -4.23 -0.89 -4.79 115.64 104.29 1a21 s THR 130 Ca 0.15 -1.30 0.20 0.00 -1.18 0.00 0.00 61.69 59.56 1a21 s THR 130 Cb -0.11 -2.04 0.44 0.00 1.34 0.00 0.00 72.50 72.13 1a21 s THR 130 CO 0.05 0.00 1.51 0.18 -0.54 0.00 0.00 174.62 175.82 1a21 n LEU 131 N -2.00 1.87 -4.70 4.79 7.99 -1.03 -4.50 117.00 119.42 1a21 n LEU 131 Ca 0.05 -0.80 -0.42 0.00 -0.01 0.00 0.00 56.01 54.84 1a21 n LEU 131 Cb 0.63 -0.13 -0.03 0.00 -0.11 0.00 0.00 43.42 43.79 1a21 n LEU 131 CO 0.39 0.40 1.02 -0.69 -1.51 0.00 0.00 177.39 177.00 1a21 s VAL 132 N -1.74 3.77 -0.06 4.08 1.01 -1.26 -4.94 120.40 121.26 1a21 s VAL 132 Ca 0.32 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1a21 s VAL 132 Cb 0.18 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1a21 s VAL 132 CO 0.26 0.05 -0.05 -0.60 0.00 0.00 0.00 175.10 174.75 1a21 s ARG 133 N 1.71 1.02 -0.35 2.72 6.06 -1.26 -2.31 118.95 126.54 1a21 s ARG 133 Ca 0.62 -0.14 0.08 0.00 -2.50 0.00 0.00 55.73 53.78 1a21 s ARG 133 Cb -0.31 -1.04 0.65 0.00 0.06 0.00 0.00 34.95 34.31 1a21 s ARG 133 CO 0.27 -0.11 1.74 0.54 -2.50 0.00 0.00 175.30 175.24 1a21 n ARG 134 N 4.26 2.78 0.00 5.12 5.12 -1.26 -4.83 116.66 127.84 1a21 n ARG 134 Ca -0.21 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.65 1a21 n ARG 134 Cb 0.51 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 1a21 n ARG 134 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1a21 n ASN 135 N -0.72 0.00 -0.01 0.55 4.13 -1.26 -4.97 115.26 112.97 1a21 n ASN 135 Ca 0.44 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.69 1a21 n ASN 135 Cb 1.37 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 39.61 1a21 n ASN 135 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1a21 h GLY 136 N 0.00 0.00 -3.08 7.41 0.00 -1.99 -3.49 103.07 101.92 1a21 h GLY 136 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1a21 h GLY 136 CO 0.00 0.00 0.16 -0.51 0.00 0.00 0.00 176.54 176.19 1a21 s THR 137 N -1.19 4.54 -0.21 4.70 -4.23 -1.26 -5.05 115.64 112.95 1a21 s THR 137 Ca -0.02 1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 61.50 1a21 s THR 137 Cb 0.00 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 1a21 s THR 137 CO 0.02 -0.02 0.81 -0.36 -0.54 0.00 0.00 174.62 174.53 1a21 s PHE 138 N -1.79 3.37 0.42 3.99 0.40 -1.26 -4.16 117.98 118.94 1a21 s PHE 138 Ca 0.51 1.16 -0.17 0.00 -0.60 0.00 0.00 56.93 57.83 1a21 s PHE 138 Cb -0.13 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.30 1a21 s PHE 138 CO 0.19 -0.30 0.88 -0.51 0.70 0.00 0.00 175.22 176.17 1a21 s LEU 139 N 2.43 3.88 0.76 -0.37 1.43 -0.98 -4.83 118.68 121.00 1a21 s LEU 139 Ca 0.36 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1a21 s LEU 139 Cb -0.16 -4.34 0.05 0.00 0.03 0.00 0.00 46.19 41.77 1a21 s LEU 139 CO 0.10 -0.38 1.09 -0.94 0.23 0.00 0.00 176.35 176.44 1a21 s SER 140 N -2.57 4.82 0.22 2.29 1.04 -1.26 -2.09 113.70 116.16 1a21 s SER 140 Ca 0.58 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.30 1a21 s SER 140 Cb -0.10 -2.14 0.19 0.00 0.10 0.00 0.00 66.02 64.08 1a21 s SER 140 CO 0.21 -1.76 1.81 0.25 0.98 0.00 0.00 173.24 174.72 1a21 h LEU 141 N -0.95 1.10 -1.53 2.42 5.85 -1.53 -0.96 115.31 119.72 1a21 h LEU 141 Ca -0.46 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 1a21 h LEU 141 Cb 1.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1a21 h LEU 141 CO 0.59 0.94 -0.24 -0.09 -0.34 0.00 0.00 178.44 179.31 1a21 h ARG 142 N 1.18 0.00 -0.06 1.25 9.65 -1.92 -1.54 114.38 122.94 1a21 h ARG 142 Ca 0.28 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 59.03 1a21 h ARG 142 Cb 0.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1a21 h ARG 142 CO -0.03 0.24 -0.55 0.00 2.80 0.00 0.00 179.97 182.42 1a21 h ALA 143 N 1.76 0.96 0.00 2.80 0.00 -1.54 0.01 119.26 123.25 1a21 h ALA 143 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1a21 h ALA 143 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a21 h ALA 143 CO 0.03 0.69 -0.26 0.28 0.00 0.00 0.00 179.25 180.00 1a21 h VAL 144 N 0.13 1.53 0.00 0.00 2.07 -1.20 -3.40 116.25 115.39 1a21 h VAL 144 Ca -0.00 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.27 1a21 h VAL 144 Cb 1.02 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1a21 h VAL 144 CO 0.08 0.52 -0.66 -0.26 0.02 0.00 0.00 177.57 177.27 1a21 h PHE 145 N -1.00 0.00 0.00 1.57 0.04 -1.38 -3.50 116.94 112.68 1a21 h PHE 145 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1a21 h PHE 145 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1a21 h PHE 145 CO 0.23 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1a21 n GLY 146 N 1.16 3.30 0.28 -1.45 0.00 -0.01 -1.64 105.19 106.83 1a21 n GLY 146 Ca 0.01 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.12 1a21 n GLY 146 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a21 h LYS 147 N 0.00 0.00 -0.30 1.61 3.64 -1.93 -3.03 116.57 116.56 1a21 h LYS 147 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1a21 h LYS 147 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1a21 h LYS 147 CO 0.00 0.00 0.03 -0.44 -2.27 0.00 0.00 179.45 176.77 1a21 h ASP 148 N 0.00 0.40 -3.20 4.20 5.19 -1.71 -3.43 116.42 117.87 1a21 h ASP 148 Ca 0.00 -0.06 -0.55 0.00 -0.62 0.00 0.00 57.03 55.80 1a21 h ASP 148 Cb 0.33 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1a21 h ASP 148 CO 0.00 0.44 0.60 -0.22 -3.12 0.00 0.00 179.24 176.94 1a21 s LEU 149 N -9.09 4.28 0.35 1.55 2.96 -1.15 -4.34 118.68 113.24 1a21 s LEU 149 Ca -0.07 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1a21 s LEU 149 Cb 0.16 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1a21 s LEU 149 CO 0.74 -0.49 0.12 0.20 -1.32 0.00 0.00 176.35 175.61 1a21 s ASN 150 N 1.24 2.22 0.01 3.68 0.01 -0.03 -4.76 114.94 117.31 1a21 s ASN 150 Ca 0.53 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.12 1a21 s ASN 150 Cb -0.22 0.32 -0.01 0.00 0.41 0.00 0.00 41.25 41.75 1a21 s ASN 150 CO 0.22 -0.83 -0.01 -0.31 -1.51 0.00 0.00 177.10 174.65 1a21 s TYR 151 N -3.38 0.11 -0.03 2.20 2.02 -0.76 -0.77 117.35 116.74 1a21 s TYR 151 Ca 0.31 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.88 1a21 s TYR 151 Cb 0.05 -0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.51 1a21 s TYR 151 CO 0.16 -0.06 -0.18 0.99 -1.57 0.00 0.00 175.55 174.88 1a21 s THR 152 N -0.50 2.73 -0.13 -0.71 2.01 0.02 -1.17 115.64 117.90 1a21 s THR 152 Ca -0.05 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1a21 s THR 152 Cb -0.03 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1a21 s THR 152 CO -0.00 0.55 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.17 1a21 s LEU 153 N -0.81 2.96 -0.26 4.42 2.96 -0.25 -0.92 118.68 126.80 1a21 s LEU 153 Ca 0.12 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1a21 s LEU 153 Cb -0.10 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1a21 s LEU 153 CO 0.01 0.18 0.10 -0.31 -1.32 0.00 0.00 176.35 175.01 1a21 s TYR 154 N 0.26 3.13 0.04 5.38 2.02 -0.24 -2.13 117.35 125.81 1a21 s TYR 154 Ca -0.06 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1a21 s TYR 154 Cb -0.15 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1a21 s TYR 154 CO 0.04 -0.29 -0.09 1.52 -1.57 0.00 0.00 175.55 175.16 1a21 s TYR 155 N 1.62 0.78 0.22 2.71 1.13 -0.51 -2.13 117.35 121.17 1a21 s TYR 155 Ca 0.06 -0.45 -0.20 0.00 -1.41 0.00 0.00 57.07 55.08 1a21 s TYR 155 Cb -0.15 -0.46 0.03 0.00 -1.10 0.00 0.00 41.96 40.28 1a21 s TYR 155 CO 0.06 -0.05 0.61 1.67 -2.51 0.00 0.00 175.55 175.33 1a21 s TRP 156 N -1.21 -0.22 -0.47 -3.49 -2.14 -0.78 -1.66 118.94 108.97 1a21 s TRP 156 Ca -0.07 -0.13 0.24 0.00 2.66 0.00 0.00 56.10 58.80 1a21 s TRP 156 Cb -0.09 0.54 0.33 0.00 -3.10 0.00 0.00 33.47 31.14 1a21 s TRP 156 CO 0.01 -1.02 1.43 0.00 -2.66 0.00 0.00 176.95 174.71 1a21 h ARG 157 N 2.08 0.00 -4.59 3.25 3.08 -1.85 -0.67 114.38 115.69 1a21 h ARG 157 Ca -0.26 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.26 1a21 h ARG 157 Cb 1.27 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.98 1a21 h ARG 157 CO 0.32 0.00 -0.82 0.15 -1.07 0.00 0.00 179.97 178.55 1a21 s LYS 163 N -3.23 1.79 0.35 0.04 1.02 -1.26 -4.53 119.74 113.92 1a21 s LYS 163 Ca 0.05 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 55.69 1a21 s LYS 163 Cb 0.09 -1.47 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 1a21 s LYS 163 CO 0.70 0.03 -0.06 -1.59 -0.92 0.00 0.00 175.35 173.51 1a21 s LYS 164 N 0.67 1.88 0.14 1.68 0.00 -0.66 -4.98 119.74 118.46 1a21 s LYS 164 Ca -0.14 -1.94 0.03 0.00 0.00 0.00 0.00 55.97 53.92 1a21 s LYS 164 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 37.83 35.90 1a21 s LYS 164 CO 0.04 0.11 -0.07 0.95 0.00 0.00 0.00 175.35 176.38 1a21 s THR 165 N -2.61 0.92 0.12 3.79 -4.23 -1.26 -1.42 115.64 110.94 1a21 s THR 165 Ca 0.33 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1a21 s THR 165 Cb 0.03 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1a21 s THR 165 CO 0.17 -0.74 0.02 0.00 -0.54 0.00 0.00 174.62 173.53 1a21 s ALA 166 N -3.49 0.86 0.06 3.99 0.00 -0.90 -4.98 121.76 117.31 1a21 s ALA 166 Ca 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1a21 s ALA 166 Cb 0.04 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1a21 s ALA 166 CO -0.01 -0.42 -0.05 -0.08 0.00 0.00 0.00 175.76 175.21 1a21 s THR 167 N -3.93 0.40 0.06 0.00 -1.32 -1.26 -1.09 115.64 108.49 1a21 s THR 167 Ca 0.19 -1.62 -0.15 0.00 -1.21 0.00 0.00 61.69 58.90 1a21 s THR 167 Cb 0.07 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1a21 s THR 167 CO -0.01 -0.80 0.33 0.28 -2.21 0.00 0.00 174.62 172.21 1a21 s THR 168 N -3.13 0.08 -1.15 5.08 -1.32 -0.31 -5.00 115.64 109.89 1a21 s THR 168 Ca 0.03 -0.64 0.21 0.00 -1.21 0.00 0.00 61.69 60.08 1a21 s THR 168 Cb 0.02 -0.99 -0.20 0.00 -1.51 0.00 0.00 72.50 69.82 1a21 s THR 168 CO -0.06 -0.36 0.92 -3.20 -2.21 0.00 0.00 174.62 169.72 1a21 n ASN 169 N 0.43 1.15 0.00 8.08 4.05 -1.26 -1.82 115.26 125.88 1a21 n ASN 169 Ca -0.18 -1.07 0.00 0.00 0.45 0.00 0.00 54.58 53.78 1a21 n ASN 169 Cb 0.60 0.92 0.00 0.00 1.23 0.00 0.00 39.78 42.54 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 -1.28 0.00 -0.00 -0.44 -2.24 -1.26 -4.78 114.28 104.27 1a21 n THR 170 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1a21 n THR 170 Cb 0.35 -0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.93 -4.27 3.42 4.13 -1.26 -4.60 115.26 115.61 1a21 n ASN 171 Ca 0.00 -1.89 -0.26 0.00 1.68 0.00 0.00 54.58 54.11 1a21 n ASN 171 Cb 0.00 -0.22 -0.14 0.00 -1.54 0.00 0.00 39.78 37.88 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 -1.06 1.43 -0.07 3.52 0.41 -1.26 -1.14 118.70 120.55 1a21 s GLU 172 Ca 0.26 -0.99 0.06 0.00 -0.41 0.00 0.00 54.97 53.89 1a21 s GLU 172 Cb 0.15 -1.58 -0.01 0.00 -1.78 0.00 0.00 34.13 30.91 1a21 s GLU 172 CO 0.20 0.40 -0.24 -0.06 -0.49 0.00 0.00 175.26 175.07 1a21 s PHE 173 N -0.83 2.42 -0.29 1.61 0.08 0.37 -4.87 117.98 116.47 1a21 s PHE 173 Ca 0.08 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 1a21 s PHE 173 Cb -0.09 -1.59 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 1a21 s PHE 173 CO 0.02 -0.26 0.11 -1.17 -0.10 0.00 0.00 175.22 173.82 1a21 s LEU 174 N -0.04 1.25 0.24 -0.37 2.96 -1.26 -1.45 118.68 120.02 1a21 s LEU 174 Ca -0.07 -1.39 0.09 0.00 -0.22 0.00 0.00 54.13 52.54 1a21 s LEU 174 Cb -0.15 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 1a21 s LEU 174 CO 0.05 -0.42 -0.15 0.27 -1.32 0.00 0.00 176.35 174.78 1a21 s ILE 175 N 1.89 1.98 -0.05 6.68 -4.36 -0.84 -4.97 121.20 121.52 1a21 s ILE 175 Ca 0.09 -2.26 -0.23 0.00 -0.26 0.00 0.00 60.65 57.99 1a21 s ILE 175 Cb -0.17 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1a21 s ILE 175 CO -0.30 -0.48 0.67 -1.81 0.24 0.00 0.00 174.94 173.26 1a21 s ASP 176 N -3.41 6.97 0.21 4.36 1.01 -1.26 -1.08 116.67 123.48 1a21 s ASP 176 Ca 0.26 1.17 0.00 0.00 0.71 0.00 0.00 52.55 54.69 1a21 s ASP 176 Cb -0.01 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 1a21 s ASP 176 CO 0.10 -0.06 0.09 0.68 0.21 0.00 0.00 175.17 176.19 1a21 s VAL 177 N 0.58 0.33 -0.04 -1.27 -7.23 0.76 -4.94 120.40 108.59 1a21 s VAL 177 Ca 0.36 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 1a21 s VAL 177 Cb -0.18 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1a21 s VAL 177 CO 0.18 -0.12 0.91 -1.81 -0.31 0.00 0.00 175.10 173.95 1a21 s ASP 178 N -3.21 7.24 0.54 4.85 1.01 -1.26 -4.48 116.67 121.36 1a21 s ASP 178 Ca 0.35 1.51 -0.22 0.00 0.71 0.00 0.00 52.55 54.90 1a21 s ASP 178 Cb 0.07 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1a21 s ASP 178 CO 0.10 -0.26 1.35 -0.75 0.21 0.00 0.00 175.17 175.82 1a21 s LYS 179 N 1.17 3.17 0.00 8.23 2.20 -1.25 -2.77 119.74 130.50 1a21 s LYS 179 Ca 0.47 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1a21 s LYS 179 Cb -0.20 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1a21 s LYS 179 CO 0.23 -1.16 0.00 0.41 -0.36 0.00 0.00 175.35 174.48 1a21 n GLY 180 N 0.71 0.76 3.70 5.54 0.00 -1.26 -4.96 105.19 109.68 1a21 n GLY 180 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.37 4.22 0.11 1.61 0.41 -1.11 -5.09 118.70 118.48 1a21 s GLU 181 Ca 0.00 0.08 -0.22 0.00 -0.41 0.00 0.00 54.97 54.43 1a21 s GLU 181 Cb 0.00 -3.47 -0.07 0.00 -1.78 0.00 0.00 34.13 28.81 1a21 s GLU 181 CO 0.00 0.14 0.65 1.21 -0.49 0.00 0.00 175.26 176.78 1a21 s ASN 182 N 0.69 7.19 0.25 -0.19 3.84 -1.26 -4.90 114.94 120.57 1a21 s ASN 182 Ca 0.16 1.42 0.12 0.00 0.21 0.00 0.00 52.86 54.76 1a21 s ASN 182 Cb -0.13 -2.42 -0.05 0.00 -0.55 0.00 0.00 41.25 38.10 1a21 s ASN 182 CO 0.05 0.24 -0.19 -0.31 -2.79 0.00 0.00 177.10 174.10 1a21 s TYR 183 N -1.14 2.34 0.03 0.43 1.51 -1.26 -4.44 117.35 114.82 1a21 s TYR 183 Ca 0.32 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1a21 s TYR 183 Cb -0.21 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1a21 s TYR 183 CO 0.22 0.65 -0.10 0.00 -1.11 0.00 0.00 175.55 175.20 1a21 s PHE 185 N -0.79 -0.08 0.10 0.00 -0.12 -0.06 -1.87 117.98 115.16 1a21 s PHE 185 Ca -0.01 -0.43 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 1a21 s PHE 185 Cb -0.07 0.74 0.03 0.00 -0.63 0.00 0.00 43.02 43.09 1a21 s PHE 185 CO 0.01 -1.29 0.35 -1.54 -0.05 0.00 0.00 175.22 172.69 1a21 s SER 186 N -2.99 -0.15 0.40 1.98 1.04 -0.91 -1.12 113.70 111.95 1a21 s SER 186 Ca 0.13 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.29 1a21 s SER 186 Cb -0.05 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.42 1a21 s SER 186 CO 0.08 -0.78 0.01 0.68 0.98 0.00 0.00 173.24 174.20 1a21 s VAL 187 N -3.55 2.06 -0.16 5.02 -7.23 -1.26 -1.08 120.40 114.20 1a21 s VAL 187 Ca 0.02 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 1a21 s VAL 187 Cb 0.02 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1a21 s VAL 187 CO -0.10 -0.03 0.42 -1.58 -0.31 0.00 0.00 175.10 173.50 1a21 s GLN 188 N -3.71 0.47 0.13 4.82 0.74 -0.09 -1.80 119.66 120.21 1a21 s GLN 188 Ca 0.35 0.66 -0.28 0.00 0.05 0.00 0.00 55.36 56.14 1a21 s GLN 188 Cb 0.08 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 34.28 1a21 s GLN 188 CO 0.18 -0.09 0.89 0.00 -0.55 0.00 0.00 175.29 175.72 1a21 s ALA 189 N 0.62 3.32 -0.02 1.58 0.00 -1.26 -0.80 121.76 125.20 1a21 s ALA 189 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1a21 s ALA 189 Cb -0.05 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1a21 s ALA 189 CO -0.04 0.08 0.02 0.08 0.00 0.00 0.00 175.76 175.89 1a21 s VAL 190 N -0.37 0.01 -0.50 0.00 1.01 0.05 -2.25 120.40 118.34 1a21 s VAL 190 Ca 0.42 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1a21 s VAL 190 Cb -0.23 -0.10 0.13 0.00 0.00 0.00 0.00 36.38 36.18 1a21 s VAL 190 CO 0.28 0.08 0.26 -0.63 0.00 0.00 0.00 175.10 175.09 1a21 s ILE 191 N 0.76 2.85 0.58 2.22 1.01 -0.49 -0.85 121.20 127.28 1a21 s ILE 191 Ca -0.07 -2.97 0.28 0.00 0.00 0.00 0.00 60.65 57.89 1a21 s ILE 191 Cb -0.09 -2.96 0.38 0.00 0.01 0.00 0.00 42.46 39.80 1a21 s ILE 191 CO -0.02 -0.77 1.97 1.55 0.00 0.00 0.00 174.94 177.66 1a21 h PRO 192 N 6.93 0.00 0.00 2.79 0.13 -1.84 -2.54 132.00 137.48 1a21 h PRO 192 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1a21 h PRO 192 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1a21 h PRO 192 CO 0.67 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 178.78 1a21 h SER 193 N 0.00 0.00 -4.26 1.44 4.64 -1.94 -3.45 113.55 109.98 1a21 h SER 193 Ca 0.20 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.00 1a21 h SER 193 Cb 0.99 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1a21 h SER 193 CO -0.00 0.32 0.28 -0.13 -0.87 0.00 0.00 176.83 176.43 1a21 s ARG 194 N -3.74 1.76 -0.05 4.77 0.52 -0.96 -4.96 118.95 116.30 1a21 s ARG 194 Ca -0.00 1.24 0.20 0.00 -0.52 0.00 0.00 55.73 56.65 1a21 s ARG 194 Cb 0.11 -1.83 -0.31 0.00 0.52 0.00 0.00 34.95 33.44 1a21 s ARG 194 CO 0.67 -2.01 0.40 1.63 0.02 0.00 0.00 175.30 176.00 1a21 n LYS 195 N -3.78 0.65 -3.76 3.54 5.02 -1.26 -4.88 118.16 113.68 1a21 n LYS 195 Ca 0.10 -0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.13 1a21 n LYS 195 Cb 0.53 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1a21 n LYS 195 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1a21 s ARG 196 N -3.30 0.95 -1.47 1.97 3.03 -1.26 -4.91 118.95 113.97 1a21 s ARG 196 Ca -0.08 -0.86 -0.06 0.00 2.03 0.00 0.00 55.73 56.76 1a21 s ARG 196 Cb 0.12 0.40 0.01 0.00 -1.03 0.00 0.00 34.95 34.45 1a21 s ARG 196 CO 0.83 -0.34 0.82 1.63 -1.13 0.00 0.00 175.30 177.12 1a21 n LYS 197 N -0.14 -6.02 0.17 3.89 5.02 -1.26 -4.92 118.16 114.91 1a21 n LYS 197 Ca -0.15 0.87 0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1a21 n LYS 197 Cb 0.63 -5.79 0.25 0.00 -0.02 0.00 0.00 35.03 30.10 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 -1.87 0.00 -6.22 1.97 4.20 -1.90 -3.44 115.11 107.84 1a21 h GLN 198 Ca -0.54 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.58 1a21 h GLN 198 Cb 1.36 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.98 1a21 h GLN 198 CO 0.56 0.46 -0.79 1.03 -0.67 0.00 0.00 178.83 179.42 1a21 s ARG 199 N -3.46 1.49 0.51 1.46 0.52 -1.26 -1.39 118.95 116.82 1a21 s ARG 199 Ca 0.01 -1.58 0.09 0.00 -0.52 0.00 0.00 55.73 53.73 1a21 s ARG 199 Cb 0.11 -1.63 0.05 0.00 0.52 0.00 0.00 34.95 34.00 1a21 s ARG 199 CO 0.71 0.33 0.69 -1.54 0.02 0.00 0.00 175.30 175.51 1a21 s SER 200 N -2.99 5.32 0.80 0.23 1.04 -0.95 -4.68 113.70 112.47 1a21 s SER 200 Ca 0.22 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1a21 s SER 200 Cb -0.06 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1a21 s SER 200 CO 0.10 -1.10 1.09 -2.84 0.98 0.00 0.00 173.24 171.47 1a21 s PRO 201 N -4.53 2.02 0.48 4.02 0.02 -1.26 -4.75 135.00 131.00 1a21 s PRO 201 Ca 0.59 0.97 -0.20 0.00 0.02 0.00 0.00 61.00 62.38 1a21 s PRO 201 Cb -0.07 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1a21 s PRO 201 CO 0.36 -1.75 0.99 -1.21 -0.33 0.00 0.00 177.00 175.07 1a21 s GLU 202 N -4.96 3.97 1.02 5.54 2.02 -1.26 -4.38 118.70 120.64 1a21 s GLU 202 Ca 0.61 1.18 -0.17 0.00 0.02 0.00 0.00 54.97 56.61 1a21 s GLU 202 Cb -0.17 -2.13 0.22 0.00 0.10 0.00 0.00 34.13 32.15 1a21 s GLU 202 CO 0.56 -0.26 1.25 -1.54 0.02 0.00 0.00 175.26 175.29 1a21 s SER 203 N -2.31 2.59 0.72 -0.19 1.04 -0.75 -4.86 113.70 109.94 1a21 s SER 203 Ca 0.63 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 57.32 1a21 s SER 203 Cb -0.12 -0.54 0.03 0.00 0.10 0.00 0.00 66.02 65.49 1a21 s SER 203 CO 0.20 -3.07 1.18 -0.76 0.98 0.00 0.00 173.24 171.77 1a21 s LEU 204 N -6.17 3.32 0.19 2.42 1.43 -1.26 -4.71 118.68 113.90 1a21 s LEU 204 Ca 0.72 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.88 1a21 s LEU 204 Cb -0.06 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.50 1a21 s LEU 204 CO 0.54 -2.14 0.72 -0.89 0.23 0.00 0.00 176.35 174.81 1a21 s THR 205 N -2.09 4.53 0.18 5.49 2.01 -1.26 -4.65 115.64 119.85 1a21 s THR 205 Ca 0.72 1.39 0.07 0.00 0.31 0.00 0.00 61.69 64.18 1a21 s THR 205 Cb -0.27 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1a21 s THR 205 CO 0.45 0.33 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.96 1a21 s GLU 206 N -1.67 1.24 0.01 4.92 0.41 -0.28 -4.96 118.70 118.37 1a21 s GLU 206 Ca 0.40 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 1a21 s GLU 206 Cb -0.19 -0.99 -0.01 0.00 -1.78 0.00 0.00 34.13 31.17 1a21 s GLU 206 CO 0.22 0.16 -0.02 0.00 -0.49 0.00 0.00 175.26 175.13