#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1log s GLU 2 N 0.00 1.01 -0.01 -2.82 2.02 -1.26 -5.15 118.70 112.49 1log s GLU 2 Ca 0.00 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1log s GLU 2 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1log s GLU 2 CO 0.00 0.01 -0.04 0.99 0.02 0.00 0.00 175.26 176.24 1log s THR 3 N 0.59 0.33 -0.03 3.63 2.01 -1.26 -5.05 115.64 115.86 1log s THR 3 Ca -0.09 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1log s THR 3 Cb -0.12 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1log s THR 3 CO 0.01 0.11 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.07 1log s THR 4 N 0.13 0.79 -0.01 -0.82 2.01 -1.26 -5.11 115.64 111.38 1log s THR 4 Ca -0.01 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1log s THR 4 Cb -0.04 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1log s THR 4 CO -0.00 0.25 0.25 -0.44 -0.69 0.00 0.00 174.62 173.99 1log s SER 5 N 0.19 -0.12 0.15 3.53 0.01 -1.26 -5.11 113.70 111.10 1log s SER 5 Ca -0.03 -0.02 -0.23 0.00 1.31 0.00 0.00 55.95 56.97 1log s SER 5 Cb -0.09 0.28 0.07 0.00 0.21 0.00 0.00 66.02 66.49 1log s SER 5 CO 0.01 -0.43 0.62 0.72 0.41 0.00 0.00 173.24 174.56 1log s PHE 6 N -1.39 -0.53 -0.05 2.43 -0.12 -1.26 -5.16 117.98 111.90 1log s PHE 6 Ca -0.14 0.32 -0.03 0.00 -0.05 0.00 0.00 56.93 57.04 1log s PHE 6 Cb -0.06 0.56 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1log s PHE 6 CO 0.03 -0.83 0.12 -1.54 -0.05 0.00 0.00 175.22 172.95 1log s SER 7 N -2.73 -0.09 -0.27 1.98 1.04 -1.26 -5.10 113.70 107.27 1log s SER 7 Ca 0.01 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1log s SER 7 Cb -0.01 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1log s SER 7 CO -0.13 -0.10 -0.04 -0.63 0.98 0.00 0.00 173.24 173.32 1log s ILE 8 N 0.73 1.86 0.02 -1.02 1.01 -1.26 -5.01 121.20 117.53 1log s ILE 8 Ca -0.06 -1.60 0.10 0.00 0.00 0.00 0.00 60.65 59.10 1log s ILE 8 Cb -0.08 -2.13 -0.10 0.00 0.01 0.00 0.00 42.46 40.17 1log s ILE 8 CO -0.03 -0.21 1.36 0.74 0.00 0.00 0.00 174.94 176.80 1log h THR 9 N 6.68 1.38 -2.50 2.92 2.02 -2.00 -3.46 112.91 117.96 1log h THR 9 Ca -0.15 -2.91 -0.09 0.00 0.77 0.00 0.00 66.41 64.03 1log h THR 9 Cb 1.05 2.66 -0.24 0.00 -1.74 0.00 0.00 68.15 69.87 1log h THR 9 CO 0.45 0.78 -0.18 -0.54 0.37 0.00 0.00 175.52 176.40 1log s LYS 10 N -2.84 0.52 -0.13 6.66 1.02 -1.26 -5.09 119.74 118.61 1log s LYS 10 Ca 0.02 0.82 -0.20 0.00 0.02 0.00 0.00 55.97 56.63 1log s LYS 10 Cb 0.09 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1log s LYS 10 CO 0.79 -0.12 0.57 -0.06 -0.92 0.00 0.00 175.35 175.61 1log s PHE 11 N 0.99 3.48 0.76 3.18 0.40 -0.44 -5.01 117.98 121.34 1log s PHE 11 Ca -0.06 0.97 -0.03 0.00 -0.60 0.00 0.00 56.93 57.21 1log s PHE 11 Cb -0.06 -2.69 0.14 0.00 0.51 0.00 0.00 43.02 40.93 1log s PHE 11 CO -0.09 0.04 1.05 0.20 0.70 0.00 0.00 175.22 177.12 1log s GLY 12 N 0.87 1.76 0.58 4.36 0.00 -1.26 -3.34 107.32 110.29 1log s GLY 12 Ca 0.29 -1.67 0.34 0.00 0.00 0.00 0.00 44.72 43.68 1log s GLY 12 CO 0.12 -1.06 2.18 -0.56 0.00 0.00 0.00 173.10 173.78 1log h PRO 13 N -0.72 0.00 -2.80 2.90 0.13 -1.98 -3.36 132.00 126.18 1log h PRO 13 Ca -0.37 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 1log h PRO 13 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 1log h PRO 13 CO 0.39 0.05 -0.77 0.34 -0.23 0.00 0.00 178.00 177.78 1log s ASP 14 N -5.80 3.23 -1.13 1.44 2.15 -1.26 -4.88 116.67 110.43 1log s ASP 14 Ca -0.03 -3.08 -0.13 0.00 0.43 0.00 0.00 52.55 49.74 1log s ASP 14 Cb 0.13 -0.98 0.21 0.00 -0.30 0.00 0.00 42.92 41.98 1log s ASP 14 CO 0.52 -0.19 1.25 -1.58 -0.17 0.00 0.00 175.17 175.00 1log s GLN 15 N -0.19 4.06 0.15 4.34 2.00 -1.26 -4.86 119.66 123.89 1log s GLN 15 Ca 0.24 -2.74 0.16 0.00 -2.00 0.00 0.00 55.36 51.03 1log s GLN 15 Cb -0.10 -4.83 0.73 0.00 0.80 0.00 0.00 33.01 29.61 1log s GLN 15 CO -0.11 -1.55 1.50 1.04 -0.50 0.00 0.00 175.29 175.68 1log n GLN 16 N 4.55 0.09 -0.61 1.67 6.02 -1.26 -2.52 117.38 125.32 1log n GLN 16 Ca 0.30 0.42 0.04 0.00 -0.01 0.00 0.00 57.00 57.75 1log n GLN 16 Cb 0.42 -1.71 0.27 0.00 1.02 0.00 0.00 30.24 30.25 1log n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1log n ASN 17 N -1.89 4.19 -4.22 1.08 6.94 -1.26 -4.85 115.26 115.25 1log n ASN 17 Ca 0.02 -2.64 -0.20 0.00 -0.02 0.00 0.00 54.58 51.74 1log n ASN 17 Cb 0.14 -0.63 -0.12 0.00 -2.36 0.00 0.00 39.78 36.81 1log n ASN 17 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1log s LEU 18 N -1.87 2.29 -0.19 -4.53 2.96 -1.05 -1.30 118.68 115.00 1log s LEU 18 Ca 0.37 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1log s LEU 18 Cb 0.28 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1log s LEU 18 CO 0.11 -0.03 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.45 1log s ILE 19 N -1.29 3.74 -0.12 6.68 1.01 0.28 -4.82 121.20 126.68 1log s ILE 19 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 1log s ILE 19 Cb -0.10 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1log s ILE 19 CO 0.03 0.45 0.13 -0.36 0.00 0.00 0.00 174.94 175.18 1log s PHE 20 N 0.95 3.55 0.06 3.97 0.08 -1.26 -0.73 117.98 124.60 1log s PHE 20 Ca 0.00 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.58 1log s PHE 20 Cb -0.14 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1log s PHE 20 CO 0.01 0.69 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.05 1log s GLN 21 N -0.92 0.72 6.58 0.44 -0.21 0.33 -4.95 119.66 121.65 1log s GLN 21 Ca 0.14 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1log s GLN 21 Cb -0.12 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.27 1log s GLN 21 CO 0.03 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 1log n GLY 22 N 1.28 2.08 1.64 3.09 0.00 -1.26 -0.01 105.19 112.01 1log n GLY 22 Ca -0.21 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1log n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1log n ASP 23 N 4.89 4.88 -4.74 1.61 8.00 -0.00 -4.90 116.55 126.28 1log n ASP 23 Ca 0.00 -2.72 -0.42 0.00 0.71 0.00 0.00 54.79 52.36 1log n ASP 23 Cb 0.00 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.44 1log n ASP 23 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1log s GLY 24 N -0.68 2.08 0.37 0.44 0.00 -0.97 -4.78 107.32 103.78 1log s GLY 24 Ca 0.46 1.36 -0.16 0.00 0.00 0.00 0.00 44.72 46.37 1log s GLY 24 CO 0.15 2.41 0.82 -2.52 0.00 0.00 0.00 173.10 173.95 1log s TYR 25 N 0.35 0.13 -0.04 1.90 1.13 -0.69 -4.67 117.35 115.47 1log s TYR 25 Ca 0.63 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 55.53 1log s TYR 25 Cb -0.43 0.84 -0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1log s TYR 25 CO 0.40 -1.54 -0.16 -0.08 -2.51 0.00 0.00 175.55 171.66 1log s THR 26 N -2.19 1.35 -0.28 -3.49 -1.32 -1.26 0.05 115.64 108.51 1log s THR 26 Ca 0.16 -0.68 -0.20 0.00 -1.21 0.00 0.00 61.69 59.76 1log s THR 26 Cb -0.05 -1.16 0.09 0.00 -1.51 0.00 0.00 72.50 69.87 1log s THR 26 CO 0.11 0.39 0.77 0.28 -2.21 0.00 0.00 174.62 173.96 1log s THR 27 N 0.02 0.00 -1.35 5.08 -1.32 0.44 -4.82 115.64 113.68 1log s THR 27 Ca -0.03 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1log s THR 27 Cb -0.11 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 1log s THR 27 CO 0.02 0.00 0.72 1.17 -2.21 0.00 0.00 174.62 174.32 1log n LYS 28 N 3.40 -4.87 -1.12 7.08 0.00 -1.26 -1.06 118.16 120.32 1log n LYS 28 Ca -0.17 0.60 -0.04 0.00 0.00 0.00 0.00 58.31 58.70 1log n LYS 28 Cb 0.57 -5.17 -0.02 0.00 0.00 0.00 0.00 35.03 30.41 1log n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1log n GLU 29 N -4.35 -1.28 -4.40 1.64 1.02 -1.21 -5.00 120.64 107.06 1log n GLU 29 Ca -0.25 0.53 -0.27 0.00 -0.02 0.00 0.00 57.16 57.15 1log n GLU 29 Cb 0.65 -4.59 -0.12 0.00 -0.02 0.00 0.00 31.44 27.36 1log n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1log s ARG 30 N -1.90 1.46 -0.37 3.49 0.52 -0.23 -1.33 118.95 120.59 1log s ARG 30 Ca 0.00 -1.46 -0.20 0.00 -0.52 0.00 0.00 55.73 53.55 1log s ARG 30 Cb 0.00 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.66 1log s ARG 30 CO 0.00 0.41 0.62 -1.17 0.02 0.00 0.00 175.30 175.18 1log s LEU 31 N -2.47 4.31 -0.31 2.53 2.96 -1.26 -0.42 118.68 124.02 1log s LEU 31 Ca 0.18 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.02 1log s LEU 31 Cb -0.08 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1log s LEU 31 CO 0.08 -0.61 0.20 0.42 -1.32 0.00 0.00 176.35 175.12 1log s THR 32 N 2.69 5.08 0.03 3.68 -4.23 0.11 -4.93 115.64 118.07 1log s THR 32 Ca 0.23 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 1log s THR 32 Cb -0.14 -3.54 -0.36 0.00 1.34 0.00 0.00 72.50 69.80 1log s THR 32 CO 0.15 0.11 1.00 -0.07 -0.54 0.00 0.00 174.62 175.27 1log h LEU 33 N 8.41 0.84 -7.65 4.79 3.38 -1.88 -1.84 115.31 121.35 1log h LEU 33 Ca -0.33 -0.90 -0.16 0.00 0.09 0.00 0.00 57.88 56.58 1log h LEU 33 Cb 1.17 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 41.41 1log h LEU 33 CO 0.60 1.70 -0.50 -0.89 0.09 0.00 0.00 178.44 179.45 1log s THR 34 N -2.60 0.05 0.56 0.22 2.01 -1.26 -3.23 115.64 111.38 1log s THR 34 Ca -0.09 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1log s THR 34 Cb 0.04 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1log s THR 34 CO 0.95 -0.21 0.83 -0.54 -0.69 0.00 0.00 174.62 174.96 1log s LYS 35 N -0.72 2.80 -1.38 4.92 -0.14 -1.26 -4.98 119.74 118.99 1log s LYS 35 Ca -0.08 -0.30 -0.15 0.00 -1.36 0.00 0.00 55.97 54.08 1log s LYS 35 Cb -0.05 -2.37 0.06 0.00 -1.68 0.00 0.00 37.83 33.80 1log s LYS 35 CO 0.01 -0.65 1.99 0.00 -0.76 0.00 0.00 175.35 175.94 1log n ALA 36 N -2.45 4.71 -2.50 5.17 0.00 -1.26 -4.82 120.51 119.35 1log n ALA 36 Ca 0.05 -3.91 -0.13 0.00 0.00 0.00 0.00 53.44 49.45 1log n ALA 36 Cb 0.58 -3.51 -0.11 0.00 0.00 0.00 0.00 19.45 16.41 1log n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1log s VAL 37 N 3.35 0.76 0.50 0.00 1.01 -1.26 -5.09 120.40 119.68 1log s VAL 37 Ca 0.49 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1log s VAL 37 Cb 0.09 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1log s VAL 37 CO -0.02 -0.59 0.76 0.00 0.00 0.00 0.00 175.10 175.25 1log s ARG 38 N -2.72 3.04 -1.26 2.72 1.70 -1.26 -4.51 118.95 116.66 1log s ARG 38 Ca 0.03 -0.28 -0.23 0.00 -0.47 0.00 0.00 55.73 54.78 1log s ARG 38 Cb -0.03 -2.45 0.02 0.00 -0.57 0.00 0.00 34.95 31.93 1log s ARG 38 CO -0.01 -0.42 0.60 0.09 -1.08 0.00 0.00 175.30 174.48 1log n ASN 39 N -2.27 -3.39 -4.42 -2.89 4.13 -1.26 -5.01 115.26 100.15 1log n ASN 39 Ca 0.02 -1.19 -0.21 0.00 1.68 0.00 0.00 54.58 54.89 1log n ASN 39 Cb 0.57 -2.30 -0.10 0.00 -1.54 0.00 0.00 39.78 36.41 1log n ASN 39 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1log s THR 40 N -3.67 1.53 -0.02 3.41 -4.23 -1.26 -5.05 115.64 106.35 1log s THR 40 Ca 0.37 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1log s THR 40 Cb -0.18 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1log s THR 40 CO 0.94 -0.26 -0.03 -0.69 -0.54 0.00 0.00 174.62 174.04 1log s VAL 41 N -3.08 0.29 0.00 2.29 1.01 -1.26 -4.65 120.40 115.01 1log s VAL 41 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1log s VAL 41 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1log s VAL 41 CO 0.12 0.13 -0.01 -0.83 0.00 0.00 0.00 175.10 174.50 1log s GLY 42 N 0.44 0.08 0.04 4.51 0.00 -1.20 -0.82 107.32 110.37 1log s GLY 42 Ca -0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.46 1log s GLY 42 CO -0.01 -0.16 0.12 0.50 0.00 0.00 0.00 173.10 173.56 1log s ARG 43 N -0.31 0.63 -0.05 2.90 0.52 0.99 -4.82 118.95 118.81 1log s ARG 43 Ca -0.03 -0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1log s ARG 43 Cb -0.02 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.73 1log s ARG 43 CO -0.00 -0.17 0.12 0.00 0.02 0.00 0.00 175.30 175.27 1log s ALA 44 N -2.74 -0.22 0.10 2.13 0.00 -1.26 -0.52 121.76 119.26 1log s ALA 44 Ca -0.04 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.53 1log s ALA 44 Cb -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1log s ALA 44 CO -0.05 -0.12 -0.26 -0.51 0.00 0.00 0.00 175.76 174.82 1log s LEU 45 N 0.81 2.26 0.28 0.00 1.43 0.09 -4.93 118.68 118.62 1log s LEU 45 Ca -0.06 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 1log s LEU 45 Cb -0.08 -1.21 -0.10 0.00 0.03 0.00 0.00 46.19 44.83 1log s LEU 45 CO -0.04 0.20 1.20 -0.47 0.23 0.00 0.00 176.35 177.47 1log s TYR 46 N -0.97 3.34 0.15 0.29 5.04 -1.26 -0.56 117.35 123.39 1log s TYR 46 Ca 0.12 1.53 -0.17 0.00 -2.44 0.00 0.00 57.07 56.11 1log s TYR 46 Cb -0.10 -3.47 0.05 0.00 0.35 0.00 0.00 41.96 38.79 1log s TYR 46 CO 0.04 -1.21 1.71 1.03 -1.34 0.00 0.00 175.55 175.78 1log h SER 47 N 3.94 -0.13 -3.52 4.32 0.87 -1.51 -3.43 113.55 114.09 1log h SER 47 Ca -0.47 0.07 -0.52 0.00 -1.23 0.00 0.00 61.79 59.64 1log h SER 47 Cb 1.22 0.13 0.02 0.00 -0.44 0.00 0.00 62.40 63.33 1log h SER 47 CO 0.68 -0.03 0.57 -0.55 -0.53 0.00 0.00 176.83 176.97 1log s SER 48 N -5.25 7.06 0.46 6.23 0.15 -1.26 -5.03 113.70 116.05 1log s SER 48 Ca -0.13 2.29 -0.23 0.00 0.70 0.00 0.00 55.95 58.57 1log s SER 48 Cb 0.12 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1log s SER 48 CO 0.70 -0.38 1.00 -2.65 1.20 0.00 0.00 173.24 173.10 1log n PRO 49 N 2.31 1.27 -4.65 5.44 -0.02 -1.26 -5.05 135.00 133.05 1log n PRO 49 Ca 0.04 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 1log n PRO 49 Cb 0.44 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 1log n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1log s ILE 50 N -1.33 1.88 -0.51 4.25 -4.36 -1.26 -5.08 121.20 114.79 1log s ILE 50 Ca 0.65 -1.36 -0.22 0.00 -0.26 0.00 0.00 60.65 59.46 1log s ILE 50 Cb -0.52 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 41.59 1log s ILE 50 CO 0.55 0.21 0.80 -2.28 0.24 0.00 0.00 174.94 174.46 1log s HIS 51 N -0.88 2.93 -0.22 1.37 5.65 -1.26 -4.91 115.29 117.97 1log s HIS 51 Ca 0.09 -0.13 0.12 0.00 0.25 0.00 0.00 55.06 55.40 1log s HIS 51 Cb -0.09 -3.78 -0.22 0.00 -1.18 0.00 0.00 32.58 27.30 1log s HIS 51 CO 0.03 -1.15 -0.03 1.51 -0.65 0.00 0.00 174.74 174.45 1log n ILE 52 N 5.99 1.43 -4.10 0.89 0.13 -1.26 -4.75 119.36 117.69 1log n ILE 52 Ca -0.01 -0.76 -0.12 0.00 -1.10 0.00 0.00 62.75 60.77 1log n ILE 52 Cb 0.47 -0.79 -0.07 0.00 -0.84 0.00 0.00 39.64 38.41 1log n ILE 52 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1log s TRP 53 N -2.50 0.82 -0.09 9.51 1.48 -1.26 -0.24 118.94 126.66 1log s TRP 53 Ca -0.18 -1.10 -0.01 0.00 -1.06 0.00 0.00 56.10 53.75 1log s TRP 53 Cb 0.07 -0.15 0.03 0.00 -1.16 0.00 0.00 33.47 32.25 1log s TRP 53 CO 0.75 -0.90 -0.04 0.34 -4.06 0.00 0.00 176.95 173.05 1log s ASP 54 N -3.12 1.86 0.38 -2.66 2.15 0.51 -4.98 116.67 110.81 1log s ASP 54 Ca 0.30 -0.19 0.12 0.00 0.43 0.00 0.00 52.55 53.21 1log s ASP 54 Cb 0.02 -0.63 0.75 0.00 -0.30 0.00 0.00 42.92 42.76 1log s ASP 54 CO 0.13 -0.16 1.86 0.77 -0.17 0.00 0.00 175.17 177.60 1log h SER 55 N 8.25 0.08 0.37 -0.34 4.64 -1.94 0.41 113.55 125.01 1log h SER 55 Ca -0.25 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1log h SER 55 Cb 1.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1log h SER 55 CO 0.33 0.37 -0.18 0.50 -0.87 0.00 0.00 176.83 176.99 1log h LYS 56 N 0.07 -0.47 0.00 4.77 3.64 -1.97 -3.23 116.57 119.37 1log h LYS 56 Ca 0.01 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1log h LYS 56 Cb 0.56 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1log h LYS 56 CO 0.04 -0.26 -1.02 1.15 -2.27 0.00 0.00 179.45 177.08 1log h THR 57 N -0.58 0.42 0.00 1.00 2.02 -1.99 -3.47 112.91 110.31 1log h THR 57 Ca -0.05 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1log h THR 57 Cb 0.43 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1log h THR 57 CO 0.08 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1log n GLY 58 N 1.29 0.86 3.78 2.16 0.00 0.14 -5.04 105.19 108.38 1log n GLY 58 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1log n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1log s ASN 59 N -2.74 5.84 0.02 1.61 0.01 -1.21 -4.79 114.94 113.69 1log s ASN 59 Ca 0.00 2.05 0.02 0.00 -0.71 0.00 0.00 52.86 54.22 1log s ASN 59 Cb 0.00 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1log s ASN 59 CO 0.00 -1.13 -0.08 0.54 -1.51 0.00 0.00 177.10 174.92 1log s VAL 60 N -1.97 0.60 0.60 1.60 0.11 -1.26 -0.36 120.40 119.72 1log s VAL 60 Ca 0.70 -0.73 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 1log s VAL 60 Cb -0.20 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1log s VAL 60 CO 0.27 -0.11 1.16 0.00 -3.33 0.00 0.00 175.10 173.09 1log s ALA 61 N -0.79 2.54 0.05 1.54 0.00 0.67 -4.76 121.76 121.01 1log s ALA 61 Ca -0.03 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 1log s ALA 61 Cb -0.06 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1log s ALA 61 CO 0.00 -1.12 0.36 -0.80 0.00 0.00 0.00 175.76 174.21 1log s ASN 62 N -1.94 6.60 0.10 0.00 0.01 -1.26 -4.14 114.94 114.32 1log s ASN 62 Ca 0.73 0.73 -0.18 0.00 -0.71 0.00 0.00 52.86 53.43 1log s ASN 62 Cb -0.25 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.29 1log s ASN 62 CO 0.34 0.20 0.43 0.72 -1.51 0.00 0.00 177.10 177.28 1log s PHE 63 N -1.35 -0.27 -0.09 2.20 -0.12 -0.92 -5.00 117.98 112.43 1log s PHE 63 Ca 0.31 0.05 -0.06 0.00 -0.05 0.00 0.00 56.93 57.18 1log s PHE 63 Cb -0.14 0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1log s PHE 63 CO 0.17 -0.68 0.22 0.54 -0.05 0.00 0.00 175.22 175.42 1log s VAL 64 N -3.38 -0.02 0.03 -2.49 0.11 -1.26 -0.43 120.40 112.96 1log s VAL 64 Ca 0.00 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1log s VAL 64 Cb 0.01 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1log s VAL 64 CO -0.09 0.04 -0.15 0.28 -3.33 0.00 0.00 175.10 171.85 1log s THR 65 N 0.78 1.17 0.02 5.04 -1.32 -0.49 -5.01 115.64 115.83 1log s THR 65 Ca -0.06 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 1log s THR 65 Cb -0.07 -1.05 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1log s THR 65 CO -0.05 0.06 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.42 1log s SER 66 N -1.06 0.71 0.07 8.08 1.04 -1.26 -1.27 113.70 120.01 1log s SER 66 Ca 0.03 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 1log s SER 66 Cb -0.08 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1log s SER 66 CO 0.01 -0.05 0.25 0.72 0.98 0.00 0.00 173.24 175.15 1log s PHE 67 N -0.66 0.02 -0.07 5.02 -0.71 -0.78 -5.00 117.98 115.80 1log s PHE 67 Ca -0.03 -0.31 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 1log s PHE 67 Cb -0.05 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1log s PHE 67 CO 0.00 -0.53 -0.22 0.95 -1.34 0.00 0.00 175.22 174.08 1log s THR 68 N -3.21 2.29 0.35 -4.49 -4.23 -1.26 -1.53 115.64 103.57 1log s THR 68 Ca -0.00 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1log s THR 68 Cb 0.02 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 1log s THR 68 CO -0.07 0.57 0.00 0.72 -0.54 0.00 0.00 174.62 175.30 1log s PHE 69 N -0.15 2.24 -0.02 3.99 -0.71 -0.68 -4.93 117.98 117.72 1log s PHE 69 Ca -0.03 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.12 1log s PHE 69 Cb -0.14 -1.47 0.01 0.00 -1.21 0.00 0.00 43.02 40.21 1log s PHE 69 CO 0.04 0.30 -0.05 0.08 -1.34 0.00 0.00 175.22 174.24 1log s VAL 70 N -2.93 0.51 -0.20 -2.49 1.01 -1.26 -0.98 120.40 114.05 1log s VAL 70 Ca 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1log s VAL 70 Cb 0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1log s VAL 70 CO 0.16 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.79 1log s ILE 71 N 0.42 3.71 -0.37 2.22 1.01 -1.26 -5.02 121.20 121.90 1log s ILE 71 Ca -0.05 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1log s ILE 71 Cb -0.09 -2.67 0.11 0.00 0.01 0.00 0.00 42.46 39.81 1log s ILE 71 CO -0.00 0.43 0.09 -0.62 0.00 0.00 0.00 174.94 174.84 1log s ASP 72 N 1.10 4.63 0.38 3.58 2.15 -1.26 -0.79 116.67 126.46 1log s ASP 72 Ca 0.02 -2.26 -0.00 0.00 0.43 0.00 0.00 52.55 50.73 1log s ASP 72 Cb -0.14 -1.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.88 1log s ASP 72 CO 0.01 -0.36 0.60 0.00 -0.17 0.00 0.00 175.17 175.25 1log s ALA 73 N 0.76 3.68 0.53 3.66 0.00 -1.26 -4.87 121.76 124.26 1log s ALA 73 Ca 0.12 -0.89 0.22 0.00 0.00 0.00 0.00 51.96 51.41 1log s ALA 73 Cb -0.20 -2.17 1.38 0.00 0.00 0.00 0.00 23.12 22.13 1log s ALA 73 CO -0.08 -0.13 2.07 -1.00 0.00 0.00 0.00 175.76 176.62 1log h PRO 74 N 0.62 0.00 -2.35 0.00 0.13 -1.99 -3.46 132.00 124.95 1log h PRO 74 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1log h PRO 74 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1log h PRO 74 CO 0.60 0.00 0.57 0.54 -0.23 0.00 0.00 178.00 179.48 1log s ASN 75 N -6.48 -0.08 -0.01 1.44 2.20 -1.26 -5.05 114.94 105.70 1log s ASN 75 Ca -0.05 -0.51 0.03 0.00 -0.94 0.00 0.00 52.86 51.39 1log s ASN 75 Cb 0.18 0.46 0.09 0.00 -2.00 0.00 0.00 41.25 39.99 1log s ASN 75 CO 0.69 -0.89 0.93 -1.20 -2.94 0.00 0.00 177.10 173.69 1log n SER 76 N -0.83 0.92 -0.01 3.54 7.64 -1.26 -3.68 113.62 119.93 1log n SER 76 Ca -0.05 -2.04 -0.02 0.00 1.01 0.00 0.00 58.87 57.77 1log n SER 76 Cb 0.60 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.56 1log n SER 76 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1log n TYR 77 N -0.11 0.00 -3.28 1.43 4.01 -1.26 -4.87 117.16 113.09 1log n TYR 77 Ca 0.03 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.32 1log n TYR 77 Cb 0.19 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1log n TYR 77 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1log s ASN 78 N -4.07 7.05 -0.05 7.72 0.01 -1.24 -4.97 114.94 119.39 1log s ASN 78 Ca -0.03 -3.11 0.02 0.00 -0.71 0.00 0.00 52.86 49.03 1log s ASN 78 Cb 0.01 -2.24 0.02 0.00 0.41 0.00 0.00 41.25 39.45 1log s ASN 78 CO 0.06 -0.48 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.39 1log s VAL 79 N -0.25 0.82 -0.06 1.60 1.01 -1.26 -4.38 120.40 117.89 1log s VAL 79 Ca 0.27 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1log s VAL 79 Cb -0.09 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.61 1log s VAL 79 CO -0.08 0.28 0.89 0.00 0.00 0.00 0.00 175.10 176.20 1log s ALA 80 N 0.74 -1.85 -0.09 5.51 0.00 -1.26 -4.15 121.76 120.66 1log s ALA 80 Ca -0.13 1.23 0.15 0.00 0.00 0.00 0.00 51.96 53.22 1log s ALA 80 Cb -0.15 -0.00 -0.23 0.00 0.00 0.00 0.00 23.12 22.74 1log s ALA 80 CO 0.02 -0.52 0.22 -0.25 0.00 0.00 0.00 175.76 175.22 1log n ASP 81 N 0.22 1.16 0.00 0.00 8.00 -1.26 -5.04 116.55 119.63 1log n ASP 81 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1log n ASP 81 Cb 0.60 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 43.04 1log n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1log n GLY 82 N 1.79 0.82 3.11 0.44 0.00 -1.26 -1.04 105.19 109.05 1log n GLY 82 Ca -0.14 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1log n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1log s PHE 83 N -2.27 0.30 -0.03 1.61 5.36 0.28 -4.98 117.98 118.25 1log s PHE 83 Ca 0.00 -0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 55.24 1log s PHE 83 Cb 0.00 -0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1log s PHE 83 CO 0.00 -0.39 0.08 0.99 -1.46 0.00 0.00 175.22 174.44 1log s THR 84 N -3.17 0.01 -0.18 0.12 2.01 -1.26 -0.34 115.64 112.83 1log s THR 84 Ca -0.00 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 1log s THR 84 Cb 0.02 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1log s THR 84 CO -0.07 -0.06 0.05 0.12 -0.69 0.00 0.00 174.62 173.97 1log s PHE 85 N -0.15 3.23 0.12 4.92 5.36 -0.54 -4.97 117.98 125.94 1log s PHE 85 Ca -0.02 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1log s PHE 85 Cb -0.02 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 1log s PHE 85 CO 0.00 0.13 0.00 -0.59 -1.46 0.00 0.00 175.22 173.31 1log s PHE 86 N 0.36 0.89 -0.13 10.12 -0.71 -1.26 -1.03 117.98 126.22 1log s PHE 86 Ca 0.02 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 54.84 1log s PHE 86 Cb -0.13 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1log s PHE 86 CO 0.00 -0.34 -0.16 0.42 -1.34 0.00 0.00 175.22 173.81 1log s ILE 87 N -3.83 1.60 0.24 -4.49 1.01 -0.20 -5.01 121.20 110.53 1log s ILE 87 Ca 0.18 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1log s ILE 87 Cb 0.07 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1log s ILE 87 CO -0.01 0.46 0.29 0.00 0.00 0.00 0.00 174.94 175.68 1log s ALA 88 N 1.14 0.76 0.68 9.38 0.00 -1.26 -1.81 121.76 130.64 1log s ALA 88 Ca -0.03 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 1log s ALA 88 Cb -0.14 1.27 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 1log s ALA 88 CO -0.05 -0.70 0.77 -2.30 0.00 0.00 0.00 175.76 173.48 1log n PRO 89 N -0.37 0.52 -0.28 0.00 -0.02 -1.25 -4.89 135.00 128.71 1log n PRO 89 Ca 0.01 0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 1log n PRO 89 Cb 0.64 -2.02 0.41 0.00 -0.02 0.00 0.00 33.50 32.51 1log n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1log h VAL 90 N -0.07 0.76 -0.29 -1.45 2.07 -1.99 -0.85 116.25 114.42 1log h VAL 90 Ca -0.47 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1log h VAL 90 Cb 1.35 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1log h VAL 90 CO 0.46 0.11 0.00 -0.90 0.02 0.00 0.00 177.57 177.27 1log n ASP 91 N -4.58 2.56 -4.68 0.57 5.75 -1.26 -4.99 116.55 109.92 1log n ASP 91 Ca 0.19 -2.24 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1log n ASP 91 Cb 0.57 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1log n ASP 91 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1log n THR 92 N 0.35 1.74 -4.28 2.12 5.66 -0.33 -5.04 114.28 114.51 1log n THR 92 Ca 0.12 -0.44 -0.15 0.00 -3.05 0.00 0.00 64.05 60.53 1log n THR 92 Cb 0.51 -1.47 -0.10 0.00 -1.55 0.00 0.00 70.33 67.72 1log n THR 92 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1log s LYS 93 N -1.48 1.19 0.20 1.09 -2.85 -1.26 -5.08 119.74 111.55 1log s LYS 93 Ca 0.59 -1.56 -0.32 0.00 -1.00 0.00 0.00 55.97 53.67 1log s LYS 93 Cb -0.61 -0.57 -0.15 0.00 -2.06 0.00 0.00 37.83 34.45 1log s LYS 93 CO 0.59 -0.03 1.26 -2.30 0.10 0.00 0.00 175.35 174.96 1log n PRO 94 N -0.30 1.49 0.00 1.78 -0.02 -1.26 -4.97 135.00 131.72 1log n PRO 94 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1log n PRO 94 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1log n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1log n GLN 95 N 1.87 3.38 -2.42 -0.52 1.13 -0.34 -5.01 117.38 115.48 1log n GLN 95 Ca 0.14 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.82 1log n GLN 95 Cb 0.27 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.59 1log n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1log s THR 96 N 4.16 3.41 0.00 5.09 2.01 -1.11 -4.71 115.64 124.49 1log s THR 96 Ca 0.00 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1log s THR 96 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1log s THR 96 CO 0.00 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1log n GLY 97 N 0.69 0.41 7.00 4.40 0.00 -1.26 -0.89 105.19 115.54 1log n GLY 97 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1log n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1log n GLY 98 N 5.00 2.36 0.23 -0.02 0.00 -1.26 -1.78 105.19 109.71 1log n GLY 98 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1log n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1log h GLY 99 N 0.00 0.00 -0.14 -0.02 0.00 -1.94 -2.08 103.07 98.89 1log h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1log h GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1log n TYR 100 N -2.33 0.10 -1.23 5.60 4.01 -0.73 -4.94 117.16 117.64 1log n TYR 100 Ca -0.01 -0.05 -0.11 0.00 -0.16 0.00 0.00 57.90 57.57 1log n TYR 100 Cb 0.39 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1log n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1log n LEU 101 N -0.21 -0.63 0.00 7.72 4.77 -0.78 -2.23 117.00 125.65 1log n LEU 101 Ca 0.16 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1log n LEU 101 Cb 0.21 -1.98 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 1log n LEU 101 CO 0.12 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1log n GLY 102 N -0.05 0.87 0.00 -0.72 0.00 -0.06 -4.86 105.19 100.36 1log n GLY 102 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1log n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1log n VAL 103 N -2.13 0.00 -4.48 1.61 0.24 -0.95 -1.20 118.33 111.43 1log n VAL 103 Ca 0.00 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 1log n VAL 103 Cb 0.00 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 32.72 1log n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1log s PHE 104 N -1.14 1.86 0.00 6.34 0.08 -0.98 -4.79 117.98 119.34 1log s PHE 104 Ca 0.00 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 55.94 1log s PHE 104 Cb 0.00 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1log s PHE 104 CO 0.00 -0.14 0.10 0.09 -0.10 0.00 0.00 175.22 175.18 1log n ASN 105 N -0.97 0.20 -3.47 1.36 3.02 -1.26 -2.74 115.26 111.41 1log n ASN 105 Ca -0.04 -0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 1log n ASN 105 Cb 0.66 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 40.10 1log n ASN 105 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1log s SER 106 N -0.30 -0.50 0.32 6.41 1.04 -1.26 -5.00 113.70 114.41 1log s SER 106 Ca 0.00 -0.04 0.24 0.00 0.48 0.00 0.00 55.95 56.63 1log s SER 106 Cb 0.00 0.55 0.47 0.00 0.10 0.00 0.00 66.02 67.15 1log s SER 106 CO 0.00 -0.90 1.60 0.07 0.98 0.00 0.00 173.24 174.99 1log h LYS 107 N 2.00 0.00 -6.85 4.02 2.10 -1.95 -2.50 116.57 113.39 1log h LYS 107 Ca -0.30 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.87 1log h LYS 107 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1log h LYS 107 CO 0.35 0.00 0.33 -0.51 -2.00 0.00 0.00 179.45 177.62 1log s ASP 108 N -5.42 7.35 0.08 7.07 1.01 -1.26 -4.48 116.67 121.01 1log s ASP 108 Ca 0.08 1.82 -0.32 0.00 0.71 0.00 0.00 52.55 54.83 1log s ASP 108 Cb 0.08 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.33 1log s ASP 108 CO 0.66 -0.04 1.80 0.00 0.21 0.00 0.00 175.17 177.80 1log n TYR 109 N 0.67 2.47 -3.91 4.23 9.36 -1.26 -4.69 117.16 124.02 1log n TYR 109 Ca 0.01 -0.03 -0.30 0.00 3.32 0.00 0.00 57.90 60.90 1log n TYR 109 Cb 0.50 -2.68 -0.16 0.00 -0.63 0.00 0.00 39.34 36.38 1log n TYR 109 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1log s ASP 110 N 2.73 3.81 0.53 2.98 2.15 -0.41 -4.98 116.67 123.48 1log s ASP 110 Ca 0.84 -1.21 0.29 0.00 0.43 0.00 0.00 52.55 52.90 1log s ASP 110 Cb -0.58 -1.12 1.46 0.00 -0.30 0.00 0.00 42.92 42.38 1log s ASP 110 CO 0.41 -0.26 2.06 0.07 -0.17 0.00 0.00 175.17 177.28 1log h LYS 111 N 7.98 0.00 0.00 4.34 2.10 -1.94 -1.80 116.57 127.25 1log h LYS 111 Ca -0.17 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 1log h LYS 111 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1log h LYS 111 CO 0.41 0.11 -0.08 1.15 -2.00 0.00 0.00 179.45 179.04 1log h THR 112 N 0.00 0.37 -0.25 0.07 2.02 -1.95 -3.19 112.91 109.98 1log h THR 112 Ca -0.00 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1log h THR 112 Cb 0.38 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1log h THR 112 CO 0.01 0.08 0.05 -1.28 0.37 0.00 0.00 175.52 174.76 1log h SER 113 N 0.00 0.38 -6.29 4.18 0.87 -1.67 -3.47 113.55 107.56 1log h SER 113 Ca -0.00 -0.24 -0.47 0.00 -1.23 0.00 0.00 61.79 59.85 1log h SER 113 Cb 0.33 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1log h SER 113 CO 0.01 0.52 -0.80 0.00 -0.53 0.00 0.00 176.83 176.03 1log n GLN 114 N -4.71 -4.88 -4.04 2.24 6.02 -1.21 -4.76 117.38 106.05 1log n GLN 114 Ca -0.03 0.56 -0.22 0.00 -0.01 0.00 0.00 57.00 57.31 1log n GLN 114 Cb 0.19 -5.24 -0.17 0.00 1.02 0.00 0.00 30.24 26.03 1log n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1log s THR 115 N -3.50 0.56 -0.03 5.09 2.01 -1.26 -3.86 115.64 114.65 1log s THR 115 Ca 0.38 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1log s THR 115 Cb -0.19 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1log s THR 115 CO 0.84 0.25 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.23 1log s VAL 116 N 1.30 3.36 -0.04 3.82 1.01 -0.75 -1.39 120.40 127.70 1log s VAL 116 Ca -0.05 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1log s VAL 116 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1log s VAL 116 CO -0.02 0.50 0.18 0.00 0.00 0.00 0.00 175.10 175.76 1log s ALA 117 N -0.86 -0.44 -0.27 5.51 0.00 -0.18 -1.03 121.76 124.49 1log s ALA 117 Ca 0.14 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 1log s ALA 117 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1log s ALA 117 CO 0.03 -0.14 0.13 0.08 0.00 0.00 0.00 175.76 175.87 1log s VAL 118 N -0.47 4.78 0.13 0.00 1.01 -0.20 -0.93 120.40 124.71 1log s VAL 118 Ca -0.06 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1log s VAL 118 Cb -0.04 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1log s VAL 118 CO 0.01 0.26 -0.03 -1.83 0.00 0.00 0.00 175.10 173.51 1log s GLU 119 N 1.68 2.35 -0.45 2.72 -1.05 -0.14 -1.47 118.70 122.35 1log s GLU 119 Ca 0.06 -1.00 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 1log s GLU 119 Cb -0.16 -2.39 0.13 0.00 -0.44 0.00 0.00 34.13 31.27 1log s GLU 119 CO 0.07 0.50 0.21 -0.06 0.95 0.00 0.00 175.26 176.93 1log s PHE 120 N -1.44 2.62 -0.26 4.83 0.08 0.54 -1.08 117.98 123.27 1log s PHE 120 Ca 0.25 -2.72 -0.10 0.00 0.12 0.00 0.00 56.93 54.48 1log s PHE 120 Cb -0.11 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 1log s PHE 120 CO 0.17 -0.79 0.15 0.34 -0.10 0.00 0.00 175.22 174.99 1log s ASP 121 N 0.27 5.91 0.00 1.36 -1.08 -0.47 -0.56 116.67 122.10 1log s ASP 121 Ca 0.16 0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.35 1log s ASP 121 Cb -0.24 -2.08 0.06 0.00 -1.46 0.00 0.00 42.92 39.20 1log s ASP 121 CO -0.03 0.01 0.88 0.35 0.52 0.00 0.00 175.17 176.90 1log n THR 122 N 4.67 0.00 -4.48 1.71 -2.24 -0.21 -1.82 114.28 111.91 1log n THR 122 Ca -0.15 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 60.98 1log n THR 122 Cb 0.52 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 1log n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1log s PHE 123 N -1.47 1.14 -0.25 4.78 5.36 -1.22 -4.62 117.98 121.70 1log s PHE 123 Ca 0.15 -0.32 -0.29 0.00 -0.96 0.00 0.00 56.93 55.51 1log s PHE 123 Cb 0.12 -0.81 0.01 0.00 -0.34 0.00 0.00 43.02 42.00 1log s PHE 123 CO 0.27 -0.14 1.04 -0.47 -1.46 0.00 0.00 175.22 174.46 1log s TYR 124 N 0.26 3.29 -0.22 10.12 5.04 -1.26 -5.02 117.35 129.56 1log s TYR 124 Ca -0.05 1.38 -0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1log s TYR 124 Cb -0.10 -3.37 0.02 0.00 0.35 0.00 0.00 41.96 38.86 1log s TYR 124 CO 0.01 -0.55 -0.11 -0.80 -1.34 0.00 0.00 175.55 172.76 1log s ASN 125 N 1.32 3.93 0.37 4.32 -0.87 -1.26 -5.01 114.94 117.75 1log s ASN 125 Ca 0.44 -0.78 0.08 0.00 -1.57 0.00 0.00 52.86 51.03 1log s ASN 125 Cb -0.14 -1.60 0.71 0.00 -0.02 0.00 0.00 41.25 40.20 1log s ASN 125 CO 0.08 -0.07 1.89 0.71 -2.57 0.00 0.00 177.10 177.14 1log h THR 126 N 6.07 1.19 0.00 1.60 1.35 -1.95 -0.55 112.91 120.61 1log h THR 126 Ca -0.37 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1log h THR 126 Cb 1.12 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1log h THR 126 CO 0.59 0.26 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 1log h ALA 127 N 1.59 1.00 0.00 6.62 0.00 -2.02 -3.38 119.26 123.07 1log h ALA 127 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1log h ALA 127 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1log h ALA 127 CO 0.02 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.60 1log n TRP 128 N -2.64 0.00 -1.73 0.00 2.14 -1.12 -5.06 117.44 109.04 1log n TRP 128 Ca -0.00 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.26 1log n TRP 128 Cb 0.17 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.72 1log n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1log s ASP 129 N -0.02 5.33 0.17 -0.67 1.01 -0.23 -4.73 116.67 117.52 1log s ASP 129 Ca 0.00 1.34 -0.34 0.00 0.71 0.00 0.00 52.55 54.26 1log s ASP 129 Cb 0.00 -2.19 -0.15 0.00 1.01 0.00 0.00 42.92 41.60 1log s ASP 129 CO 0.00 -1.44 1.43 -2.65 0.21 0.00 0.00 175.17 172.72 1log n PRO 130 N -3.10 1.77 0.25 8.23 -0.02 -1.26 -4.86 135.00 136.01 1log n PRO 130 Ca 0.07 0.64 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 1log n PRO 130 Cb 0.56 -2.31 0.76 0.00 -0.02 0.00 0.00 33.50 32.48 1log n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1log h SER 131 N 4.86 0.00 0.15 2.55 4.64 -1.94 -0.54 113.55 123.27 1log h SER 131 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1log h SER 131 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1log h SER 131 CO 0.81 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.31 1log n ASN 132 N -2.80 0.56 0.00 4.97 0.23 -1.26 -4.85 115.26 112.11 1log n ASN 132 Ca -0.00 0.73 0.00 0.00 -0.53 0.00 0.00 54.58 54.78 1log n ASN 132 Cb 0.20 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.09 1log n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1log n GLY 133 N -1.04 1.91 3.78 4.83 0.00 -0.21 -5.00 105.19 109.47 1log n GLY 133 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1log n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1log s ASP 134 N -3.43 5.00 0.37 1.61 1.01 -1.26 -4.66 116.67 115.30 1log s ASP 134 Ca 0.00 1.84 -0.26 0.00 0.71 0.00 0.00 52.55 54.84 1log s ASP 134 Cb 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 1log s ASP 134 CO 0.00 -1.70 1.13 -0.13 0.21 0.00 0.00 175.17 174.68 1log s ARG 135 N -4.56 4.24 0.04 8.23 3.00 -1.26 -4.84 118.95 123.80 1log s ARG 135 Ca 0.63 1.76 -0.24 0.00 0.00 0.00 0.00 55.73 57.88 1log s ARG 135 Cb -0.18 -2.79 0.06 0.00 0.00 0.00 0.00 34.95 32.04 1log s ARG 135 CO 0.49 -0.13 0.56 -3.38 0.00 0.00 0.00 175.30 172.84 1log s HIS 136 N -1.40 -0.49 0.07 -0.53 -3.43 -0.75 -0.35 115.29 108.41 1log s HIS 136 Ca 0.54 0.59 -0.19 0.00 -0.80 0.00 0.00 55.06 55.20 1log s HIS 136 Cb -0.29 0.38 -0.07 0.00 -1.43 0.00 0.00 32.58 31.17 1log s HIS 136 CO 0.37 -0.66 0.56 0.42 -2.00 0.00 0.00 174.74 173.44 1log s ILE 137 N -2.32 4.75 0.07 -5.38 1.01 0.11 -1.37 121.20 118.07 1log s ILE 137 Ca -0.06 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.71 1log s ILE 137 Cb -0.01 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 1log s ILE 137 CO -0.01 0.56 0.18 -0.83 0.00 0.00 0.00 174.94 174.84 1log s GLY 138 N -1.10 0.08 -0.15 6.18 0.00 -0.24 -0.60 107.32 111.48 1log s GLY 138 Ca 0.29 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 1log s GLY 138 CO 0.19 -0.70 -0.10 -0.42 0.00 0.00 0.00 173.10 172.07 1log s ILE 139 N -3.41 3.27 -0.09 0.90 1.01 -0.55 -0.96 121.20 121.38 1log s ILE 139 Ca 0.01 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1log s ILE 139 Cb 0.03 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 1log s ILE 139 CO -0.08 0.50 -0.24 -1.81 0.00 0.00 0.00 174.94 173.31 1log s ASP 140 N 0.58 3.14 -0.15 3.58 1.01 -0.11 -0.18 116.67 124.54 1log s ASP 140 Ca -0.06 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 52.66 1log s ASP 140 Cb -0.15 -1.22 0.04 0.00 1.01 0.00 0.00 42.92 42.60 1log s ASP 140 CO 0.03 0.19 -0.01 0.68 0.21 0.00 0.00 175.17 176.27 1log s VAL 141 N 0.16 0.74 -1.60 -1.27 -7.23 -1.26 -1.02 120.40 108.93 1log s VAL 141 Ca -0.13 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1log s VAL 141 Cb -0.16 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1log s VAL 141 CO 0.07 0.04 0.00 0.59 -0.31 0.00 0.00 175.10 175.49 1log n ASN 142 N 5.00 -5.24 -3.61 4.85 3.02 -0.49 -4.86 115.26 113.93 1log n ASN 142 Ca -0.10 0.06 -0.06 0.00 -0.03 0.00 0.00 54.58 54.45 1log n ASN 142 Cb 0.48 -4.31 -0.05 0.00 -0.61 0.00 0.00 39.78 35.29 1log n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1log s SER 143 N -2.29 -0.20 0.17 6.41 0.15 -1.26 -1.28 113.70 115.40 1log s SER 143 Ca 0.00 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.13 1log s SER 143 Cb 0.00 0.17 0.82 0.00 -1.71 0.00 0.00 66.02 65.30 1log s SER 143 CO 0.00 -0.19 1.75 0.00 1.20 0.00 0.00 173.24 176.00 1log n ILE 144 N 0.62 0.49 -2.78 6.45 0.13 -0.94 -4.56 119.36 118.77 1log n ILE 144 Ca -0.05 -0.24 -0.43 0.00 -1.10 0.00 0.00 62.75 60.93 1log n ILE 144 Cb 0.58 -0.52 -0.04 0.00 -0.84 0.00 0.00 39.64 38.82 1log n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1log s LYS 145 N -3.09 3.39 0.51 9.51 2.20 -1.26 -4.92 119.74 126.07 1log s LYS 145 Ca 0.11 -0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.37 1log s LYS 145 Cb 0.13 -4.03 -0.07 0.00 -1.51 0.00 0.00 37.83 32.35 1log s LYS 145 CO 0.60 -1.50 1.25 0.43 -0.36 0.00 0.00 175.35 175.77 1log n SER 146 N 7.63 2.25 0.18 1.43 7.64 -1.26 -4.78 113.62 126.72 1log n SER 146 Ca 0.04 1.00 0.05 0.00 1.01 0.00 0.00 58.87 60.96 1log n SER 146 Cb 0.48 -1.51 0.31 0.00 -1.01 0.00 0.00 64.21 62.48 1log n SER 146 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1log h ILE 147 N 1.50 0.92 -1.95 0.44 3.07 -0.94 -3.46 117.51 117.09 1log h ILE 147 Ca -0.49 -1.60 -0.03 0.00 1.55 0.00 0.00 64.86 64.28 1log h ILE 147 Cb 1.31 1.97 -0.21 0.00 -0.27 0.00 0.00 36.82 39.63 1log h ILE 147 CO 0.57 0.39 0.20 0.21 -1.05 0.00 0.00 178.15 178.47 1log s ASN 148 N -6.46 -0.67 0.04 2.16 3.04 -1.24 -5.00 114.94 106.81 1log s ASN 148 Ca 0.00 1.04 0.01 0.00 0.04 0.00 0.00 52.86 53.96 1log s ASN 148 Cb 0.11 0.97 -0.03 0.00 -1.54 0.00 0.00 41.25 40.77 1log s ASN 148 CO 0.69 -0.40 -0.06 0.42 -3.04 0.00 0.00 177.10 174.71 1log s THR 149 N -0.37 0.43 -0.05 -5.21 -4.23 -1.26 -1.48 115.64 103.46 1log s THR 149 Ca -0.04 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1log s THR 149 Cb -0.03 -0.67 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 1log s THR 149 CO 0.04 -0.49 -0.19 -0.75 -0.54 0.00 0.00 174.62 172.69 1log s LYS 150 N -1.89 2.03 0.29 3.99 2.20 0.23 -4.96 119.74 121.64 1log s LYS 150 Ca -0.09 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 1log s LYS 150 Cb -0.08 -1.72 -0.10 0.00 -1.51 0.00 0.00 37.83 34.42 1log s LYS 150 CO -0.01 0.24 1.34 -1.12 -0.36 0.00 0.00 175.35 175.45 1log s SER 151 N 0.09 6.76 -0.01 1.43 0.01 -1.26 -0.71 113.70 120.00 1log s SER 151 Ca -0.06 2.65 0.02 0.00 1.31 0.00 0.00 55.95 59.86 1log s SER 151 Cb -0.13 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 1log s SER 151 CO 0.03 -0.58 -0.07 0.86 0.41 0.00 0.00 173.24 173.90 1log s TRP 152 N -0.67 0.60 -0.30 2.43 -0.00 0.53 -4.84 118.94 116.69 1log s TRP 152 Ca 0.53 -0.11 -0.14 0.00 -0.00 0.00 0.00 56.10 56.37 1log s TRP 152 Cb -0.40 -0.39 -0.03 0.00 -0.00 0.00 0.00 33.47 32.65 1log s TRP 152 CO 0.48 -0.01 0.32 0.00 -0.00 0.00 0.00 176.95 177.74 1log s ALA 153 N -0.15 3.53 0.50 5.86 0.00 -1.26 -4.21 121.76 126.04 1log s ALA 153 Ca 0.02 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 1log s ALA 153 Cb -0.03 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 1log s ALA 153 CO -0.00 -0.80 1.23 -1.17 0.00 0.00 0.00 175.76 175.02 1log s LEU 154 N 1.97 3.91 -0.29 0.00 0.20 -1.26 -4.99 118.68 118.22 1log s LEU 154 Ca 0.12 2.46 0.03 0.00 0.69 0.00 0.00 54.13 57.43 1log s LEU 154 Cb -0.16 -4.30 0.08 0.00 -0.43 0.00 0.00 46.19 41.37 1log s LEU 154 CO 0.11 -1.21 -0.04 -1.10 -0.29 0.00 0.00 176.35 173.82 1log s GLN 155 N -2.85 1.93 0.10 1.98 -0.21 -1.26 -5.08 119.66 114.28 1log s GLN 155 Ca 0.68 -1.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.18 1log s GLN 155 Cb -0.32 -3.03 -0.10 0.00 1.00 0.00 0.00 33.01 30.56 1log s GLN 155 CO 0.38 -0.72 1.88 -1.71 -2.12 0.00 0.00 175.29 173.00 1log n ASN 156 N 4.36 4.08 0.00 5.90 4.05 -1.26 -1.76 115.26 130.63 1log n ASN 156 Ca -0.07 0.97 0.00 0.00 0.45 0.00 0.00 54.58 55.93 1log n ASN 156 Cb 0.42 -1.54 0.00 0.00 1.23 0.00 0.00 39.78 39.89 1log n ASN 156 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1log n GLY 157 N 4.32 0.69 3.88 8.20 0.00 0.03 -5.00 105.19 117.30 1log n GLY 157 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1log n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1log s LYS 158 N -0.23 3.62 0.04 1.61 -0.14 -0.72 -4.91 119.74 119.00 1log s LYS 158 Ca 0.00 0.00 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 1log s LYS 158 Cb 0.00 -3.10 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1log s LYS 158 CO 0.00 0.66 1.32 -1.21 -0.76 0.00 0.00 175.35 175.36 1log s GLU 159 N -1.58 4.34 -0.10 1.68 2.02 -1.26 -4.48 118.70 119.32 1log s GLU 159 Ca 0.26 1.90 -0.03 0.00 0.02 0.00 0.00 54.97 57.11 1log s GLU 159 Cb -0.14 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1log s GLU 159 CO 0.14 -0.44 0.04 0.00 0.02 0.00 0.00 175.26 175.02 1log s ALA 160 N 1.71 3.44 -0.21 5.21 0.00 -0.15 -4.47 121.76 127.30 1log s ALA 160 Ca 0.61 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1log s ALA 160 Cb -0.31 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1log s ALA 160 CO 0.27 0.57 0.01 -0.80 0.00 0.00 0.00 175.76 175.82 1log s ASN 161 N -0.83 4.93 0.03 0.00 0.01 0.59 -1.68 114.94 118.00 1log s ASN 161 Ca 0.13 -0.18 0.09 0.00 -0.71 0.00 0.00 52.86 52.19 1log s ASN 161 Cb -0.12 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 1log s ASN 161 CO 0.03 0.06 -0.26 -0.69 -1.51 0.00 0.00 177.10 174.72 1log s VAL 162 N 1.04 2.10 -0.09 1.60 1.01 -0.58 -0.87 120.40 124.60 1log s VAL 162 Ca 0.02 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1log s VAL 162 Cb -0.14 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1log s VAL 162 CO 0.02 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.74 1log s VAL 163 N -0.76 1.10 -0.10 2.92 1.01 -0.27 -1.86 120.40 122.43 1log s VAL 163 Ca 0.11 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1log s VAL 163 Cb -0.10 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1log s VAL 163 CO 0.01 0.37 -0.22 -0.63 0.00 0.00 0.00 175.10 174.63 1log s ILE 164 N 1.25 2.24 0.03 2.22 1.01 -0.40 -1.24 121.20 126.31 1log s ILE 164 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1log s ILE 164 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1log s ILE 164 CO -0.03 0.56 -0.06 0.00 0.00 0.00 0.00 174.94 175.40 1log s ALA 165 N 0.23 0.45 -0.06 9.38 0.00 -0.30 -1.40 121.76 130.07 1log s ALA 165 Ca -0.14 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1log s ALA 165 Cb -0.17 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1log s ALA 165 CO 0.07 -0.02 -0.12 0.12 0.00 0.00 0.00 175.76 175.82 1log s PHE 166 N -1.10 1.38 -0.43 0.00 5.36 0.43 -0.77 117.98 122.85 1log s PHE 166 Ca -0.08 -0.49 -0.09 0.00 -0.96 0.00 0.00 56.93 55.31 1log s PHE 166 Cb -0.08 -1.02 0.09 0.00 -0.34 0.00 0.00 43.02 41.67 1log s PHE 166 CO 0.00 -0.25 0.27 1.21 -1.46 0.00 0.00 175.22 174.99 1log s ASN 167 N 0.62 5.62 0.59 6.13 3.84 -0.56 -2.17 114.94 129.00 1log s ASN 167 Ca -0.13 -1.62 0.29 0.00 0.21 0.00 0.00 52.86 51.61 1log s ASN 167 Cb -0.15 -1.98 1.76 0.00 -0.55 0.00 0.00 41.25 40.33 1log s ASN 167 CO 0.03 -0.57 2.21 0.00 -2.79 0.00 0.00 177.10 175.99 1log h ALA 168 N 8.39 1.62 -0.08 1.71 0.00 -1.86 0.58 119.26 129.62 1log h ALA 168 Ca -0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1log h ALA 168 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1log h ALA 168 CO 0.77 -0.07 -0.42 0.00 0.00 0.00 0.00 179.25 179.53 1log h ALA 169 N 1.94 1.14 -0.00 0.00 0.00 -1.93 -3.27 119.26 117.14 1log h ALA 169 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1log h ALA 169 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1log h ALA 169 CO -0.00 0.58 -0.02 0.25 0.00 0.00 0.00 179.25 180.06 1log n THR 170 N -4.02 0.00 -2.54 0.00 -2.24 -0.95 -5.00 114.28 99.53 1log n THR 170 Ca -0.02 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1log n THR 170 Cb 0.48 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1log n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1log n ASN 171 N -0.15 -5.60 -4.68 3.42 3.02 0.16 -4.97 115.26 106.46 1log n ASN 171 Ca 0.01 -0.04 -0.35 0.00 -0.03 0.00 0.00 54.58 54.16 1log n ASN 171 Cb 0.05 -4.65 -0.09 0.00 -0.61 0.00 0.00 39.78 34.48 1log n ASN 171 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1log s VAL 172 N -3.00 5.24 -0.29 2.41 0.11 -1.20 -4.91 120.40 118.75 1log s VAL 172 Ca 0.06 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.13 1log s VAL 172 Cb -0.03 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1log s VAL 172 CO 0.08 0.41 0.22 -0.22 -3.33 0.00 0.00 175.10 172.26 1log s LEU 173 N 0.64 4.15 -0.09 2.54 2.96 -1.26 -1.50 118.68 126.11 1log s LEU 173 Ca 0.07 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1log s LEU 173 Cb -0.12 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1log s LEU 173 CO 0.01 -0.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.91 1log s THR 174 N 1.78 3.15 -0.03 3.68 2.01 0.05 -4.98 115.64 121.31 1log s THR 174 Ca 0.08 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.45 1log s THR 174 Cb -0.16 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 1log s THR 174 CO 0.11 0.56 -0.14 0.54 -0.69 0.00 0.00 174.62 175.00 1log s VAL 175 N -0.25 1.15 -0.11 3.82 0.11 -1.26 -1.14 120.40 122.71 1log s VAL 175 Ca 0.02 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1log s VAL 175 Cb -0.13 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1log s VAL 175 CO 0.03 0.34 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.56 1log s SER 176 N -0.03 2.08 -0.15 3.54 0.15 -0.37 -5.00 113.70 113.93 1log s SER 176 Ca -0.01 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1log s SER 176 Cb -0.09 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.58 1log s SER 176 CO 0.01 -0.19 -0.11 -0.22 1.20 0.00 0.00 173.24 173.93 1log s LEU 177 N 1.84 2.78 -0.06 3.45 1.98 -1.26 -1.12 118.68 126.29 1log s LEU 177 Ca 0.04 -0.33 0.02 0.00 -2.89 0.00 0.00 54.13 50.97 1log s LEU 177 Cb -0.13 -1.64 0.02 0.00 0.66 0.00 0.00 46.19 45.09 1log s LEU 177 CO -0.07 0.14 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.54 1log s THR 178 N 0.53 0.96 -0.40 3.68 2.01 -0.05 -4.97 115.64 117.41 1log s THR 178 Ca -0.08 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 1log s THR 178 Cb -0.15 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1log s THR 178 CO 0.04 0.32 0.30 -0.31 -0.69 0.00 0.00 174.62 174.28 1log s TYR 179 N 0.77 3.23 -2.00 4.92 2.02 -1.26 -0.30 117.35 124.73 1log s TYR 179 Ca -0.13 -0.48 0.21 0.00 -0.37 0.00 0.00 57.07 56.30 1log s TYR 179 Cb -0.15 -2.60 1.26 0.00 -0.40 0.00 0.00 41.96 40.07 1log s TYR 179 CO 0.02 -0.55 1.64 -0.35 -1.57 0.00 0.00 175.55 174.74