#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2auk n SER 9 N 0.00 0.00 -3.46 -1.84 3.41 -1.26 -4.44 113.62 106.02 2auk n SER 9 Ca 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 2auk n SER 9 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2auk n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2auk s SER 10 N 0.00 -0.48 -0.09 4.04 1.04 -1.26 -1.48 113.70 115.47 2auk s SER 10 Ca 0.00 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.51 2auk s SER 10 Cb 0.00 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 2auk s SER 10 CO 0.00 -0.78 -0.23 -0.63 0.98 0.00 0.00 173.24 172.57 2auk s ILE 11 N -3.29 1.97 -0.17 -1.02 1.01 -0.84 -4.99 121.20 113.86 2auk s ILE 11 Ca 0.02 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2auk s ILE 11 Cb -0.01 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2auk s ILE 11 CO -0.10 0.54 -0.19 -1.10 0.00 0.00 0.00 174.94 174.09 2auk s GLN 12 N 0.27 2.89 0.50 2.79 1.11 -1.26 -1.29 119.66 124.66 2auk s GLN 12 Ca -0.16 -0.79 -0.22 0.00 0.01 0.00 0.00 55.36 54.21 2auk s GLN 12 Cb -0.17 -2.49 -0.06 0.00 -1.01 0.00 0.00 33.01 29.28 2auk s GLN 12 CO 0.07 -0.20 1.18 0.54 0.01 0.00 0.00 175.29 176.90 2auk s VAL 13 N 1.28 2.97 -0.20 1.09 0.11 -0.77 -4.85 120.40 120.04 2auk s VAL 13 Ca 0.04 0.69 0.15 0.00 -2.93 0.00 0.00 61.98 59.94 2auk s VAL 13 Cb -0.13 -3.33 -0.24 0.00 -1.53 0.00 0.00 36.38 31.15 2auk s VAL 13 CO -0.12 -0.05 0.04 0.29 -3.33 0.00 0.00 175.10 171.94 2auk n LYS 14 N -0.82 0.68 -4.06 1.54 5.02 -1.26 0.36 118.16 119.63 2auk n LYS 14 Ca 0.09 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 2auk n LYS 14 Cb 0.48 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 2auk n LYS 14 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2auk s ASN 15 N -5.66 4.95 0.26 4.39 0.01 -1.26 -4.33 114.94 113.29 2auk s ASN 15 Ca -0.14 -0.60 -0.22 0.00 -0.71 0.00 0.00 52.86 51.20 2auk s ASN 15 Cb 0.06 -0.92 -0.09 0.00 0.41 0.00 0.00 41.25 40.72 2auk s ASN 15 CO 0.80 -0.22 0.79 -1.59 -1.51 0.00 0.00 177.10 175.37 2auk s LYS 16 N -3.86 4.35 0.00 -0.60 -2.85 -1.26 -3.68 119.74 111.84 2auk s LYS 16 Ca 0.37 1.01 0.00 0.00 -1.00 0.00 0.00 55.97 56.34 2auk s LYS 16 Cb -0.05 -2.84 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 2auk s LYS 16 CO 0.24 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.45 2auk n GLY 17 N 0.64 -0.58 3.30 0.59 0.00 -0.41 -4.77 105.19 103.96 2auk n GLY 17 Ca -0.01 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 2auk n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2auk s SER 18 N -4.00 2.79 0.15 1.61 1.04 -0.26 0.43 113.70 115.45 2auk s SER 18 Ca 0.00 -0.57 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 2auk s SER 18 Cb 0.00 -0.23 -0.07 0.00 0.10 0.00 0.00 66.02 65.82 2auk s SER 18 CO 0.00 0.19 1.04 -0.63 0.98 0.00 0.00 173.24 174.82 2auk s ILE 19 N -0.84 4.15 -0.07 -1.02 -1.09 0.19 -0.55 121.20 121.98 2auk s ILE 19 Ca 0.09 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.33 2auk s ILE 19 Cb -0.09 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2auk s ILE 19 CO 0.02 0.30 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.28 2auk s LYS 20 N -0.22 0.63 -0.02 2.79 2.20 0.51 0.03 119.74 125.65 2auk s LYS 20 Ca 0.48 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2auk s LYS 20 Cb -0.27 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.08 2auk s LYS 20 CO 0.32 -0.26 0.06 -0.51 -0.36 0.00 0.00 175.35 174.60 2auk s LEU 21 N 1.78 3.82 0.05 5.43 1.43 -1.26 0.57 118.68 130.50 2auk s LEU 21 Ca 0.02 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2auk s LEU 21 Cb -0.13 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2auk s LEU 21 CO -0.04 0.30 -0.13 -0.44 0.23 0.00 0.00 176.35 176.26 2auk s SER 22 N -1.56 1.54 -1.45 2.29 0.01 -0.16 -4.79 113.70 109.58 2auk s SER 22 Ca 0.21 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 2auk s SER 22 Cb -0.12 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.08 2auk s SER 22 CO 0.11 -0.03 0.66 0.59 0.41 0.00 0.00 173.24 174.98 2auk n ASN 23 N 1.68 -1.87 -4.71 2.44 3.02 -1.26 -1.55 115.26 113.02 2auk n ASN 23 Ca -0.19 -0.91 -0.33 0.00 -0.03 0.00 0.00 54.58 53.11 2auk n ASN 23 Cb 0.55 -3.44 -0.08 0.00 -0.61 0.00 0.00 39.78 36.19 2auk n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2auk s VAL 24 N -3.65 4.31 -0.04 2.41 0.11 -1.26 -3.67 120.40 118.60 2auk s VAL 24 Ca 0.24 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2auk s VAL 24 Cb -0.13 -2.92 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 2auk s VAL 24 CO 0.86 0.40 -0.05 -0.54 -3.33 0.00 0.00 175.10 172.44 2auk s LYS 25 N -1.50 0.86 0.04 1.54 1.02 -1.26 -4.96 119.74 115.48 2auk s LYS 25 Ca 0.19 -0.14 -0.05 0.00 0.02 0.00 0.00 55.97 56.00 2auk s LYS 25 Cb -0.12 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 2auk s LYS 25 CO 0.10 -0.05 0.08 -1.54 -0.92 0.00 0.00 175.35 173.02 2auk s SER 26 N 0.78 0.21 0.00 2.83 1.04 -1.26 0.07 113.70 117.37 2auk s SER 26 Ca -0.11 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 2auk s SER 26 Cb -0.14 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2auk s SER 26 CO 0.00 -0.50 0.05 0.54 0.98 0.00 0.00 173.24 174.31 2auk s VAL 27 N -2.64 0.07 -0.16 5.02 0.11 -0.11 -4.93 120.40 117.75 2auk s VAL 27 Ca -0.05 -0.59 -0.14 0.00 -2.93 0.00 0.00 61.98 58.27 2auk s VAL 27 Cb -0.01 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2auk s VAL 27 CO -0.05 -0.33 0.28 -0.69 -3.33 0.00 0.00 175.10 170.99 2auk s VAL 28 N -1.03 5.31 0.00 2.04 1.01 -1.26 -0.34 120.40 126.13 2auk s VAL 28 Ca -0.11 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2auk s VAL 28 Cb -0.07 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2auk s VAL 28 CO 0.00 0.39 0.00 -0.46 0.00 0.00 0.00 175.10 175.03 2auk n ASN 29 N 3.59 0.00 -0.26 3.32 0.23 -0.53 -4.69 115.26 116.92 2auk n ASN 29 Ca -0.12 -0.36 0.15 0.00 -0.53 0.00 0.00 54.58 53.71 2auk n ASN 29 Cb 0.52 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.90 2auk n ASN 29 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2auk n SER 30 N -1.09 0.85 -1.12 0.53 3.41 -1.26 -3.69 113.62 111.24 2auk n SER 30 Ca 0.00 -1.20 0.10 0.00 -0.26 0.00 0.00 58.87 57.50 2auk n SER 30 Cb 0.00 -0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.21 2auk n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2auk n SER 31 N -0.39 3.61 0.00 4.04 7.64 -1.26 -4.94 113.62 122.33 2auk n SER 31 Ca 0.20 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2auk n SER 31 Cb 0.26 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2auk n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2auk n GLY 32 N 1.28 0.45 3.70 0.23 0.00 -1.24 -5.04 105.19 104.58 2auk n GLY 32 Ca 0.20 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2auk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2auk s LYS 33 N -1.11 2.81 -0.44 1.61 1.02 -1.26 -4.95 119.74 117.42 2auk s LYS 33 Ca 0.00 -0.62 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 2auk s LYS 33 Cb 0.00 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2auk s LYS 33 CO 0.00 0.62 0.48 -1.17 -0.92 0.00 0.00 175.35 174.36 2auk s LEU 34 N -1.71 4.90 -0.19 3.17 2.96 -1.26 -1.45 118.68 125.10 2auk s LEU 34 Ca 0.21 -0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 2auk s LEU 34 Cb -0.12 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2auk s LEU 34 CO 0.12 -0.65 0.12 -0.69 -1.32 0.00 0.00 176.35 173.93 2auk s VAL 35 N 2.24 5.34 0.03 1.68 1.01 0.53 -0.67 120.40 130.56 2auk s VAL 35 Ca 0.13 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2auk s VAL 35 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2auk s VAL 35 CO 0.13 0.46 0.91 -0.63 0.00 0.00 0.00 175.10 175.97 2auk s ILE 36 N 0.24 4.75 -0.28 2.22 1.01 -0.40 -0.93 121.20 127.81 2auk s ILE 36 Ca 0.08 1.94 0.03 0.00 0.00 0.00 0.00 60.65 62.69 2auk s ILE 36 Cb -0.11 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.13 2auk s ILE 36 CO -0.01 0.25 0.74 0.35 0.00 0.00 0.00 174.94 176.26 2auk n THR 37 N 3.38 0.33 -2.66 2.92 -2.24 0.11 0.21 114.28 116.34 2auk n THR 37 Ca 0.03 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.93 2auk n THR 37 Cb 0.50 0.87 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 2auk n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2auk s SER 38 N -0.47 5.29 0.00 3.42 1.04 -1.21 -4.90 113.70 116.87 2auk s SER 38 Ca 0.04 -0.02 0.12 0.00 0.48 0.00 0.00 55.95 56.57 2auk s SER 38 Cb 0.02 -0.87 -0.07 0.00 0.10 0.00 0.00 66.02 65.20 2auk s SER 38 CO 0.03 -1.13 0.62 0.54 0.98 0.00 0.00 173.24 174.29 2auk n ARG 39 N -2.32 2.46 -2.15 4.02 5.12 -1.26 -3.97 116.66 118.55 2auk n ARG 39 Ca 0.08 -0.34 -0.04 0.00 -1.93 0.00 0.00 57.85 55.62 2auk n ARG 39 Cb 0.60 -1.12 0.05 0.00 -1.16 0.00 0.00 32.46 30.83 2auk n ARG 39 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2auk n ASN 40 N -0.76 2.17 -4.77 0.55 6.94 -1.26 -4.71 115.26 113.41 2auk n ASN 40 Ca 0.04 -2.57 -0.41 0.00 -0.02 0.00 0.00 54.58 51.62 2auk n ASN 40 Cb 0.23 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 37.23 2auk n ASN 40 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2auk s THR 41 N -3.08 2.15 -0.12 5.53 2.01 -1.24 -4.77 115.64 116.12 2auk s THR 41 Ca 0.35 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.52 2auk s THR 41 Cb 0.36 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.79 2auk s THR 41 CO -0.05 0.03 -0.22 -0.70 -0.69 0.00 0.00 174.62 172.99 2auk s GLU 42 N -1.87 2.95 -0.25 4.92 2.12 -0.59 -2.07 118.70 123.91 2auk s GLU 42 Ca 0.53 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 2auk s GLU 42 Cb -0.46 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 2auk s GLU 42 CO 0.60 0.04 0.05 -1.17 -0.54 0.00 0.00 175.26 174.24 2auk s LEU 43 N 0.68 3.41 0.09 2.70 2.96 0.35 -0.99 118.68 127.88 2auk s LEU 43 Ca -0.11 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 2auk s LEU 43 Cb -0.16 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2auk s LEU 43 CO 0.02 -0.07 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.31 2auk s LYS 44 N 1.55 2.09 -0.23 1.98 1.02 0.19 -0.58 119.74 125.77 2auk s LYS 44 Ca 0.05 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 54.94 2auk s LYS 44 Cb -0.15 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 2auk s LYS 44 CO 0.02 0.51 0.09 -1.17 -0.92 0.00 0.00 175.35 173.88 2auk s LEU 45 N -2.05 3.68 -0.16 3.17 2.96 -0.68 -0.37 118.68 125.24 2auk s LEU 45 Ca 0.20 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2auk s LEU 45 Cb -0.11 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2auk s LEU 45 CO 0.12 0.04 0.00 -0.63 -1.32 0.00 0.00 176.35 174.56 2auk s ILE 46 N 1.17 4.27 0.64 6.68 -1.09 0.29 -0.90 121.20 132.25 2auk s ILE 46 Ca 0.05 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 2auk s ILE 46 Cb -0.14 -2.88 0.14 0.00 -1.58 0.00 0.00 42.46 38.00 2auk s ILE 46 CO 0.04 0.50 0.87 -0.90 -1.23 0.00 0.00 174.94 174.21 2auk n ASP 47 N 3.35 0.53 -0.07 3.58 5.68 -0.59 -1.10 116.55 127.93 2auk n ASP 47 Ca -0.17 -1.59 0.24 0.00 -0.50 0.00 0.00 54.79 52.76 2auk n ASP 47 Cb 0.52 -0.62 0.71 0.00 -1.14 0.00 0.00 41.12 40.60 2auk n ASP 47 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2auk h GLU 48 N 0.00 0.00 -0.01 0.11 4.11 -1.90 -1.03 114.58 115.86 2auk h GLU 48 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2auk h GLU 48 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2auk h GLU 48 CO 0.24 0.00 -0.38 1.19 0.07 0.00 0.00 179.01 180.13 2auk n PHE 49 N -4.23 0.00 -0.32 2.06 3.72 -1.26 -4.94 117.46 112.49 2auk n PHE 49 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2auk n PHE 49 Cb 0.78 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 2auk n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2auk n GLY 50 N 1.38 0.80 3.81 1.37 0.00 -0.39 -5.06 105.19 107.11 2auk n GLY 50 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2auk n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2auk s ARG 51 N -0.68 4.29 -0.37 1.61 0.52 -1.26 -4.80 118.95 118.27 2auk s ARG 51 Ca 0.00 0.96 -0.27 0.00 -0.52 0.00 0.00 55.73 55.90 2auk s ARG 51 Cb 0.00 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.71 2auk s ARG 51 CO 0.00 0.32 0.98 0.99 0.02 0.00 0.00 175.30 177.61 2auk s THR 52 N -1.63 4.53 -0.14 0.02 2.01 -1.26 -1.54 115.64 117.62 2auk s THR 52 Ca 0.47 1.32 0.19 0.00 0.31 0.00 0.00 61.69 63.98 2auk s THR 52 Cb -0.16 -4.38 -0.26 0.00 0.01 0.00 0.00 72.50 67.71 2auk s THR 52 CO 0.21 -0.58 0.29 0.29 -0.69 0.00 0.00 174.62 174.14 2auk n LYS 53 N 6.91 0.67 -3.95 4.92 5.02 -0.08 -4.99 118.16 126.65 2auk n LYS 53 Ca 0.09 -0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 2auk n LYS 53 Cb 0.48 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 2auk n LYS 53 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2auk s GLU 54 N -2.82 0.45 -0.12 1.97 2.02 -1.22 -4.97 118.70 114.00 2auk s GLU 54 Ca -0.08 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 2auk s GLU 54 Cb 0.09 0.17 0.06 0.00 0.10 0.00 0.00 34.13 34.54 2auk s GLU 54 CO 0.85 -0.09 0.27 0.45 0.02 0.00 0.00 175.26 176.75 2auk s SER 55 N -1.75 0.01 0.06 -0.19 0.15 -1.26 -1.69 113.70 109.03 2auk s SER 55 Ca -0.11 0.59 0.06 0.00 0.70 0.00 0.00 55.95 57.20 2auk s SER 55 Cb -0.06 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2auk s SER 55 CO -0.02 -0.20 -0.16 -0.31 1.20 0.00 0.00 173.24 173.74 2auk s TYR 56 N 1.85 1.42 -0.13 3.44 2.02 0.25 -4.97 117.35 121.23 2auk s TYR 56 Ca -0.04 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 2auk s TYR 56 Cb -0.11 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2auk s TYR 56 CO -0.09 0.08 0.49 0.15 -1.57 0.00 0.00 175.55 174.61 2auk s LYS 57 N -1.42 4.32 -0.26 -0.62 1.02 -1.26 -0.50 119.74 121.03 2auk s LYS 57 Ca 0.02 0.45 -0.04 0.00 0.02 0.00 0.00 55.97 56.43 2auk s LYS 57 Cb -0.09 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2auk s LYS 57 CO 0.02 0.11 -0.01 0.08 -0.92 0.00 0.00 175.35 174.63 2auk s VAL 58 N 0.78 3.35 0.75 3.17 1.01 -0.88 -4.95 120.40 123.63 2auk s VAL 58 Ca 0.26 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 2auk s VAL 58 Cb -0.15 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2auk s VAL 58 CO 0.10 0.21 1.22 -2.84 0.00 0.00 0.00 175.10 173.79 2auk s PRO 59 N 1.42 1.98 0.29 2.72 0.02 -1.26 -4.00 135.00 136.17 2auk s PRO 59 Ca 0.02 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 2auk s PRO 59 Cb -0.16 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 2auk s PRO 59 CO -0.02 -1.96 1.62 -0.47 -0.33 0.00 0.00 177.00 175.84 2auk s TYR 60 N -1.97 2.74 0.00 6.54 5.04 -1.25 -1.96 117.35 126.48 2auk s TYR 60 Ca 0.75 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2auk s TYR 60 Cb -0.30 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 37.91 2auk s TYR 60 CO 0.47 -3.74 0.00 0.41 -1.34 0.00 0.00 175.55 171.35 2auk n GLY 61 N 2.32 1.03 3.76 8.97 0.00 0.13 -4.84 105.19 116.56 2auk n GLY 61 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2auk n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2auk s ALA 62 N -3.03 2.39 -0.17 4.61 0.00 -0.83 -4.65 121.76 120.08 2auk s ALA 62 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 2auk s ALA 62 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2auk s ALA 62 CO 0.00 -1.41 0.06 0.08 0.00 0.00 0.00 175.76 174.49 2auk s VAL 63 N -2.30 4.74 -0.22 0.00 1.01 0.11 -1.27 120.40 122.47 2auk s VAL 63 Ca 0.68 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 2auk s VAL 63 Cb -0.22 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2auk s VAL 63 CO 0.43 0.48 0.24 -0.76 0.00 0.00 0.00 175.10 175.49 2auk s LEU 64 N 0.20 4.14 0.28 3.92 1.43 0.15 -1.28 118.68 127.53 2auk s LEU 64 Ca 0.04 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2auk s LEU 64 Cb -0.12 -2.25 0.42 0.00 0.03 0.00 0.00 46.19 44.26 2auk s LEU 64 CO 0.01 0.02 1.71 0.00 0.23 0.00 0.00 176.35 178.32 2auk h ALA 65 N 7.39 1.09 -2.39 4.21 0.00 -1.55 -3.38 119.26 124.64 2auk h ALA 65 Ca -0.38 -0.37 -0.24 0.00 0.00 0.00 0.00 54.91 53.92 2auk h ALA 65 Cb 1.17 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 2auk h ALA 65 CO 0.69 0.57 -0.71 0.15 0.00 0.00 0.00 179.25 179.95 2auk s LYS 66 N -4.38 0.81 1.00 0.00 1.02 -1.26 -5.03 119.74 111.90 2auk s LYS 66 Ca -0.06 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.50 2auk s LYS 66 Cb 0.14 -0.27 0.23 0.00 -0.52 0.00 0.00 37.83 37.41 2auk s LYS 66 CO 0.79 0.00 1.36 0.20 -0.92 0.00 0.00 175.35 176.78 2auk s GLY 67 N -2.82 1.83 0.34 -3.33 0.00 -1.26 -4.98 107.32 97.10 2auk s GLY 67 Ca 0.09 -1.33 -0.28 0.00 0.00 0.00 0.00 44.72 43.20 2auk s GLY 67 CO -0.03 -0.50 1.30 -0.35 0.00 0.00 0.00 173.10 173.53 2auk s ASP 68 N -4.96 6.71 0.00 1.64 3.68 -1.26 -2.83 116.67 119.64 2auk s ASP 68 Ca 0.77 2.68 0.00 0.00 2.13 0.00 0.00 52.55 58.13 2auk s ASP 68 Cb -0.02 -2.65 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 2auk s ASP 68 CO 0.54 -0.58 0.00 0.61 0.13 0.00 0.00 175.17 175.87 2auk n GLY 69 N 0.77 1.81 3.77 2.66 0.00 0.10 -5.01 105.19 109.29 2auk n GLY 69 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2auk n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auk s GLU 70 N -0.28 3.88 0.20 1.61 0.41 -1.13 -4.53 118.70 118.86 2auk s GLU 70 Ca 0.00 1.89 -0.21 0.00 -0.41 0.00 0.00 54.97 56.24 2auk s GLU 70 Cb 0.00 -2.57 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 2auk s GLU 70 CO 0.00 -0.48 0.74 -1.14 -0.49 0.00 0.00 175.26 173.89 2auk s GLN 71 N -2.46 4.35 0.07 1.61 0.74 -1.26 0.57 119.66 123.27 2auk s GLN 71 Ca 0.60 0.96 -0.01 0.00 0.05 0.00 0.00 55.36 56.96 2auk s GLN 71 Cb -0.32 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 2auk s GLN 71 CO 0.39 0.45 -0.02 0.14 -0.55 0.00 0.00 175.29 175.71 2auk s VAL 72 N -1.40 0.23 0.21 1.34 -7.23 0.17 -4.91 120.40 108.80 2auk s VAL 72 Ca 0.41 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2auk s VAL 72 Cb -0.19 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2auk s VAL 72 CO 0.22 -0.89 -0.00 0.00 -0.31 0.00 0.00 175.10 174.12 2auk s ALA 73 N -3.92 3.18 0.30 1.32 0.00 -1.26 -1.29 121.76 120.08 2auk s ALA 73 Ca 0.10 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 2auk s ALA 73 Cb 0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 23.12 22.16 2auk s ALA 73 CO -0.08 0.40 1.20 0.41 0.00 0.00 0.00 175.76 177.69 2auk n GLY 74 N -0.41 0.28 2.98 0.00 0.00 -1.24 -1.58 105.19 105.22 2auk n GLY 74 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2auk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2auk n GLY 75 N 1.19 0.75 3.73 -0.02 0.00 0.16 -4.98 105.19 106.01 2auk n GLY 75 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2auk n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2auk s GLU 76 N -0.20 4.62 -0.21 1.61 2.12 -0.62 -4.75 118.70 121.27 2auk s GLU 76 Ca 0.00 1.56 -0.29 0.00 0.36 0.00 0.00 54.97 56.60 2auk s GLU 76 Cb 0.00 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2auk s GLU 76 CO 0.00 0.08 1.01 0.99 -0.54 0.00 0.00 175.26 176.80 2auk s THR 77 N 0.21 4.71 -0.73 -1.70 2.01 -1.26 -1.85 115.64 117.03 2auk s THR 77 Ca 0.50 1.98 0.09 0.00 0.31 0.00 0.00 61.69 64.57 2auk s THR 77 Cb -0.25 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 2auk s THR 77 CO 0.31 -0.14 0.54 1.33 -0.69 0.00 0.00 174.62 175.97 2auk n VAL 78 N 5.18 0.00 -3.58 3.82 0.24 -0.41 -4.79 118.33 118.79 2auk n VAL 78 Ca 0.11 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.34 61.87 2auk n VAL 78 Cb 0.47 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 2auk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2auk s ALA 79 N -1.44 -1.53 0.03 2.33 0.00 -1.24 -1.42 121.76 118.48 2auk s ALA 79 Ca 0.06 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 2auk s ALA 79 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2auk s ALA 79 CO 0.27 -0.35 0.04 -0.80 0.00 0.00 0.00 175.76 174.93 2auk s ASN 80 N -1.23 0.21 -0.02 0.00 -0.87 -0.40 -1.98 114.94 110.64 2auk s ASN 80 Ca -0.12 -0.51 -0.30 0.00 -1.57 0.00 0.00 52.86 50.36 2auk s ASN 80 Cb -0.01 0.17 0.11 0.00 -0.02 0.00 0.00 41.25 41.50 2auk s ASN 80 CO 0.09 -0.42 1.03 -1.66 -2.57 0.00 0.00 177.10 173.57 2auk s TRP 81 N -2.11 -0.21 -0.43 2.20 -2.14 -0.55 0.05 118.94 115.75 2auk s TRP 81 Ca -0.10 0.07 -0.19 0.00 2.66 0.00 0.00 56.10 58.55 2auk s TRP 81 Cb -0.05 0.55 0.02 0.00 -3.10 0.00 0.00 33.47 30.90 2auk s TRP 81 CO -0.03 -0.48 0.52 0.34 -2.66 0.00 0.00 176.95 174.64 2auk s ASP 82 N -2.56 6.25 0.01 -2.66 2.15 -1.26 -4.63 116.67 113.97 2auk s ASP 82 Ca 0.09 -0.54 0.22 0.00 0.43 0.00 0.00 52.55 52.75 2auk s ASP 82 Cb -0.00 -2.26 0.95 0.00 -0.30 0.00 0.00 42.92 41.30 2auk s ASP 82 CO -0.05 -0.66 1.71 -0.81 -0.17 0.00 0.00 175.17 175.20 2auk n PRO 83 N 5.86 0.01 0.00 4.34 -0.04 -1.26 -3.58 135.00 140.33 2auk n PRO 83 Ca -0.05 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2auk n PRO 83 Cb 0.48 -1.52 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 2auk n PRO 83 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2auk n HIS 84 N -1.54 0.00 -4.09 0.54 8.25 -1.26 -4.98 115.22 112.14 2auk n HIS 84 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 2auk n HIS 84 Cb 0.26 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 2auk n HIS 84 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2auk s THR 85 N -2.67 0.00 -0.10 1.59 -4.23 -1.24 -3.74 115.64 105.26 2auk s THR 85 Ca 0.17 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2auk s THR 85 Cb 0.18 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 2auk s THR 85 CO 0.63 0.00 -0.10 -0.32 -0.54 0.00 0.00 174.62 174.29 2auk s MET 86 N -3.98 3.07 -0.07 3.99 1.75 -0.36 -4.86 119.30 118.84 2auk s MET 86 Ca 0.30 -0.62 -0.06 0.00 -1.25 0.00 0.00 55.69 54.06 2auk s MET 86 Cb 0.02 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 35.04 2auk s MET 86 CO 0.12 0.44 0.18 -1.25 -0.65 0.00 0.00 175.02 173.86 2auk s PRO 87 N -0.21 3.49 -0.48 4.11 0.04 -1.26 0.13 135.00 140.81 2auk s PRO 87 Ca 0.02 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.71 2auk s PRO 87 Cb -0.13 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.30 2auk s PRO 87 CO 0.03 0.73 0.69 0.08 0.04 0.00 0.00 177.00 178.57 2auk s VAL 88 N -1.15 4.76 -0.16 -0.36 1.01 0.90 -4.97 120.40 120.43 2auk s VAL 88 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2auk s VAL 88 Cb -0.13 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2auk s VAL 88 CO 0.10 -0.76 0.10 -0.63 0.00 0.00 0.00 175.10 173.91 2auk s ILE 89 N 2.96 5.12 0.20 2.22 1.01 -1.26 -0.42 121.20 131.02 2auk s ILE 89 Ca 0.21 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 2auk s ILE 89 Cb -0.16 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 2auk s ILE 89 CO 0.17 0.51 0.96 0.28 0.00 0.00 0.00 174.94 176.86 2auk s THR 90 N -0.14 4.16 -0.52 2.92 -1.32 -0.93 -4.92 115.64 114.88 2auk s THR 90 Ca 0.09 2.03 0.24 0.00 -1.21 0.00 0.00 61.69 62.83 2auk s THR 90 Cb -0.12 -4.29 0.05 0.00 -1.51 0.00 0.00 72.50 66.64 2auk s THR 90 CO 0.01 0.42 1.26 -0.33 -2.21 0.00 0.00 174.62 173.77 2auk h GLU 91 N 4.61 0.00 -5.58 7.08 5.08 -1.92 0.14 114.58 123.99 2auk h GLU 91 Ca -0.44 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.44 2auk h GLU 91 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 2auk h GLU 91 CO 0.69 0.00 -0.71 0.14 -1.00 0.00 0.00 179.01 178.13 2auk s VAL 92 N -3.22 1.74 0.34 3.13 -7.23 -1.26 -4.69 120.40 109.20 2auk s VAL 92 Ca 0.04 -2.19 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 2auk s VAL 92 Cb 0.12 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2auk s VAL 92 CO 0.74 -0.46 0.55 -0.44 -0.31 0.00 0.00 175.10 175.18 2auk s SER 93 N -3.38 6.32 0.00 4.85 0.01 -1.26 -3.37 113.70 116.86 2auk s SER 93 Ca 0.26 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2auk s SER 93 Cb 0.01 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2auk s SER 93 CO 0.09 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2auk n GLY 94 N -1.65 0.01 3.10 3.44 0.00 -0.23 -4.88 105.19 104.98 2auk n GLY 94 Ca -0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 2auk n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2auk s PHE 95 N -3.02 0.95 -0.02 1.61 0.40 0.11 0.18 117.98 118.19 2auk s PHE 95 Ca 0.00 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 2auk s PHE 95 Cb 0.00 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 2auk s PHE 95 CO 0.00 -0.00 0.79 0.08 0.70 0.00 0.00 175.22 176.79 2auk s VAL 96 N -0.98 4.92 -0.20 -0.44 1.01 -0.32 -1.30 120.40 123.09 2auk s VAL 96 Ca -0.02 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2auk s VAL 96 Cb -0.08 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2auk s VAL 96 CO 0.01 0.25 -0.08 -0.60 0.00 0.00 0.00 175.10 174.68 2auk s ARG 97 N 0.65 1.81 0.27 2.72 3.52 0.11 0.99 118.95 129.02 2auk s ARG 97 Ca 0.42 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.90 2auk s ARG 97 Cb -0.19 -2.38 -0.11 0.00 -1.56 0.00 0.00 34.95 30.71 2auk s ARG 97 CO 0.22 -0.47 1.54 -0.06 -0.81 0.00 0.00 175.30 175.72 2auk s PHE 98 N 1.44 2.86 -0.05 5.12 0.40 -1.26 -1.53 117.98 124.96 2auk s PHE 98 Ca -0.02 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2auk s PHE 98 Cb -0.17 -3.97 0.02 0.00 0.51 0.00 0.00 43.02 39.41 2auk s PHE 98 CO -0.08 -3.26 -0.03 0.99 0.70 0.00 0.00 175.22 173.55 2auk s THR 99 N 0.05 0.46 -1.33 0.64 2.01 -0.22 -4.82 115.64 112.44 2auk s THR 99 Ca 0.62 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2auk s THR 99 Cb -0.45 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2auk s THR 99 CO 0.45 0.23 0.23 0.47 -0.69 0.00 0.00 174.62 175.31 2auk n ASP 100 N 4.36 -4.64 -4.17 3.53 8.00 -1.26 -0.84 116.55 121.52 2auk n ASP 100 Ca -0.20 -0.06 -0.39 0.00 0.71 0.00 0.00 54.79 54.84 2auk n ASP 100 Cb 0.51 -3.86 -0.08 0.00 -0.02 0.00 0.00 41.12 37.67 2auk n ASP 100 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2auk s MET 101 N -5.38 2.78 -0.19 -1.24 -1.94 -1.26 -3.85 119.30 108.22 2auk s MET 101 Ca 0.15 -2.39 -0.02 0.00 -1.71 0.00 0.00 55.69 51.72 2auk s MET 101 Cb -0.07 -3.92 -0.01 0.00 2.01 0.00 0.00 34.83 32.84 2auk s MET 101 CO 0.18 -1.20 -0.09 0.42 -0.01 0.00 0.00 175.02 174.32 2auk s ILE 102 N 0.22 3.08 0.17 2.53 1.09 -1.26 -4.94 121.20 122.08 2auk s ILE 102 Ca 0.15 -0.61 -0.34 0.00 -1.10 0.00 0.00 60.65 58.76 2auk s ILE 102 Cb -0.19 -2.36 -0.15 0.00 -1.06 0.00 0.00 42.46 38.71 2auk s ILE 102 CO -0.04 0.47 1.33 -0.67 -0.10 0.00 0.00 174.94 175.93 2auk n ASP 103 N 4.36 2.05 0.00 3.58 -0.08 -1.26 -1.18 116.55 124.02 2auk n ASP 103 Ca -0.19 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 2auk n ASP 103 Cb 0.51 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.68 2auk n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2auk n GLY 104 N 2.40 2.61 0.13 0.27 0.00 0.10 -4.75 105.19 105.96 2auk n GLY 104 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2auk n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2auk n GLN 105 N -0.19 0.64 0.00 1.61 6.02 -0.32 -4.27 117.38 120.87 2auk n GLN 105 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2auk n GLN 105 Cb 0.00 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.69 2auk n GLN 105 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2auk n THR 106 N -3.75 0.00 -4.16 5.09 -2.24 -0.58 -1.71 114.28 106.93 2auk n THR 106 Ca -0.44 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 2auk n THR 106 Cb 0.93 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.74 2auk n THR 106 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2auk s ILE 107 N -0.71 0.00 -0.00 2.28 -4.36 -1.13 -0.20 121.20 117.08 2auk s ILE 107 Ca 0.00 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2auk s ILE 107 Cb 0.00 -2.43 -0.00 0.00 1.25 0.00 0.00 42.46 41.28 2auk s ILE 107 CO 0.00 -0.02 -0.02 0.42 0.24 0.00 0.00 174.94 175.56 2auk s THR 108 N -4.13 0.19 0.18 8.37 -4.23 -0.13 0.02 115.64 115.93 2auk s THR 108 Ca 0.36 -0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.62 2auk s THR 108 Cb 0.06 -0.17 -0.07 0.00 1.34 0.00 0.00 72.50 73.65 2auk s THR 108 CO 0.11 0.06 0.59 -0.13 -0.54 0.00 0.00 174.62 174.70 2auk s ARG 109 N -0.04 3.99 0.08 3.99 1.81 -1.26 -1.72 118.95 125.79 2auk s ARG 109 Ca 0.01 0.52 0.01 0.00 -1.72 0.00 0.00 55.73 54.55 2auk s ARG 109 Cb -0.01 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.61 2auk s ARG 109 CO -0.00 0.41 -0.06 -0.65 -0.68 0.00 0.00 175.30 174.32 2auk s GLN 110 N -2.18 0.72 -0.04 3.54 -0.21 -0.23 -4.98 119.66 116.28 2auk s GLN 110 Ca 0.41 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 2auk s GLN 110 Cb -0.14 -0.14 0.03 0.00 1.00 0.00 0.00 33.01 33.75 2auk s GLN 110 CO 0.20 -0.02 0.03 0.99 -2.12 0.00 0.00 175.29 174.36 2auk s THR 111 N -3.19 0.07 0.13 -0.19 2.01 -1.26 -1.26 115.64 111.95 2auk s THR 111 Ca 0.06 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 2auk s THR 111 Cb 0.02 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.22 2auk s THR 111 CO -0.05 0.17 0.76 -0.62 -0.69 0.00 0.00 174.62 174.19 2auk s ASP 112 N 1.57 7.32 -0.01 3.53 -1.08 -0.74 -4.96 116.67 122.30 2auk s ASP 112 Ca -0.02 1.57 -0.26 0.00 -0.52 0.00 0.00 52.55 53.32 2auk s ASP 112 Cb -0.13 -2.48 -0.20 0.00 -1.46 0.00 0.00 42.92 38.66 2auk s ASP 112 CO -0.03 0.16 1.30 1.05 0.52 0.00 0.00 175.17 178.17 2auk h GLU 113 N 4.70 -0.02 -0.10 4.34 -0.00 -1.96 0.34 114.58 121.89 2auk h GLU 113 Ca -0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.81 2auk h GLU 113 Cb 1.21 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 2auk h GLU 113 CO 0.67 0.41 -0.32 -0.07 -0.00 0.00 0.00 179.01 179.70 2auk h LEU 114 N -0.46 0.18 0.00 3.06 3.38 -2.00 -3.34 115.31 116.13 2auk h LEU 114 Ca -0.00 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 2auk h LEU 114 Cb 0.44 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2auk h LEU 114 CO 0.00 0.50 -2.12 0.41 0.09 0.00 0.00 178.44 177.33 2auk n THR 115 N -4.11 1.12 -0.70 0.22 -1.04 -1.24 -5.01 114.28 103.52 2auk n THR 115 Ca -0.01 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2auk n THR 115 Cb 0.40 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 2auk n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2auk n GLY 116 N 2.34 0.82 3.80 3.41 0.00 0.12 -5.01 105.19 110.67 2auk n GLY 116 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2auk n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2auk s LEU 117 N 0.00 4.17 -0.09 0.99 1.43 -1.26 -4.70 118.68 119.22 2auk s LEU 117 Ca 0.00 1.78 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2auk s LEU 117 Cb 0.00 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2auk s LEU 117 CO 0.00 -0.20 0.13 -0.44 0.23 0.00 0.00 176.35 176.08 2auk s SER 118 N -1.85 6.25 0.23 2.29 0.01 -1.26 -1.79 113.70 117.58 2auk s SER 118 Ca 0.55 0.40 -0.05 0.00 1.31 0.00 0.00 55.95 58.17 2auk s SER 118 Cb -0.15 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 2auk s SER 118 CO 0.19 0.38 0.28 -0.94 0.41 0.00 0.00 173.24 173.56 2auk s SER 119 N -1.20 0.20 -0.05 2.44 1.04 -0.39 -4.88 113.70 110.86 2auk s SER 119 Ca 0.17 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.39 2auk s SER 119 Cb -0.12 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 2auk s SER 119 CO 0.07 -0.98 -0.19 -0.76 0.98 0.00 0.00 173.24 172.35 2auk s LEU 120 N -3.13 2.43 -0.11 2.42 1.43 0.75 -1.07 118.68 121.41 2auk s LEU 120 Ca 0.33 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2auk s LEU 120 Cb 0.04 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2auk s LEU 120 CO 0.12 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.15 2auk s VAL 121 N -0.49 1.60 0.16 -1.59 1.01 -0.70 -0.25 120.40 120.14 2auk s VAL 121 Ca 0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2auk s VAL 121 Cb -0.12 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2auk s VAL 121 CO 0.01 0.46 1.02 -0.69 0.00 0.00 0.00 175.10 175.90 2auk s VAL 122 N 0.86 4.15 0.34 2.92 1.01 -0.68 -0.95 120.40 128.05 2auk s VAL 122 Ca -0.09 1.86 -0.27 0.00 0.00 0.00 0.00 61.98 63.49 2auk s VAL 122 Cb -0.15 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 2auk s VAL 122 CO 0.00 0.32 1.07 -0.76 0.00 0.00 0.00 175.10 175.73 2auk s LEU 123 N -0.34 4.34 0.35 3.92 1.43 0.72 -0.36 118.68 128.75 2auk s LEU 123 Ca 0.47 2.14 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 2auk s LEU 123 Cb -0.26 -3.91 -0.11 0.00 0.03 0.00 0.00 46.19 41.94 2auk s LEU 123 CO 0.33 -0.31 1.38 -1.81 0.23 0.00 0.00 176.35 176.17 2auk s ASP 124 N -1.24 6.57 0.41 2.29 1.01 -1.26 -4.50 116.67 119.94 2auk s ASP 124 Ca 0.51 2.84 0.25 0.00 0.71 0.00 0.00 52.55 56.86 2auk s ASP 124 Cb -0.27 -2.66 1.33 0.00 1.01 0.00 0.00 42.92 42.33 2auk s ASP 124 CO 0.34 -0.69 1.63 -1.28 0.21 0.00 0.00 175.17 175.38 2auk h SER 125 N 3.19 0.32 0.35 0.27 0.87 -1.96 0.83 113.55 117.42 2auk h SER 125 Ca -0.50 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.18 2auk h SER 125 Cb 1.23 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2auk h SER 125 CO 0.65 -0.20 -0.20 0.00 -0.53 0.00 0.00 176.83 176.55 2auk h ALA 126 N 1.72 1.40 -0.13 6.23 0.00 -2.00 -3.26 119.26 123.22 2auk h ALA 126 Ca 0.79 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.46 2auk h ALA 126 Cb 2.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.00 2auk h ALA 126 CO -0.51 0.25 -0.29 -0.85 0.00 0.00 0.00 179.25 177.86 2auk n GLU 127 N -3.91 1.70 -2.30 0.00 0.28 0.29 -5.02 120.64 111.67 2auk n GLU 127 Ca -0.02 -3.18 -0.32 0.00 -0.16 0.00 0.00 57.16 53.48 2auk n GLU 127 Cb 0.29 -1.69 -0.02 0.00 1.43 0.00 0.00 31.44 31.45 2auk n GLU 127 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2auk s ARG 128 N -3.19 3.81 0.27 3.44 0.52 -1.15 -4.83 118.95 117.82 2auk s ARG 128 Ca 0.40 0.99 0.12 0.00 -0.52 0.00 0.00 55.73 56.72 2auk s ARG 128 Cb 0.37 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 2auk s ARG 128 CO -0.03 -0.39 -0.17 0.95 0.02 0.00 0.00 175.30 175.68 2auk s THR 129 N -2.62 2.62 0.00 0.02 -4.23 -0.69 -4.62 115.64 106.12 2auk s THR 129 Ca 0.60 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2auk s THR 129 Cb -0.11 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2auk s THR 129 CO 0.33 -0.39 0.00 0.00 -0.54 0.00 0.00 174.62 174.03 2auk n ALA 130 N -0.63 0.00 0.29 3.99 0.00 -1.26 -1.42 120.51 121.48 2auk n ALA 130 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2auk n ALA 130 Cb 0.60 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.90 2auk n ALA 130 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2auk h GLY 131 N 0.00 0.00 1.55 0.00 0.00 -1.97 -2.35 103.07 100.30 2auk h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2auk h GLY 131 CO 0.00 0.00 0.20 -1.33 0.00 0.00 0.00 176.54 175.41 2auk h GLY 132 N 0.31 0.00 2.00 4.60 0.00 -1.48 0.18 103.07 108.68 2auk h GLY 132 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2auk h GLY 132 CO 0.01 0.00 -0.00 0.50 0.00 0.00 0.00 176.54 177.05 2auk h LYS 133 N 0.00 0.00 -0.23 4.80 1.57 -1.52 -0.48 116.57 120.70 2auk h LYS 133 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2auk h LYS 133 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2auk h LYS 133 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2auk n ASP 134 N -3.08 2.74 -4.92 0.86 8.00 0.63 -5.01 116.55 115.77 2auk n ASP 134 Ca -0.02 -2.13 -0.25 0.00 0.71 0.00 0.00 54.79 53.10 2auk n ASP 134 Cb 0.11 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2auk n ASP 134 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2auk s LEU 135 N -1.22 4.25 -0.48 0.64 1.43 -0.19 -5.08 118.68 118.02 2auk s LEU 135 Ca 0.19 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2auk s LEU 135 Cb 0.11 -2.81 0.13 0.00 0.03 0.00 0.00 46.19 43.65 2auk s LEU 135 CO 0.10 0.03 0.26 -0.13 0.23 0.00 0.00 176.35 176.84 2auk s ARG 136 N -3.36 1.59 0.20 1.70 0.52 -1.26 -5.00 118.95 113.34 2auk s ARG 136 Ca 0.34 -2.29 -0.32 0.00 -0.52 0.00 0.00 55.73 52.94 2auk s ARG 136 Cb -0.10 -2.74 -0.15 0.00 0.52 0.00 0.00 34.95 32.47 2auk s ARG 136 CO 0.28 -1.15 1.17 -0.35 0.02 0.00 0.00 175.30 175.27 2auk n PRO 137 N 3.31 1.30 -3.53 3.54 -0.04 -1.25 -4.71 135.00 133.62 2auk n PRO 137 Ca 0.08 0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2auk n PRO 137 Cb 0.34 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 2auk n PRO 137 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2auk s ALA 138 N -0.32 -1.39 -0.30 0.55 0.00 -0.02 -1.75 121.76 118.53 2auk s ALA 138 Ca 0.70 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 2auk s ALA 138 Cb -0.80 0.85 0.05 0.00 0.00 0.00 0.00 23.12 23.21 2auk s ALA 138 CO 0.53 -0.78 0.02 -0.51 0.00 0.00 0.00 175.76 175.02 2auk s LEU 139 N -2.79 3.93 -0.07 0.00 1.43 -0.24 -1.05 118.68 119.90 2auk s LEU 139 Ca 0.03 -1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 51.79 2auk s LEU 139 Cb -0.01 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2auk s LEU 139 CO -0.10 -0.26 0.35 -0.75 0.23 0.00 0.00 176.35 175.81 2auk s LYS 140 N 1.29 3.96 -0.26 1.70 2.20 -0.58 0.32 119.74 128.36 2auk s LYS 140 Ca -0.04 0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 55.70 2auk s LYS 140 Cb -0.19 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2auk s LYS 140 CO -0.00 0.55 0.24 0.42 -0.36 0.00 0.00 175.35 176.20 2auk s ILE 141 N -0.55 5.28 0.32 5.43 -1.09 -0.39 -0.71 121.20 129.49 2auk s ILE 141 Ca 0.21 0.31 0.07 0.00 -2.23 0.00 0.00 60.65 59.01 2auk s ILE 141 Cb -0.15 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.09 2auk s ILE 141 CO 0.09 0.25 -0.05 0.68 -1.23 0.00 0.00 174.94 174.68 2auk s VAL 142 N 1.66 1.86 0.22 2.92 -7.23 -0.42 -2.07 120.40 117.34 2auk s VAL 142 Ca 0.10 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2auk s VAL 142 Cb -0.15 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.21 2auk s VAL 142 CO 0.09 -0.20 0.30 -0.90 -0.31 0.00 0.00 175.10 174.08 2auk n ASP 143 N -0.72 0.41 0.30 4.85 5.68 -0.17 0.07 116.55 126.98 2auk n ASP 143 Ca -0.05 -1.34 0.19 0.00 -0.50 0.00 0.00 54.79 53.08 2auk n ASP 143 Cb 0.64 -0.19 0.96 0.00 -1.14 0.00 0.00 41.12 41.39 2auk n ASP 143 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2auk h ALA 144 N -0.47 1.36 -0.29 2.12 0.00 -1.96 -0.61 119.26 119.42 2auk h ALA 144 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2auk h ALA 144 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2auk h ALA 144 CO 0.11 -0.21 0.00 1.04 0.00 0.00 0.00 179.25 180.19 2auk n GLN 145 N -3.22 2.33 -0.66 0.00 6.02 -1.26 -4.95 117.38 115.63 2auk n GLN 145 Ca -0.01 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.86 2auk n GLN 145 Cb 0.26 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2auk n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2auk n GLY 146 N 1.34 0.78 3.85 1.08 0.00 -0.24 -5.04 105.19 106.96 2auk n GLY 146 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2auk n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2auk s ASN 147 N -2.67 6.64 0.29 1.61 0.01 -1.26 -4.73 114.94 114.82 2auk s ASN 147 Ca 0.00 1.49 -0.29 0.00 -0.71 0.00 0.00 52.86 53.35 2auk s ASN 147 Cb 0.00 -2.47 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 2auk s ASN 147 CO 0.00 -0.52 1.44 -1.81 -1.51 0.00 0.00 177.10 174.70 2auk s ASP 148 N -2.98 6.59 -0.14 -1.22 1.11 -1.26 -0.99 116.67 117.77 2auk s ASP 148 Ca 0.58 2.77 -0.08 0.00 0.18 0.00 0.00 52.55 55.99 2auk s ASP 148 Cb -0.10 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.21 2auk s ASP 148 CO 0.29 -0.72 0.15 -0.69 1.18 0.00 0.00 175.17 175.38 2auk s VAL 149 N -0.39 5.45 0.19 -1.27 1.01 -0.88 -4.81 120.40 119.70 2auk s VAL 149 Ca 0.57 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 2auk s VAL 149 Cb -0.43 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2auk s VAL 149 CO 0.49 0.55 0.47 -0.76 0.00 0.00 0.00 175.10 175.85 2auk s LEU 150 N -0.51 4.22 0.15 3.92 1.43 -1.26 0.38 118.68 127.01 2auk s LEU 150 Ca 0.13 0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 2auk s LEU 150 Cb -0.12 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 2auk s LEU 150 CO 0.02 -0.01 1.38 -0.63 0.23 0.00 0.00 176.35 177.34 2auk s ILE 151 N -1.73 3.20 0.17 -0.59 -1.09 0.74 -4.68 121.20 117.22 2auk s ILE 151 Ca 0.44 0.90 -0.33 0.00 -2.23 0.00 0.00 60.65 59.43 2auk s ILE 151 Cb -0.12 -3.58 -0.15 0.00 -1.58 0.00 0.00 42.46 37.03 2auk s ILE 151 CO 0.22 0.09 1.27 -2.65 -1.23 0.00 0.00 174.94 172.65 2auk n PRO 152 N 3.47 1.40 -0.94 2.79 -0.02 -1.26 -1.76 135.00 138.68 2auk n PRO 152 Ca 0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2auk n PRO 152 Cb 0.42 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2auk n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2auk n GLY 153 N 2.22 0.58 3.45 -1.23 0.00 -1.26 -4.99 105.19 103.97 2auk n GLY 153 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2auk n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2auk s THR 154 N -2.57 0.62 -0.41 2.61 -4.23 -0.73 -5.02 115.64 105.92 2auk s THR 154 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2auk s THR 154 Cb 0.00 -2.46 0.43 0.00 1.34 0.00 0.00 72.50 71.81 2auk s THR 154 CO 0.00 0.00 1.34 -0.67 -0.54 0.00 0.00 174.62 174.75 2auk n ASP 155 N -1.12 3.46 -4.76 3.99 4.64 -1.26 -4.61 116.55 116.89 2auk n ASP 155 Ca -0.03 -2.67 -0.38 0.00 -1.38 0.00 0.00 54.79 50.33 2auk n ASP 155 Cb 0.65 -0.42 -0.06 0.00 -1.04 0.00 0.00 41.12 40.24 2auk n ASP 155 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 2auk s MET 156 N -2.20 4.18 0.42 -0.67 -1.94 -1.26 -4.97 119.30 112.85 2auk s MET 156 Ca 0.34 0.36 -0.25 0.00 -1.71 0.00 0.00 55.69 54.43 2auk s MET 156 Cb 0.26 -3.36 -0.08 0.00 2.01 0.00 0.00 34.83 33.66 2auk s MET 156 CO 0.10 0.36 1.26 -2.14 -0.01 0.00 0.00 175.02 174.59 2auk s PRO 157 N 0.01 3.91 -0.71 2.03 0.02 -1.26 -0.18 135.00 138.81 2auk s PRO 157 Ca 0.23 2.04 -0.26 0.00 0.02 0.00 0.00 61.00 63.03 2auk s PRO 157 Cb -0.15 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.70 2auk s PRO 157 CO 0.10 -0.50 1.60 0.00 -0.33 0.00 0.00 177.00 177.87 2auk s ALA 158 N -1.33 2.41 -0.15 -1.55 0.00 0.16 -4.61 121.76 116.69 2auk s ALA 158 Ca 0.59 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2auk s ALA 158 Cb -0.35 -4.32 0.04 0.00 0.00 0.00 0.00 23.12 18.49 2auk s ALA 158 CO 0.45 -3.69 -0.03 -1.14 0.00 0.00 0.00 175.76 171.34 2auk s GLN 159 N 6.39 1.20 -0.65 0.00 0.74 -1.26 -1.26 119.66 124.81 2auk s GLN 159 Ca 0.53 -0.36 -0.16 0.00 0.05 0.00 0.00 55.36 55.42 2auk s GLN 159 Cb -0.10 -1.78 0.16 0.00 1.10 0.00 0.00 33.01 32.39 2auk s GLN 159 CO 0.15 -0.41 0.63 0.71 -0.55 0.00 0.00 175.29 175.82 2auk s TYR 160 N 1.73 3.38 0.49 1.67 1.51 0.15 -4.91 117.35 121.37 2auk s TYR 160 Ca 0.02 -1.48 -0.23 0.00 -1.01 0.00 0.00 57.07 54.37 2auk s TYR 160 Cb -0.15 -3.85 -0.07 0.00 -0.11 0.00 0.00 41.96 37.79 2auk s TYR 160 CO -0.07 -1.06 1.36 -0.06 -1.11 0.00 0.00 175.55 174.60 2auk s PHE 161 N 1.31 2.44 -0.16 2.71 0.08 -1.26 -1.08 117.98 122.03 2auk s PHE 161 Ca 0.10 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.45 2auk s PHE 161 Cb -0.22 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.40 2auk s PHE 161 CO -0.01 -2.71 0.00 -0.51 -0.10 0.00 0.00 175.22 171.89 2auk s LEU 162 N -3.11 3.51 0.78 -0.37 1.43 -0.72 -4.89 118.68 115.31 2auk s LEU 162 Ca 0.66 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2auk s LEU 162 Cb -0.40 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.02 2auk s LEU 162 CO 0.49 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.20 2auk s PRO 163 N 0.19 2.23 0.51 1.29 0.04 -1.26 -4.81 135.00 133.18 2auk s PRO 163 Ca 0.01 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.55 2auk s PRO 163 Cb -0.13 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2auk s PRO 163 CO 0.02 -1.54 1.33 0.41 0.04 0.00 0.00 177.00 177.25 2auk n GLY 164 N -2.00 0.69 3.30 0.56 0.00 -1.26 -2.26 105.19 104.22 2auk n GLY 164 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2auk n GLY 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2auk n LYS 165 N -0.64 0.00 -1.83 1.61 5.02 0.51 -4.90 118.16 117.94 2auk n LYS 165 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 2auk n LYS 165 Cb 0.43 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2auk n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2auk s ALA 166 N -2.91 3.43 -0.18 7.82 0.00 -0.96 -4.46 121.76 124.50 2auk s ALA 166 Ca 0.00 1.50 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 2auk s ALA 166 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2auk s ALA 166 CO 0.00 -1.07 0.03 0.42 0.00 0.00 0.00 175.76 175.13 2auk s ILE 167 N -1.16 4.42 -0.16 0.00 1.01 0.93 -1.68 121.20 124.57 2auk s ILE 167 Ca 0.56 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.05 2auk s ILE 167 Cb -0.45 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.04 2auk s ILE 167 CO 0.59 0.46 -0.18 -0.69 0.00 0.00 0.00 174.94 175.12 2auk s VAL 168 N 0.52 2.38 -0.44 2.92 1.01 0.66 -1.18 120.40 126.27 2auk s VAL 168 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2auk s VAL 168 Cb -0.13 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2auk s VAL 168 CO 0.02 0.53 0.72 0.00 0.00 0.00 0.00 175.10 176.37 2auk n GLN 169 N 4.21 0.29 -3.10 2.72 10.64 -1.26 -0.18 117.38 130.70 2auk n GLN 169 Ca -0.20 -0.94 -0.23 0.00 -1.83 0.00 0.00 57.00 53.80 2auk n GLN 169 Cb 0.51 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.82 2auk n GLN 169 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 2auk s LEU 170 N -0.47 3.77 0.14 2.61 0.05 -1.26 -4.96 118.68 118.56 2auk s LEU 170 Ca 0.05 0.36 -0.17 0.00 0.05 0.00 0.00 54.13 54.43 2auk s LEU 170 Cb 0.03 -3.24 -0.07 0.00 -2.05 0.00 0.00 46.19 40.86 2auk s LEU 170 CO 0.05 -0.56 0.58 -1.61 -0.55 0.00 0.00 176.35 174.26 2auk s GLU 171 N -4.48 4.08 0.35 1.48 0.41 -1.26 -5.00 118.70 114.28 2auk s GLU 171 Ca 0.45 0.62 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 2auk s GLU 171 Cb -0.10 -3.01 -0.11 0.00 -1.78 0.00 0.00 34.13 29.13 2auk s GLU 171 CO 0.38 0.51 1.51 -3.47 -0.49 0.00 0.00 175.26 173.70 2auk n ASP 172 N 1.05 3.80 0.00 -0.19 2.03 -1.26 -1.93 116.55 120.04 2auk n ASP 172 Ca -0.06 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2auk n ASP 172 Cb 0.51 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 2auk n ASP 172 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2auk n GLY 173 N 0.92 2.19 3.73 0.27 0.00 0.28 -5.00 105.19 107.59 2auk n GLY 173 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2auk n GLY 173 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2auk n VAL 174 N -2.00 3.37 -2.62 1.61 3.14 -0.81 -4.40 118.33 116.62 2auk n VAL 174 Ca 0.00 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.49 2auk n VAL 174 Cb 0.00 -1.66 -0.05 0.00 -1.06 0.00 0.00 33.84 31.07 2auk n VAL 174 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2auk s GLN 175 N -2.66 4.65 0.14 1.45 0.74 -1.26 -1.18 119.66 121.54 2auk s GLN 175 Ca 0.68 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.69 2auk s GLN 175 Cb -0.44 -3.09 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 2auk s GLN 175 CO 0.52 0.29 0.01 0.96 -0.55 0.00 0.00 175.29 176.52 2auk s ILE 176 N -1.29 0.40 0.11 -2.34 -5.25 0.13 -4.92 121.20 108.04 2auk s ILE 176 Ca 0.46 -1.93 0.09 0.00 -0.99 0.00 0.00 60.65 58.28 2auk s ILE 176 Cb -0.27 -1.98 -0.04 0.00 2.95 0.00 0.00 42.46 43.12 2auk s ILE 176 CO 0.34 -0.57 -0.22 -0.55 -1.79 0.00 0.00 174.94 172.15 2auk s SER 177 N -3.08 2.74 0.34 4.36 0.15 -1.26 -1.07 113.70 115.87 2auk s SER 177 Ca 0.21 -0.71 -0.27 0.00 0.70 0.00 0.00 55.95 55.88 2auk s SER 177 Cb 0.07 -0.16 -0.13 0.00 -1.71 0.00 0.00 66.02 64.09 2auk s SER 177 CO 0.01 0.08 0.98 -1.54 1.20 0.00 0.00 173.24 173.97 2auk n SER 178 N 1.00 1.17 0.00 5.45 3.41 -1.22 -1.45 113.62 121.98 2auk n SER 178 Ca -0.19 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2auk n SER 178 Cb 0.54 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2auk n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2auk n GLY 179 N 1.24 0.70 3.82 5.00 0.00 0.47 -4.03 105.19 112.39 2auk n GLY 179 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2auk n GLY 179 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2auk s ASP 180 N -2.47 7.00 -0.12 1.61 1.01 -0.53 -4.67 116.67 118.50 2auk s ASP 180 Ca 0.00 1.65 -0.28 0.00 0.71 0.00 0.00 52.55 54.63 2auk s ASP 180 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2auk s ASP 180 CO 0.00 -0.26 0.92 -0.89 0.21 0.00 0.00 175.17 175.15 2auk s THR 181 N -2.01 4.84 -0.11 -1.27 2.01 -1.26 -2.19 115.64 115.64 2auk s THR 181 Ca 0.58 1.85 0.08 0.00 0.31 0.00 0.00 61.69 64.51 2auk s THR 181 Cb -0.11 -4.23 -0.24 0.00 0.01 0.00 0.00 72.50 67.93 2auk s THR 181 CO 0.16 0.04 0.40 0.18 -0.69 0.00 0.00 174.62 174.71 2auk n LEU 182 N 4.93 1.33 -3.68 4.42 4.77 0.44 -4.98 117.00 124.23 2auk n LEU 182 Ca 0.06 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2auk n LEU 182 Cb 0.49 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2auk n LEU 182 CO 0.50 0.57 0.48 0.00 -1.33 0.00 0.00 177.39 177.62 2auk s ALA 183 N -2.56 -1.43 -0.05 -1.18 0.00 -1.17 -4.63 121.76 110.75 2auk s ALA 183 Ca -0.13 0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2auk s ALA 183 Cb 0.07 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2auk s ALA 183 CO 0.79 -0.93 -0.15 1.03 0.00 0.00 0.00 175.76 176.51 2auk s ARG 184 N -3.76 1.68 -0.26 0.00 0.52 -0.32 -0.07 118.95 116.74 2auk s ARG 184 Ca 0.07 -0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 54.68 2auk s ARG 184 Cb -0.04 -1.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2auk s ARG 184 CO -0.01 0.16 0.13 0.42 0.02 0.00 0.00 175.30 176.01 2auk s ILE 185 N 0.26 4.82 0.99 1.52 1.01 0.12 -0.05 121.20 129.87 2auk s ILE 185 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2auk s ILE 185 Cb -0.13 -3.27 0.18 0.00 0.01 0.00 0.00 42.46 39.25 2auk s ILE 185 CO 0.03 0.30 1.08 -2.84 0.00 0.00 0.00 174.94 173.51 2auk s PRO 186 N 1.63 0.48 0.18 2.79 0.02 -1.26 -1.22 135.00 137.62 2auk s PRO 186 Ca 0.07 0.71 0.01 0.00 0.02 0.00 0.00 61.00 61.81 2auk s PRO 186 Cb -0.15 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2auk s PRO 186 CO 0.07 -2.75 0.34 -0.65 -0.33 0.00 0.00 177.00 173.68 2auk s GLN 187 N -4.85 3.47 0.00 5.54 -0.21 -1.24 -4.85 119.66 117.51 2auk s GLN 187 Ca 0.65 -0.51 0.32 0.00 0.02 0.00 0.00 55.36 55.84 2auk s GLN 187 Cb -0.20 -2.91 1.89 0.00 1.00 0.00 0.00 33.01 32.79 2auk s GLN 187 CO 0.59 0.46 2.21 0.39 -2.12 0.00 0.00 175.29 176.81