#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 1.43 0.02 -2.82 2.02 -1.26 -5.14 118.70 112.95 1log s GLU 2 Ca 0.00 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1log s GLU 2 Cb 0.00 -1.25 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 1log s GLU 2 CO 0.00 -0.03 -0.14 0.95 0.02 0.00 0.00 175.26 176.07 1log s THR 3 N 0.81 1.08 -0.04 3.63 -4.23 -1.26 -5.06 115.64 110.57 1log s THR 3 Ca -0.12 -0.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 1log s THR 3 Cb -0.15 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1log s THR 3 CO 0.02 0.10 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.11 1log s THR 4 N -0.66 1.65 -0.02 3.99 2.01 -1.26 -5.10 115.64 116.25 1log s THR 4 Ca 0.03 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1log s THR 4 Cb -0.07 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1log s THR 4 CO 0.01 0.47 0.31 -0.44 -0.69 0.00 0.00 174.62 174.27 1log s SER 5 N -0.21 -0.19 0.11 3.53 0.01 -1.26 -5.12 113.70 110.57 1log s SER 5 Ca 0.01 0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.15 1log s SER 5 Cb -0.11 0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1log s SER 5 CO 0.01 -0.43 0.55 0.72 0.41 0.00 0.00 173.24 174.51 1log s PHE 6 N -1.26 -0.47 -0.01 2.43 -0.71 -1.26 -5.17 117.98 111.54 1log s PHE 6 Ca -0.13 0.36 -0.02 0.00 -1.04 0.00 0.00 56.93 56.10 1log s PHE 6 Cb -0.05 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 1log s PHE 6 CO 0.04 -0.76 0.04 -1.54 -1.34 0.00 0.00 175.22 171.67 1log s SER 7 N -2.44 0.00 -0.27 1.98 1.04 -1.26 -5.11 113.70 107.64 1log s SER 7 Ca -0.01 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 1log s SER 7 Cb -0.00 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.30 1log s SER 7 CO -0.08 -0.09 0.03 -0.63 0.98 0.00 0.00 173.24 173.45 1log s ILE 8 N -0.32 1.16 -0.11 -1.02 1.01 -1.26 -5.02 121.20 115.64 1log s ILE 8 Ca -0.04 -1.27 0.14 0.00 0.00 0.00 0.00 60.65 59.49 1log s ILE 8 Cb -0.02 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1log s ILE 8 CO -0.00 -0.39 1.24 0.74 0.00 0.00 0.00 174.94 176.53 1log h THR 9 N 6.56 0.86 -2.44 2.92 2.02 -1.99 -3.45 112.91 117.40 1log h THR 9 Ca -0.14 -2.31 -0.07 0.00 0.77 0.00 0.00 66.41 64.66 1log h THR 9 Cb 1.05 2.37 -0.25 0.00 -1.74 0.00 0.00 68.15 69.58 1log h THR 9 CO 0.43 0.49 -0.26 -1.59 0.37 0.00 0.00 175.52 174.96 1log s LYS 10 N -2.91 0.43 0.44 6.66 0.00 -1.26 -5.09 119.74 118.00 1log s LYS 10 Ca 0.02 1.01 -0.22 0.00 0.00 0.00 0.00 55.97 56.78 1log s LYS 10 Cb 0.08 0.22 -0.10 0.00 0.00 0.00 0.00 37.83 38.03 1log s LYS 10 CO 0.77 -0.19 1.00 -0.06 0.00 0.00 0.00 175.35 176.87 1log s PHE 11 N 2.02 3.22 0.48 1.78 0.40 -0.70 -5.02 117.98 120.16 1log s PHE 11 Ca -0.06 1.62 0.07 0.00 -0.60 0.00 0.00 56.93 57.95 1log s PHE 11 Cb -0.10 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1log s PHE 11 CO -0.14 -0.45 0.36 0.20 0.70 0.00 0.00 175.22 175.89 1log s GLY 12 N -1.94 2.28 0.44 4.36 0.00 -1.26 -3.71 107.32 107.49 1log s GLY 12 Ca 0.62 -1.63 0.22 0.00 0.00 0.00 0.00 44.72 43.93 1log s GLY 12 CO 0.19 -1.85 1.88 -0.56 0.00 0.00 0.00 173.10 172.76 1log h PRO 13 N 0.95 0.00 -2.98 2.90 0.13 -1.97 -3.34 132.00 127.70 1log h PRO 13 Ca -0.39 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 1log h PRO 13 Cb 1.28 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.01 1log h PRO 13 CO 0.59 0.25 -0.70 0.34 -0.23 0.00 0.00 178.00 178.26 1log s ASP 14 N -6.36 3.84 -1.10 1.44 2.15 -1.26 -4.86 116.67 110.52 1log s ASP 14 Ca -0.01 -3.27 -0.13 0.00 0.43 0.00 0.00 52.55 49.57 1log s ASP 14 Cb 0.12 -1.27 0.21 0.00 -0.30 0.00 0.00 42.92 41.69 1log s ASP 14 CO 0.65 -0.17 1.21 -1.58 -0.17 0.00 0.00 175.17 175.11 1log s GLN 15 N -0.54 4.03 0.26 4.34 2.00 -1.25 -4.86 119.66 123.63 1log s GLN 15 Ca 0.23 -2.72 0.21 0.00 -2.00 0.00 0.00 55.36 51.08 1log s GLN 15 Cb -0.11 -4.79 0.99 0.00 0.80 0.00 0.00 33.01 29.89 1log s GLN 15 CO -0.10 -1.52 1.65 1.04 -0.50 0.00 0.00 175.29 175.86 1log n GLN 16 N 4.46 0.16 -0.36 1.67 6.02 -1.26 -1.96 117.38 126.10 1log n GLN 16 Ca 0.28 0.49 0.04 0.00 -0.01 0.00 0.00 57.00 57.80 1log n GLN 16 Cb 0.43 -1.87 0.18 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.18 2.87 -4.35 1.08 6.94 -1.26 -4.82 115.26 113.53 1log n ASN 17 Ca 0.01 -2.32 -0.24 0.00 -0.02 0.00 0.00 54.58 52.01 1log n ASN 17 Cb 0.15 -0.49 -0.12 0.00 -2.36 0.00 0.00 39.78 36.97 1log n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1log s LEU 18 N -1.23 2.41 -0.16 -4.53 1.43 -0.83 -0.93 118.68 114.83 1log s LEU 18 Ca 0.25 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1log s LEU 18 Cb 0.18 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1log s LEU 18 CO 0.10 0.04 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1log s ILE 19 N -1.73 3.31 -0.11 -0.59 1.01 -0.19 -4.80 121.20 118.10 1log s ILE 19 Ca 0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1log s ILE 19 Cb -0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1log s ILE 19 CO 0.07 0.49 0.07 -0.36 0.00 0.00 0.00 174.94 175.20 1log s PHE 20 N 0.73 3.36 0.11 3.97 0.08 -1.26 -1.04 117.98 123.93 1log s PHE 20 Ca -0.04 0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.40 1log s PHE 20 Cb -0.15 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1log s PHE 20 CO 0.02 0.57 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.92 1log s GLN 21 N -0.86 0.95 7.65 0.44 -0.21 0.20 -4.97 119.66 122.87 1log s GLN 21 Ca 0.13 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.36 1log s GLN 21 Cb -0.12 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 33.03 1log s GLN 21 CO 0.03 0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 1log n GLY 22 N 0.76 3.07 0.88 3.09 0.00 -1.26 -0.51 105.19 111.21 1log n GLY 22 Ca -0.17 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 5.65 2.65 -4.77 1.61 9.92 0.87 -4.90 116.55 127.58 1log n ASP 23 Ca 0.00 -1.86 -0.40 0.00 -0.53 0.00 0.00 54.79 52.00 1log n ASP 23 Cb 0.00 -0.14 -0.01 0.00 -0.64 0.00 0.00 41.12 40.33 1log n ASP 23 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1log s GLY 24 N -1.63 2.93 0.30 0.44 0.00 -1.01 -4.82 107.32 103.53 1log s GLY 24 Ca 0.35 1.25 -0.18 0.00 0.00 0.00 0.00 44.72 46.13 1log s GLY 24 CO 0.30 1.84 0.90 -2.52 0.00 0.00 0.00 173.10 173.62 1log s TYR 25 N -1.25 0.10 -0.08 1.90 1.13 -0.54 -4.67 117.35 113.94 1log s TYR 25 Ca 0.56 -0.67 0.03 0.00 -1.41 0.00 0.00 57.07 55.58 1log s TYR 25 Cb -0.38 0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1log s TYR 25 CO 0.50 -1.30 -0.17 0.95 -2.51 0.00 0.00 175.55 173.02 1log s THR 26 N -2.22 2.81 -0.01 -3.49 -4.23 -1.26 0.18 115.64 107.41 1log s THR 26 Ca 0.18 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1log s THR 26 Cb -0.04 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.69 1log s THR 26 CO 0.09 0.56 0.03 0.28 -0.54 0.00 0.00 174.62 175.05 1log s THR 27 N -0.23 -0.00 -1.41 3.99 -1.32 0.00 -4.83 115.64 111.85 1log s THR 27 Ca 0.00 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.38 1log s THR 27 Cb -0.13 -0.06 0.01 0.00 -1.51 0.00 0.00 72.50 70.81 1log s THR 27 CO 0.03 0.00 0.31 0.29 -2.21 0.00 0.00 174.62 173.04 1log n LYS 28 N 3.10 -1.16 -0.87 7.08 5.02 -1.26 -0.74 118.16 129.33 1log n LYS 28 Ca -0.13 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1log n LYS 28 Cb 0.59 -3.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 1log n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1log n GLU 29 N -4.67 -0.56 -4.40 1.97 4.71 -1.24 -4.99 120.64 111.46 1log n GLU 29 Ca -0.25 0.14 -0.30 0.00 -0.01 0.00 0.00 57.16 56.74 1log n GLU 29 Cb 0.65 -3.84 -0.12 0.00 -1.01 0.00 0.00 31.44 27.13 1log n GLU 29 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1log s ARG 30 N -0.82 1.92 -0.28 3.49 0.52 0.08 -1.72 118.95 122.14 1log s ARG 30 Ca 0.00 -1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.89 1log s ARG 30 Cb 0.00 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1log s ARG 30 CO 0.00 0.50 0.73 -1.17 0.02 0.00 0.00 175.30 175.38 1log s LEU 31 N -1.94 4.09 -0.29 2.53 2.96 -1.26 -0.82 118.68 123.95 1log s LEU 31 Ca 0.17 0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 54.66 1log s LEU 31 Cb -0.11 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1log s LEU 31 CO 0.09 -0.52 0.24 -0.89 -1.32 0.00 0.00 176.35 173.95 1log s THR 32 N 2.77 5.28 -0.14 3.68 2.01 0.13 -4.96 115.64 124.41 1log s THR 32 Ca 0.30 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 1log s THR 32 Cb -0.15 -3.60 -0.25 0.00 0.01 0.00 0.00 72.50 68.52 1log s THR 32 CO 0.10 0.19 0.43 -0.07 -0.69 0.00 0.00 174.62 174.58 1log h LEU 33 N 8.44 0.28 -8.04 4.42 -0.00 -1.88 -1.44 115.31 117.09 1log h LEU 33 Ca -0.34 -0.79 -0.19 0.00 -0.00 0.00 0.00 57.88 56.56 1log h LEU 33 Cb 1.18 -0.09 -0.21 0.00 -0.00 0.00 0.00 40.66 41.54 1log h LEU 33 CO 0.58 1.62 -0.71 0.42 -0.00 0.00 0.00 178.44 180.36 1log s THR 34 N -2.46 0.21 0.75 0.22 -4.23 -1.26 -3.28 115.64 105.60 1log s THR 34 Ca -0.23 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1log s THR 34 Cb 0.05 -0.42 0.12 0.00 1.34 0.00 0.00 72.50 73.59 1log s THR 34 CO 0.72 -0.51 1.04 -0.54 -0.54 0.00 0.00 174.62 174.79 1log s LYS 35 N -1.65 1.64 -1.34 3.99 1.02 -1.26 -4.95 119.74 117.19 1log s LYS 35 Ca -0.13 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 1log s LYS 35 Cb -0.09 -2.23 0.10 0.00 -0.52 0.00 0.00 37.83 35.09 1log s LYS 35 CO -0.01 -1.53 1.92 0.00 -0.92 0.00 0.00 175.35 174.80 1log n ALA 36 N -2.98 4.87 -2.77 5.17 0.00 -1.26 -4.85 120.51 118.70 1log n ALA 36 Ca 0.13 -4.06 -0.11 0.00 0.00 0.00 0.00 53.44 49.40 1log n ALA 36 Cb 0.60 -3.31 -0.11 0.00 0.00 0.00 0.00 19.45 16.63 1log n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1log s VAL 37 N 2.30 0.40 0.46 0.00 0.11 -1.26 -5.09 120.40 117.32 1log s VAL 37 Ca 0.45 -1.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.14 1log s VAL 37 Cb 0.08 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 34.16 1log s VAL 37 CO -0.02 -0.51 0.98 -0.13 -3.33 0.00 0.00 175.10 172.09 1log s ARG 38 N -1.93 4.08 -1.34 1.54 0.52 -1.26 -4.45 118.95 116.10 1log s ARG 38 Ca -0.08 1.16 -0.06 0.00 -0.52 0.00 0.00 55.73 56.22 1log s ARG 38 Cb -0.07 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1log s ARG 38 CO -0.01 -0.17 0.50 0.09 0.02 0.00 0.00 175.30 175.72 1log n ASN 39 N -0.86 -1.52 -4.47 0.23 3.02 -1.26 -5.01 115.26 105.40 1log n ASN 39 Ca 0.07 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.36 1log n ASN 39 Cb 0.54 -3.00 -0.11 0.00 -0.61 0.00 0.00 39.78 36.61 1log n ASN 39 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1log s THR 40 N -3.85 1.29 0.01 3.41 -4.23 -1.26 -5.04 115.64 105.97 1log s THR 40 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1log s THR 40 Cb -0.05 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 1log s THR 40 CO 0.89 0.00 -0.02 0.54 -0.54 0.00 0.00 174.62 175.49 1log s VAL 41 N -3.20 0.08 -0.04 2.29 0.11 -1.26 -4.73 120.40 113.65 1log s VAL 41 Ca 0.36 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1log s VAL 41 Cb 0.09 -0.16 0.03 0.00 -1.53 0.00 0.00 36.38 34.81 1log s VAL 41 CO 0.16 -0.24 0.10 -0.83 -3.33 0.00 0.00 175.10 170.96 1log s GLY 42 N -0.72 0.01 0.04 6.54 0.00 -1.20 -0.09 107.32 111.89 1log s GLY 42 Ca -0.08 0.48 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1log s GLY 42 CO -0.00 0.77 -0.06 0.50 0.00 0.00 0.00 173.10 174.30 1log s ARG 43 N 0.96 0.48 -0.03 2.90 0.52 0.33 -4.76 118.95 119.36 1log s ARG 43 Ca -0.08 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1log s ARG 43 Cb -0.10 -0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.26 1log s ARG 43 CO -0.04 0.01 0.06 0.00 0.02 0.00 0.00 175.30 175.35 1log s ALA 44 N -1.66 -0.02 0.08 2.13 0.00 -1.26 -0.63 121.76 120.40 1log s ALA 44 Ca -0.10 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1log s ALA 44 Cb -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1log s ALA 44 CO -0.01 -0.12 -0.22 -0.51 0.00 0.00 0.00 175.76 174.90 1log s LEU 45 N 1.09 2.48 0.28 0.00 1.43 -0.20 -4.94 118.68 118.81 1log s LEU 45 Ca -0.09 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1log s LEU 45 Cb -0.12 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1log s LEU 45 CO -0.04 0.22 1.17 -0.47 0.23 0.00 0.00 176.35 177.46 1log s TYR 46 N -0.98 3.41 0.25 0.29 5.04 -1.26 -1.02 117.35 123.07 1log s TYR 46 Ca 0.15 1.58 0.21 0.00 -2.44 0.00 0.00 57.07 56.56 1log s TYR 46 Cb -0.10 -3.42 0.90 0.00 0.35 0.00 0.00 41.96 39.69 1log s TYR 46 CO 0.06 -1.01 1.84 0.66 -1.34 0.00 0.00 175.55 175.76 1log h SER 47 N 3.89 0.00 -3.46 4.32 4.64 -1.35 -3.44 113.55 118.15 1log h SER 47 Ca -0.47 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.31 1log h SER 47 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1log h SER 47 CO 0.68 0.29 0.24 -0.55 -0.87 0.00 0.00 176.83 176.61 1log s SER 48 N -6.40 7.30 0.44 4.97 0.15 -1.26 -5.04 113.70 113.85 1log s SER 48 Ca -0.01 1.55 -0.24 0.00 0.70 0.00 0.00 55.95 57.95 1log s SER 48 Cb 0.12 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.82 1log s SER 48 CO 0.66 -0.04 1.08 -2.65 1.20 0.00 0.00 173.24 173.49 1log n PRO 49 N 2.97 1.47 -5.03 5.44 -0.02 -1.26 -5.03 135.00 133.55 1log n PRO 49 Ca -0.00 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 1log n PRO 49 Cb 0.50 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 1log n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1log s ILE 50 N -1.27 2.60 -0.58 4.25 1.01 -1.26 -5.08 121.20 120.87 1log s ILE 50 Ca 0.64 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 1log s ILE 50 Cb -0.53 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 39.99 1log s ILE 50 CO 0.56 0.56 0.86 -2.28 0.00 0.00 0.00 174.94 174.65 1log s HIS 51 N -0.17 2.83 -0.15 3.97 2.46 -1.26 -4.89 115.29 118.08 1log s HIS 51 Ca -0.02 -0.35 0.22 0.00 0.47 0.00 0.00 55.06 55.38 1log s HIS 51 Cb -0.14 -4.01 -0.15 0.00 -0.13 0.00 0.00 32.58 28.16 1log s HIS 51 CO 0.03 -1.36 0.79 1.51 -2.47 0.00 0.00 174.74 173.24 1log n ILE 52 N 5.94 0.41 -3.66 0.89 0.13 -1.26 -4.79 119.36 117.02 1log n ILE 52 Ca -0.03 -0.54 -0.09 0.00 -1.10 0.00 0.00 62.75 60.99 1log n ILE 52 Cb 0.46 -0.22 -0.02 0.00 -0.84 0.00 0.00 39.64 39.02 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 -3.40 -0.33 -0.15 9.51 1.48 -1.26 -0.38 118.94 124.42 1log s TRP 53 Ca -0.04 -0.01 0.01 0.00 -1.06 0.00 0.00 56.10 55.00 1log s TRP 53 Cb 0.11 0.60 0.02 0.00 -1.16 0.00 0.00 33.47 33.04 1log s TRP 53 CO 0.84 -1.03 -0.18 0.34 -4.06 0.00 0.00 176.95 172.86 1log s ASP 54 N -2.84 2.88 0.44 -2.66 2.15 -0.01 -4.99 116.67 111.63 1log s ASP 54 Ca 0.07 -0.55 0.12 0.00 0.43 0.00 0.00 52.55 52.61 1log s ASP 54 Cb -0.03 -1.32 0.96 0.00 -0.30 0.00 0.00 42.92 42.23 1log s ASP 54 CO -0.03 0.00 2.01 0.77 -0.17 0.00 0.00 175.17 177.75 1log h SER 55 N 7.77 0.17 -0.12 -0.34 4.64 -1.94 0.32 113.55 124.05 1log h SER 55 Ca -0.38 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1log h SER 55 Cb 1.15 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1log h SER 55 CO 0.56 0.24 0.03 0.50 -0.87 0.00 0.00 176.83 177.29 1log h LYS 56 N 0.18 0.20 0.00 4.77 3.64 -1.97 -3.30 116.57 120.09 1log h LYS 56 Ca 0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1log h LYS 56 Cb 0.20 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1log h LYS 56 CO 0.01 0.38 -1.86 0.25 -2.27 0.00 0.00 179.45 175.96 1log n THR 57 N -4.84 0.10 -1.00 1.00 -2.24 -1.20 -4.97 114.28 101.14 1log n THR 57 Ca -0.05 -0.51 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1log n THR 57 Cb 0.16 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1log n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1log n GLY 58 N 1.25 0.48 3.78 3.38 0.00 0.11 -5.03 105.19 109.16 1log n GLY 58 Ca -0.04 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.13 5.97 0.03 1.61 0.01 -1.22 -4.80 114.94 114.42 1log s ASN 59 Ca 0.00 2.10 0.07 0.00 -0.71 0.00 0.00 52.86 54.32 1log s ASN 59 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1log s ASN 59 CO 0.00 -1.05 -0.20 -0.69 -1.51 0.00 0.00 177.10 173.66 1log s VAL 60 N -1.83 1.59 0.64 1.60 1.01 -1.26 -0.83 120.40 121.33 1log s VAL 60 Ca 0.70 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1log s VAL 60 Cb -0.22 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1log s VAL 60 CO 0.25 0.24 1.07 0.00 0.00 0.00 0.00 175.10 176.66 1log s ALA 61 N -0.73 2.63 0.05 5.51 0.00 0.49 -4.79 121.76 124.92 1log s ALA 61 Ca 0.07 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1log s ALA 61 Cb -0.08 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1log s ALA 61 CO 0.01 -1.07 0.27 -0.80 0.00 0.00 0.00 175.76 174.17 1log s ASN 62 N -3.00 6.45 0.13 0.00 0.01 -1.26 -4.17 114.94 113.09 1log s ASN 62 Ca 0.63 0.47 -0.16 0.00 -0.71 0.00 0.00 52.86 53.09 1log s ASN 62 Cb -0.17 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.48 1log s ASN 62 CO 0.43 0.19 0.40 0.72 -1.51 0.00 0.00 177.10 177.33 1log s PHE 63 N -1.43 -0.17 0.01 2.20 -0.12 -0.99 -5.00 117.98 112.47 1log s PHE 63 Ca 0.32 -0.15 -0.00 0.00 -0.05 0.00 0.00 56.93 57.05 1log s PHE 63 Cb -0.13 0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1log s PHE 63 CO 0.21 -0.71 -0.01 0.08 -0.05 0.00 0.00 175.22 174.74 1log s VAL 64 N -3.82 0.04 -0.02 -2.49 1.01 -1.26 -0.83 120.40 113.03 1log s VAL 64 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1log s VAL 64 Cb 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.31 1log s VAL 64 CO -0.11 -0.17 0.06 0.28 0.00 0.00 0.00 175.10 175.16 1log s THR 65 N -0.49 -0.00 0.05 3.92 -1.32 -0.59 -5.01 115.64 112.20 1log s THR 65 Ca -0.05 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.48 1log s THR 65 Cb -0.03 -0.09 -0.02 0.00 -1.51 0.00 0.00 72.50 70.84 1log s THR 65 CO -0.00 0.00 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.33 1log s SER 66 N 0.04 1.68 0.13 8.08 1.04 -1.26 -0.67 113.70 122.74 1log s SER 66 Ca -0.00 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1log s SER 66 Cb -0.01 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.07 1log s SER 66 CO 0.00 -0.00 0.43 0.72 0.98 0.00 0.00 173.24 175.37 1log s PHE 67 N -0.99 -0.25 -0.13 5.02 -0.71 -0.67 -5.00 117.98 115.24 1log s PHE 67 Ca 0.00 -0.04 -0.00 0.00 -1.04 0.00 0.00 56.93 55.85 1log s PHE 67 Cb -0.09 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 1log s PHE 67 CO 0.02 -0.72 -0.13 0.99 -1.34 0.00 0.00 175.22 174.04 1log s THR 68 N -3.78 3.08 0.24 -4.49 2.01 -1.26 -0.85 115.64 110.59 1log s THR 68 Ca 0.03 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1log s THR 68 Cb 0.01 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1log s THR 68 CO -0.12 0.52 -0.02 0.72 -0.69 0.00 0.00 174.62 175.03 1log s PHE 69 N 0.34 1.65 -0.03 4.92 -0.71 -0.77 -4.96 117.98 118.42 1log s PHE 69 Ca -0.11 -0.85 0.01 0.00 -1.04 0.00 0.00 56.93 54.94 1log s PHE 69 Cb -0.16 -0.95 0.02 0.00 -1.21 0.00 0.00 43.02 40.72 1log s PHE 69 CO 0.06 0.05 -0.01 0.08 -1.34 0.00 0.00 175.22 174.06 1log s VAL 70 N -3.30 0.24 -0.15 -2.49 1.01 -1.26 -1.51 120.40 112.94 1log s VAL 70 Ca 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1log s VAL 70 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1log s VAL 70 CO 0.09 0.15 -0.06 -0.63 0.00 0.00 0.00 175.10 174.65 1log s ILE 71 N 0.92 3.68 -0.41 2.22 1.01 -1.26 -5.01 121.20 122.34 1log s ILE 71 Ca -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1log s ILE 71 Cb -0.13 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.87 1log s ILE 71 CO -0.01 0.51 0.18 -0.62 0.00 0.00 0.00 174.94 174.99 1log s ASP 72 N 0.31 4.04 0.43 3.58 2.15 -1.26 -0.25 116.67 125.68 1log s ASP 72 Ca -0.05 -2.39 -0.08 0.00 0.43 0.00 0.00 52.55 50.45 1log s ASP 72 Cb -0.15 -1.20 -0.05 0.00 -0.30 0.00 0.00 42.92 41.22 1log s ASP 72 CO 0.04 -0.31 0.77 0.00 -0.17 0.00 0.00 175.17 175.50 1log s ALA 73 N 0.62 3.37 0.63 3.66 0.00 -1.26 -4.87 121.76 123.92 1log s ALA 73 Ca 0.15 -0.33 0.37 0.00 0.00 0.00 0.00 51.96 52.15 1log s ALA 73 Cb -0.22 -2.65 2.09 0.00 0.00 0.00 0.00 23.12 22.33 1log s ALA 73 CO -0.07 -0.15 2.27 -1.35 0.00 0.00 0.00 175.76 176.46 1log h PRO 74 N 0.84 0.00 -2.07 0.00 0.11 -1.99 -3.45 132.00 125.44 1log h PRO 74 Ca -0.47 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.86 1log h PRO 74 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1log h PRO 74 CO 0.63 0.00 0.59 0.54 -0.21 0.00 0.00 178.00 179.55 1log s ASN 75 N -5.49 -0.16 0.00 -2.05 4.22 -1.26 -5.04 114.94 105.16 1log s ASN 75 Ca -0.05 -0.29 0.08 0.00 -2.14 0.00 0.00 52.86 50.46 1log s ASN 75 Cb 0.14 0.38 0.49 0.00 1.28 0.00 0.00 41.25 43.54 1log s ASN 75 CO 0.46 -0.70 1.03 -1.20 -2.04 0.00 0.00 177.10 174.65 1log n SER 76 N -0.45 0.00 -0.03 3.54 7.64 -1.26 -3.90 113.62 119.15 1log n SER 76 Ca -0.07 -1.03 -0.04 0.00 1.01 0.00 0.00 58.87 58.74 1log n SER 76 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.70 0.00 -3.55 1.43 4.02 -1.26 -4.82 117.16 112.28 1log n TYR 77 Ca 0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.56 1log n TYR 77 Cb 0.03 -0.29 -0.05 0.00 -0.02 0.00 0.00 39.34 39.01 1log n TYR 77 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1log s ASN 78 N -4.35 6.24 -0.02 7.72 0.01 -1.25 -5.01 114.94 118.27 1log s ASN 78 Ca -0.07 -3.43 0.03 0.00 -0.71 0.00 0.00 52.86 48.67 1log s ASN 78 Cb 0.02 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.68 1log s ASN 78 CO 0.20 -0.28 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.70 1log s VAL 79 N -0.95 0.92 0.01 1.60 1.01 -1.26 -4.59 120.40 117.15 1log s VAL 79 Ca 0.25 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1log s VAL 79 Cb -0.10 -0.79 0.10 0.00 0.00 0.00 0.00 36.38 35.59 1log s VAL 79 CO -0.10 0.27 0.95 0.00 0.00 0.00 0.00 175.10 176.22 1log s ALA 80 N -0.06 -1.83 -0.08 5.51 0.00 -1.26 -4.23 121.76 119.81 1log s ALA 80 Ca 0.01 0.88 0.21 0.00 0.00 0.00 0.00 51.96 53.06 1log s ALA 80 Cb -0.07 0.41 -0.30 0.00 0.00 0.00 0.00 23.12 23.15 1log s ALA 80 CO 0.00 -0.76 0.41 -0.25 0.00 0.00 0.00 175.76 175.16 1log n ASP 81 N -0.28 0.05 0.00 0.00 8.00 -1.26 -5.02 116.55 118.04 1log n ASP 81 Ca -0.07 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1log n ASP 81 Cb 0.61 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 43.40 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 1.37 0.85 3.20 0.44 0.00 -1.26 -2.15 105.19 107.65 1log n GLY 82 Ca -0.10 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.00 -0.04 -0.08 1.61 5.36 -0.27 -5.00 117.98 117.56 1log s PHE 83 Ca 0.00 -0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 55.84 1log s PHE 83 Cb 0.00 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 1log s PHE 83 CO 0.00 -0.42 0.19 0.99 -1.46 0.00 0.00 175.22 174.53 1log s THR 84 N -2.09 -0.01 -0.23 0.12 2.01 -1.26 -0.25 115.64 113.93 1log s THR 84 Ca -0.09 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 1log s THR 84 Cb -0.03 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1log s THR 84 CO -0.01 0.02 0.16 0.12 -0.69 0.00 0.00 174.62 174.21 1log s PHE 85 N 0.38 3.34 0.23 4.92 5.36 -0.78 -4.99 117.98 126.44 1log s PHE 85 Ca -0.02 0.25 0.05 0.00 -0.96 0.00 0.00 56.93 56.25 1log s PHE 85 Cb -0.04 -2.25 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1log s PHE 85 CO -0.02 0.11 -0.05 -0.59 -1.46 0.00 0.00 175.22 173.22 1log s PHE 86 N 0.91 1.62 -0.13 10.12 -0.71 -1.26 -1.40 117.98 127.14 1log s PHE 86 Ca 0.08 -0.81 -0.01 0.00 -1.04 0.00 0.00 56.93 55.15 1log s PHE 86 Cb -0.13 -0.90 0.04 0.00 -1.21 0.00 0.00 43.02 40.81 1log s PHE 86 CO 0.03 0.10 -0.02 0.42 -1.34 0.00 0.00 175.22 174.40 1log s ILE 87 N -3.26 0.74 0.22 -4.49 1.01 -0.25 -5.00 121.20 110.17 1log s ILE 87 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1log s ILE 87 Cb 0.04 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1log s ILE 87 CO 0.08 0.17 0.15 0.00 0.00 0.00 0.00 174.94 175.34 1log s ALA 88 N 1.80 1.25 0.63 9.38 0.00 -1.26 -1.90 121.76 131.66 1log s ALA 88 Ca 0.03 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.07 1log s ALA 88 Cb -0.14 1.40 -0.06 0.00 0.00 0.00 0.00 23.12 24.32 1log s ALA 88 CO -0.07 -0.60 0.66 -2.30 0.00 0.00 0.00 175.76 173.45 1log n PRO 89 N -0.32 0.54 -0.14 0.00 -0.02 -1.26 -4.86 135.00 128.95 1log n PRO 89 Ca 0.03 0.22 0.24 0.00 -2.02 0.00 0.00 63.50 61.97 1log n PRO 89 Cb 0.66 -1.89 0.67 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.09 0.64 -0.79 -1.45 2.07 -1.99 -1.21 116.25 113.60 1log h VAL 90 Ca -0.46 -0.03 -0.35 0.00 0.82 0.00 0.00 66.70 66.68 1log h VAL 90 Cb 1.37 0.53 -0.21 0.00 -1.52 0.00 0.00 31.29 31.47 1log h VAL 90 CO 0.47 0.02 0.39 -0.90 0.02 0.00 0.00 177.57 177.57 1log n ASP 91 N -4.35 3.96 -4.67 0.57 5.75 -1.26 -4.99 116.55 111.56 1log n ASP 91 Ca 0.16 -3.48 -0.45 0.00 -0.01 0.00 0.00 54.79 51.01 1log n ASP 91 Cb 0.80 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 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 -0.77 0.59 -4.29 2.12 5.66 -0.46 -5.02 114.28 112.10 1log n THR 92 Ca 0.48 -0.15 -0.15 0.00 -3.05 0.00 0.00 64.05 61.18 1log n THR 92 Cb 1.46 -1.48 -0.10 0.00 -1.55 0.00 0.00 70.33 68.65 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 0.08 1.18 0.22 1.09 -2.85 -1.26 -5.09 119.74 113.11 1log s LYS 93 Ca 0.72 -1.55 -0.32 0.00 -1.00 0.00 0.00 55.97 53.83 1log s LYS 93 Cb -0.67 -0.64 -0.13 0.00 -2.06 0.00 0.00 37.83 34.33 1log s LYS 93 CO 0.45 0.01 1.56 -2.30 0.10 0.00 0.00 175.35 175.17 1log n PRO 94 N -0.29 2.36 0.00 1.78 -0.02 -1.26 -4.95 135.00 132.62 1log n PRO 94 Ca -0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1log n PRO 94 Cb 0.62 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.79 3.66 -1.91 -0.52 1.13 0.29 -4.99 117.38 117.82 1log n GLN 95 Ca 0.13 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.81 1log n GLN 95 Cb 0.33 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.70 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 2.63 2.36 0.00 5.09 2.01 -1.08 -4.50 115.64 122.14 1log s THR 96 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1log s THR 96 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1log s THR 96 CO 0.00 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1log n GLY 97 N 0.64 0.40 7.00 4.40 0.00 -1.26 -0.44 105.19 115.93 1log n GLY 97 Ca 0.09 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 2.86 0.04 -0.02 0.00 -1.26 -2.42 105.19 109.39 1log n GLY 98 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1log n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1log n GLY 99 N 0.00 -1.25 0.01 -0.02 0.00 -1.26 -1.99 105.19 100.68 1log n GLY 99 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1log n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1log n TYR 100 N -1.76 0.12 -1.39 1.61 4.01 -1.01 -4.97 117.16 113.77 1log n TYR 100 Ca 0.04 0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1log n TYR 100 Cb 0.25 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.60 -0.89 0.00 7.72 4.32 -0.84 -2.84 117.00 122.87 1log n LEU 101 Ca 0.06 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1log n LEU 101 Cb 0.35 -2.17 0.00 0.00 -1.62 0.00 0.00 43.42 39.99 1log n LEU 101 CO 0.30 -0.78 0.00 0.61 -1.22 0.00 0.00 177.39 176.30 1log n GLY 102 N -1.03 0.43 0.00 -0.72 0.00 0.41 -4.84 105.19 99.45 1log n GLY 102 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1log n GLY 102 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1log n VAL 103 N -2.47 0.00 -4.55 1.61 3.14 -1.14 -0.55 118.33 114.38 1log n VAL 103 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1log n VAL 103 Cb 0.12 -0.01 -0.09 0.00 -1.06 0.00 0.00 33.84 32.80 1log n VAL 103 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1log s PHE 104 N -1.63 1.85 0.00 1.45 0.08 -1.13 -4.77 117.98 113.82 1log s PHE 104 Ca 0.00 -1.15 0.00 0.00 0.12 0.00 0.00 56.93 55.90 1log s PHE 104 Cb 0.00 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 1log s PHE 104 CO 0.00 -0.13 0.06 0.09 -0.10 0.00 0.00 175.22 175.14 1log n ASN 105 N -1.17 0.11 -3.80 1.36 3.02 -1.26 -2.63 115.26 110.89 1log n ASN 105 Ca -0.07 -0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 53.93 1log n ASN 105 Cb 0.66 0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.99 1log n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1log s SER 106 N -0.21 -0.23 0.09 6.41 0.15 -1.26 -4.98 113.70 113.67 1log s SER 106 Ca 0.00 -0.58 0.14 0.00 0.70 0.00 0.00 55.95 56.21 1log s SER 106 Cb 0.00 0.60 -0.14 0.00 -1.71 0.00 0.00 66.02 64.77 1log s SER 106 CO 0.00 -1.10 0.98 0.50 1.20 0.00 0.00 173.24 174.82 1log h LYS 107 N 2.19 0.00 -6.77 5.44 3.11 -1.95 -1.10 116.57 117.48 1log h LYS 107 Ca -0.27 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.08 1log h LYS 107 Cb 1.26 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.46 1log h LYS 107 CO 0.35 0.51 0.19 -0.51 -2.81 0.00 0.00 179.45 177.19 1log s ASP 108 N -6.16 7.01 0.16 4.20 1.01 -1.26 -4.42 116.67 117.22 1log s ASP 108 Ca -0.01 1.51 -0.34 0.00 0.71 0.00 0.00 52.55 54.42 1log s ASP 108 Cb 0.09 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.42 1log s ASP 108 CO 0.80 -0.13 1.55 0.00 0.21 0.00 0.00 175.17 177.61 1log n TYR 109 N 0.11 2.23 -3.93 4.23 9.36 -1.26 -4.67 117.16 123.24 1log n TYR 109 Ca 0.02 0.30 -0.31 0.00 3.32 0.00 0.00 57.90 61.23 1log n TYR 109 Cb 0.52 -2.53 -0.15 0.00 -0.63 0.00 0.00 39.34 36.55 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 0.84 4.19 0.50 2.98 2.15 -0.32 -4.99 116.67 122.01 1log s ASP 110 Ca 0.78 -1.56 0.27 0.00 0.43 0.00 0.00 52.55 52.47 1log s ASP 110 Cb -0.69 -1.27 1.28 0.00 -0.30 0.00 0.00 42.92 41.94 1log s ASP 110 CO 0.39 -0.31 1.99 0.07 -0.17 0.00 0.00 175.17 177.14 1log h LYS 111 N 7.87 0.00 0.00 4.34 2.10 -1.93 -2.19 116.57 126.77 1log h LYS 111 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1log h LYS 111 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1log h LYS 111 CO 0.46 0.16 0.00 1.79 -2.00 0.00 0.00 179.45 179.85 1log h THR 112 N 0.00 0.00 0.03 0.07 1.35 -1.96 -3.24 112.91 109.16 1log h THR 112 Ca -0.00 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1log h THR 112 Cb 0.48 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1log h THR 112 CO 0.02 0.00 -0.01 -1.28 -0.25 0.00 0.00 175.52 174.00 1log h SER 113 N 0.00 -0.03 -6.32 5.36 0.87 -1.75 -3.47 113.55 108.21 1log h SER 113 Ca 0.00 -0.25 -0.48 0.00 -1.23 0.00 0.00 61.79 59.83 1log h SER 113 Cb 0.50 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 1log h SER 113 CO 0.00 0.23 -0.76 0.00 -0.53 0.00 0.00 176.83 175.77 1log n GLN 114 N -4.98 -5.44 -4.18 2.24 6.02 -1.23 -4.73 117.38 105.08 1log n GLN 114 Ca -0.08 0.59 -0.16 0.00 -0.01 0.00 0.00 57.00 57.34 1log n GLN 114 Cb 0.16 -5.48 -0.13 0.00 1.02 0.00 0.00 30.24 25.81 1log n GLN 114 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1log s THR 115 N -3.29 0.63 -0.05 5.09 -4.23 -1.26 -4.01 115.64 108.52 1log s THR 115 Ca 0.68 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1log s THR 115 Cb -0.34 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1log s THR 115 CO 0.83 -0.09 -0.25 0.54 -0.54 0.00 0.00 174.62 175.11 1log s VAL 116 N -0.76 2.02 0.02 2.29 0.11 -0.80 -1.32 120.40 121.95 1log s VAL 116 Ca -0.03 -1.06 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 1log s VAL 116 Cb -0.06 -1.70 -0.02 0.00 -1.53 0.00 0.00 36.38 33.07 1log s VAL 116 CO 0.00 0.57 -0.01 0.00 -3.33 0.00 0.00 175.10 172.33 1log s ALA 117 N -0.29 0.07 -0.31 1.54 0.00 0.01 -1.09 121.76 121.69 1log s ALA 117 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 1log s ALA 117 Cb -0.12 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1log s ALA 117 CO 0.02 -0.14 0.10 0.08 0.00 0.00 0.00 175.76 175.82 1log s VAL 118 N -1.24 4.02 0.11 0.00 1.01 -0.49 0.39 120.40 124.21 1log s VAL 118 Ca -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1log s VAL 118 Cb -0.08 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1log s VAL 118 CO -0.01 0.02 0.26 -1.83 0.00 0.00 0.00 175.10 173.55 1log s GLU 119 N 1.50 3.45 -0.39 2.72 -1.05 0.15 -1.86 118.70 123.22 1log s GLU 119 Ca 0.02 -0.50 0.02 0.00 -0.15 0.00 0.00 54.97 54.36 1log s GLU 119 Cb -0.18 -2.99 0.12 0.00 -0.44 0.00 0.00 34.13 30.64 1log s GLU 119 CO 0.03 0.55 0.16 -0.06 0.95 0.00 0.00 175.26 176.89 1log s PHE 120 N -1.65 2.47 -0.26 4.83 0.08 0.66 -1.14 117.98 122.97 1log s PHE 120 Ca 0.35 -2.47 -0.09 0.00 0.12 0.00 0.00 56.93 54.84 1log s PHE 120 Cb -0.12 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1log s PHE 120 CO 0.28 -0.84 0.13 0.34 -0.10 0.00 0.00 175.22 175.03 1log s ASP 121 N 0.74 5.65 0.00 1.36 -1.08 -0.21 -1.11 116.67 122.01 1log s ASP 121 Ca 0.14 -0.07 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 1log s ASP 121 Cb -0.21 -2.03 -0.01 0.00 -1.46 0.00 0.00 42.92 39.21 1log s ASP 121 CO -0.09 -0.02 0.91 0.35 0.52 0.00 0.00 175.17 176.85 1log n THR 122 N 4.85 0.00 -4.42 1.71 -2.24 -0.91 -1.78 114.28 111.48 1log n THR 122 Ca -0.15 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 1log n THR 122 Cb 0.52 1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.05 1.05 -0.39 4.78 2.19 -1.24 -4.60 117.98 117.71 1log s PHE 123 Ca 0.15 -0.29 -0.26 0.00 0.33 0.00 0.00 56.93 56.86 1log s PHE 123 Cb 0.14 -0.76 0.02 0.00 -1.31 0.00 0.00 43.02 41.11 1log s PHE 123 CO 0.45 -0.14 0.95 -0.47 1.83 0.00 0.00 175.22 177.84 1log s TYR 124 N 0.31 3.04 -0.32 10.12 5.04 -1.26 -4.99 117.35 129.28 1log s TYR 124 Ca -0.05 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 55.21 1log s TYR 124 Cb -0.10 -3.76 0.01 0.00 0.35 0.00 0.00 41.96 38.46 1log s TYR 124 CO 0.01 -0.90 0.13 -0.80 -1.34 0.00 0.00 175.55 172.65 1log s ASN 125 N 1.97 5.42 0.35 4.32 -0.87 -1.26 -4.98 114.94 119.90 1log s ASN 125 Ca 0.39 -0.76 0.07 0.00 -1.57 0.00 0.00 52.86 50.99 1log s ASN 125 Cb -0.11 -1.95 0.76 0.00 -0.02 0.00 0.00 41.25 39.92 1log s ASN 125 CO 0.21 -0.25 1.91 0.71 -2.57 0.00 0.00 177.10 177.10 1log h THR 126 N 5.83 0.93 -0.01 1.60 1.35 -1.94 -1.87 112.91 118.80 1log h THR 126 Ca -0.29 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1log h THR 126 Cb 1.12 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1log h THR 126 CO 0.62 0.14 0.01 0.00 -0.25 0.00 0.00 175.52 176.04 1log h ALA 127 N 1.59 1.59 0.00 6.62 0.00 -2.02 -3.38 119.26 123.66 1log h ALA 127 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1log h ALA 127 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1log h ALA 127 CO -0.16 -0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.40 1log n TRP 128 N -3.92 0.00 -2.36 0.00 2.14 -1.07 -5.12 117.44 107.11 1log n TRP 128 Ca -0.03 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.24 1log n TRP 128 Cb 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.59 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 0.00 6.36 0.18 -0.67 1.01 -0.72 -4.70 116.67 118.13 1log s ASP 129 Ca 0.00 1.25 -0.33 0.00 0.71 0.00 0.00 52.55 54.18 1log s ASP 129 Cb 0.00 -2.39 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1log s ASP 129 CO 0.00 -0.65 1.54 -0.81 0.21 0.00 0.00 175.17 175.46 1log n PRO 130 N -2.13 2.15 0.13 8.23 -0.04 -1.26 -4.86 135.00 137.21 1log n PRO 130 Ca 0.04 0.77 0.18 0.00 -0.04 0.00 0.00 63.50 64.45 1log n PRO 130 Cb 0.54 -2.52 0.75 0.00 -0.04 0.00 0.00 33.50 32.24 1log n PRO 130 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1log h SER 131 N 5.54 0.00 0.04 3.54 4.64 -1.94 -1.68 113.55 123.70 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1log h SER 131 CO 0.86 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.36 1log n ASN 132 N -4.04 0.29 0.00 4.97 0.23 -1.26 -4.82 115.26 110.62 1log n ASN 132 Ca 0.05 0.63 0.00 0.00 -0.53 0.00 0.00 54.58 54.73 1log n ASN 132 Cb 0.44 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 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 -1.31 0.92 3.81 4.83 0.00 -0.63 -5.01 105.19 107.79 1log n GLY 133 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.85 5.48 0.51 1.61 1.01 -1.26 -4.69 116.67 116.47 1log s ASP 134 Ca 0.00 1.74 -0.19 0.00 0.71 0.00 0.00 52.55 54.81 1log s ASP 134 Cb 0.00 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.34 1log s ASP 134 CO 0.00 -1.38 1.04 -0.13 0.21 0.00 0.00 175.17 174.92 1log s ARG 135 N -4.56 3.70 0.15 8.23 0.52 -1.26 -4.84 118.95 120.89 1log s ARG 135 Ca 0.61 1.33 -0.24 0.00 -0.52 0.00 0.00 55.73 56.91 1log s ARG 135 Cb -0.15 -2.08 0.07 0.00 0.52 0.00 0.00 34.95 33.31 1log s ARG 135 CO 0.46 -0.51 0.64 -3.38 0.02 0.00 0.00 175.30 172.54 1log s HIS 136 N -2.08 -0.49 -0.07 -0.53 -3.43 -0.73 -0.87 115.29 107.08 1log s HIS 136 Ca 0.67 0.28 -0.16 0.00 -0.80 0.00 0.00 55.06 55.04 1log s HIS 136 Cb -0.16 0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 31.50 1log s HIS 136 CO 0.23 -0.83 0.41 0.42 -2.00 0.00 0.00 174.74 172.97 1log s ILE 137 N -3.68 5.14 0.07 -5.38 1.01 0.08 -1.05 121.20 117.39 1log s ILE 137 Ca 0.02 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.52 1log s ILE 137 Cb -0.01 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1log s ILE 137 CO -0.11 0.45 -0.08 -0.83 0.00 0.00 0.00 174.94 174.37 1log s GLY 138 N -0.17 0.64 -0.19 6.18 0.00 -0.29 -1.35 107.32 112.14 1log s GLY 138 Ca 0.23 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 1log s GLY 138 CO 0.10 -1.10 0.01 -0.42 0.00 0.00 0.00 173.10 171.70 1log s ILE 139 N -2.29 4.14 -0.07 0.90 1.01 -0.82 -0.68 121.20 123.40 1log s ILE 139 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1log s ILE 139 Cb -0.04 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1log s ILE 139 CO -0.01 0.44 -0.21 -1.81 0.00 0.00 0.00 174.94 173.35 1log s ASP 140 N 0.78 2.64 -0.21 3.58 1.01 0.16 -0.67 116.67 123.96 1log s ASP 140 Ca 0.01 -0.45 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 1log s ASP 140 Cb -0.14 -0.93 0.06 0.00 1.01 0.00 0.00 42.92 42.92 1log s ASP 140 CO 0.02 0.17 -0.03 0.68 0.21 0.00 0.00 175.17 176.22 1log s VAL 141 N 0.15 1.16 -2.06 -1.27 -7.23 -1.26 -0.81 120.40 109.08 1log s VAL 141 Ca -0.10 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1log s VAL 141 Cb -0.15 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1log s VAL 141 CO 0.05 -0.08 0.00 0.59 -0.31 0.00 0.00 175.10 175.34 1log n ASN 142 N 4.82 -5.52 -3.59 4.85 5.03 -0.44 -4.85 115.26 115.56 1log n ASN 142 Ca -0.11 0.38 -0.09 0.00 0.87 0.00 0.00 54.58 55.63 1log n ASN 142 Cb 0.46 -4.75 -0.05 0.00 -1.02 0.00 0.00 39.78 34.42 1log n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1log s SER 143 N -2.63 -0.34 0.09 6.41 0.15 -1.26 -1.18 113.70 114.95 1log s SER 143 Ca 0.00 0.43 0.23 0.00 0.70 0.00 0.00 55.95 57.31 1log s SER 143 Cb 0.00 0.35 0.93 0.00 -1.71 0.00 0.00 66.02 65.59 1log s SER 143 CO 0.00 -0.27 1.73 0.00 1.20 0.00 0.00 173.24 175.90 1log n ILE 144 N 0.95 0.55 -2.82 6.45 0.13 -0.42 -4.57 119.36 119.64 1log n ILE 144 Ca -0.10 0.05 -0.43 0.00 -1.10 0.00 0.00 62.75 61.18 1log n ILE 144 Cb 0.58 -0.78 -0.04 0.00 -0.84 0.00 0.00 39.64 38.56 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 -3.08 3.67 0.46 9.51 2.20 -1.26 -4.93 119.74 126.32 1log s LYS 145 Ca 0.10 0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.80 1log s LYS 145 Cb 0.13 -3.87 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 1log s LYS 145 CO 0.45 -1.09 1.39 -1.12 -0.36 0.00 0.00 175.35 174.61 1log s SER 146 N 2.09 5.82 0.16 1.43 0.01 -1.26 -4.70 113.70 117.26 1log s SER 146 Ca 0.37 2.84 0.27 0.00 1.31 0.00 0.00 55.95 60.74 1log s SER 146 Cb -0.11 -2.65 0.91 0.00 0.21 0.00 0.00 66.02 64.38 1log s SER 146 CO 0.23 -1.20 1.81 2.30 0.41 0.00 0.00 173.24 176.78 1log n ILE 147 N -0.32 0.47 -3.58 1.44 -5.35 0.16 -4.85 119.36 107.32 1log n ILE 147 Ca 0.06 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 1log n ILE 147 Cb 0.43 -0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 37.68 1log n ILE 147 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1log s ASN 148 N -4.17 -0.66 0.02 7.28 2.47 -1.25 -5.01 114.94 113.62 1log s ASN 148 Ca 0.11 1.02 -0.03 0.00 0.42 0.00 0.00 52.86 54.38 1log s ASN 148 Cb 0.14 0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 40.87 1log s ASN 148 CO 0.58 -0.40 0.04 -0.89 -3.72 0.00 0.00 177.10 172.70 1log s THR 149 N -0.40 0.12 -0.03 -5.21 2.01 -1.26 -1.94 115.64 108.93 1log s THR 149 Ca -0.05 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1log s THR 149 Cb -0.03 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.94 1log s THR 149 CO 0.04 -0.54 -0.04 -0.75 -0.69 0.00 0.00 174.62 172.64 1log s LYS 150 N -1.93 0.68 0.45 4.92 2.47 -0.46 -4.96 119.74 120.92 1log s LYS 150 Ca -0.11 -0.10 -0.24 0.00 -1.56 0.00 0.00 55.97 53.96 1log s LYS 150 Cb -0.06 -0.71 -0.08 0.00 -1.46 0.00 0.00 37.83 35.53 1log s LYS 150 CO -0.02 -0.04 1.23 -1.12 0.16 0.00 0.00 175.35 175.55 1log s SER 151 N 0.70 6.15 -0.04 1.43 0.01 -1.26 -0.74 113.70 119.95 1log s SER 151 Ca -0.09 2.46 -0.02 0.00 1.31 0.00 0.00 55.95 59.61 1log s SER 151 Cb -0.12 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1log s SER 151 CO -0.00 -0.94 0.09 0.86 0.41 0.00 0.00 173.24 173.66 1log s TRP 152 N -1.41 -0.09 -0.34 2.43 -0.00 -0.05 -4.82 118.94 114.65 1log s TRP 152 Ca 0.62 0.28 -0.14 0.00 -0.00 0.00 0.00 56.10 56.85 1log s TRP 152 Cb -0.33 -0.03 -0.01 0.00 -0.00 0.00 0.00 33.47 33.09 1log s TRP 152 CO 0.41 -0.08 0.30 0.00 -0.00 0.00 0.00 176.95 177.58 1log s ALA 153 N 0.46 3.50 0.15 5.86 0.00 -1.26 -4.18 121.76 126.30 1log s ALA 153 Ca -0.03 -1.32 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 1log s ALA 153 Cb -0.05 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 1log s ALA 153 CO -0.02 -1.04 1.35 -1.17 0.00 0.00 0.00 175.76 174.88 1log s LEU 154 N 1.86 4.39 -0.49 0.00 2.96 -1.26 -4.99 118.68 121.14 1log s LEU 154 Ca 0.09 2.35 -0.05 0.00 -0.22 0.00 0.00 54.13 56.30 1log s LEU 154 Cb -0.17 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.05 1log s LEU 154 CO 0.11 -0.59 0.33 -1.10 -1.32 0.00 0.00 176.35 173.78 1log s GLN 155 N 0.54 2.35 -0.17 1.98 -0.21 -1.26 -5.06 119.66 117.83 1log s GLN 155 Ca 0.61 -1.99 -0.37 0.00 0.02 0.00 0.00 55.36 53.64 1log s GLN 155 Cb -0.37 -3.77 -0.13 0.00 1.00 0.00 0.00 33.01 29.75 1log s GLN 155 CO 0.34 -1.15 1.83 -1.71 -2.12 0.00 0.00 175.29 172.49 1log n ASN 156 N 4.43 3.04 0.00 5.90 5.15 -1.26 -2.02 115.26 130.50 1log n ASN 156 Ca -0.01 1.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 1log n ASN 156 Cb 0.41 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1log n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1log n GLY 157 N 4.34 1.31 3.89 8.20 0.00 0.65 -4.98 105.19 118.62 1log n GLY 157 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.28 3.69 0.13 1.61 1.02 -0.86 -4.91 119.74 120.13 1log s LYS 158 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1log s LYS 158 Cb 0.00 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 1log s LYS 158 CO 0.00 0.34 1.14 -1.21 -0.92 0.00 0.00 175.35 174.71 1log s GLU 159 N -2.98 4.52 -0.05 1.68 2.02 -1.26 -4.45 118.70 118.18 1log s GLU 159 Ca 0.44 1.74 0.04 0.00 0.02 0.00 0.00 54.97 57.22 1log s GLU 159 Cb -0.11 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1log s GLU 159 CO 0.25 -0.08 -0.16 0.00 0.02 0.00 0.00 175.26 175.29 1log s ALA 160 N 0.34 2.57 -0.19 5.21 0.00 -0.57 -4.47 121.76 124.65 1log s ALA 160 Ca 0.53 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1log s ALA 160 Cb -0.29 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1log s ALA 160 CO 0.33 0.54 -0.04 -0.80 0.00 0.00 0.00 175.76 175.78 1log s ASN 161 N -0.66 4.47 0.11 0.00 0.02 -0.46 -1.84 114.94 116.58 1log s ASN 161 Ca 0.10 -0.30 0.10 0.00 -1.02 0.00 0.00 52.86 51.74 1log s ASN 161 Cb -0.11 -1.75 -0.04 0.00 0.02 0.00 0.00 41.25 39.37 1log s ASN 161 CO 0.01 0.05 -0.24 0.54 0.02 0.00 0.00 177.10 177.47 1log s VAL 162 N 1.06 2.03 -0.11 1.60 0.11 -0.03 -0.63 120.40 124.43 1log s VAL 162 Ca 0.01 -1.64 0.01 0.00 -2.93 0.00 0.00 61.98 57.43 1log s VAL 162 Cb -0.15 -1.81 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 1log s VAL 162 CO 0.00 0.05 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.00 1log s VAL 163 N -1.08 1.37 -0.12 2.04 1.01 -0.58 -1.68 120.40 121.37 1log s VAL 163 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1log s VAL 163 Cb -0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1log s VAL 163 CO 0.05 0.42 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 1log s ILE 164 N 1.17 2.82 -0.01 2.22 1.01 0.15 -1.14 121.20 127.43 1log s ILE 164 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1log s ILE 164 Cb -0.14 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1log s ILE 164 CO -0.04 0.53 -0.03 0.00 0.00 0.00 0.00 174.94 175.41 1log s ALA 165 N 0.31 0.25 -0.13 9.38 0.00 -0.17 -1.54 121.76 129.86 1log s ALA 165 Ca -0.12 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1log s ALA 165 Cb -0.16 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1log s ALA 165 CO 0.06 0.04 -0.21 0.12 0.00 0.00 0.00 175.76 175.77 1log s PHE 166 N 0.05 2.58 -0.42 0.00 5.36 -0.01 -0.14 117.98 125.40 1log s PHE 166 Ca -0.00 -1.27 -0.11 0.00 -0.96 0.00 0.00 56.93 54.59 1log s PHE 166 Cb -0.02 -1.76 0.07 0.00 -0.34 0.00 0.00 43.02 40.96 1log s PHE 166 CO -0.00 -0.58 0.28 1.21 -1.46 0.00 0.00 175.22 174.66 1log s ASN 167 N 0.79 5.76 0.47 6.13 3.84 -0.53 -2.36 114.94 129.04 1log s ASN 167 Ca -0.08 -1.36 0.13 0.00 0.21 0.00 0.00 52.86 51.76 1log s ASN 167 Cb -0.16 -2.04 1.09 0.00 -0.55 0.00 0.00 41.25 39.60 1log s ASN 167 CO -0.01 -0.53 2.08 0.00 -2.79 0.00 0.00 177.10 175.86 1log h ALA 168 N 8.48 1.93 0.00 1.71 0.00 -1.87 0.13 119.26 129.65 1log h ALA 168 Ca -0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1log h ALA 168 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1log h ALA 168 CO 0.76 0.03 -0.27 0.00 0.00 0.00 0.00 179.25 179.78 1log h ALA 169 N 1.84 1.51 0.00 0.00 0.00 -1.93 -3.24 119.26 117.45 1log h ALA 169 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1log h ALA 169 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1log h ALA 169 CO -0.02 0.33 -0.44 0.25 0.00 0.00 0.00 179.25 179.37 1log n THR 170 N -4.15 0.00 -1.92 0.00 -2.24 -1.02 -5.00 114.28 99.95 1log n THR 170 Ca -0.02 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1log n THR 170 Cb 0.32 0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.23 -5.09 -4.66 3.42 5.03 0.43 -4.99 115.26 108.16 1log n ASN 171 Ca 0.01 0.20 -0.41 0.00 0.87 0.00 0.00 54.58 55.25 1log n ASN 171 Cb 0.09 -4.14 -0.04 0.00 -1.02 0.00 0.00 39.78 34.66 1log n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1log s VAL 172 N -2.76 4.90 -0.29 2.41 1.01 -1.20 -4.90 120.40 119.58 1log s VAL 172 Ca 0.00 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 1log s VAL 172 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1log s VAL 172 CO 0.00 0.03 0.18 -0.22 0.00 0.00 0.00 175.10 175.08 1log s LEU 173 N 2.21 4.05 -0.07 3.92 0.20 -1.26 -1.46 118.68 126.29 1log s LEU 173 Ca 0.36 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.97 1log s LEU 173 Cb -0.16 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.50 1log s LEU 173 CO 0.11 -0.11 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.08 1log s THR 174 N 1.70 3.57 -0.04 3.68 2.01 0.80 -4.96 115.64 122.40 1log s THR 174 Ca 0.06 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1log s THR 174 Cb -0.16 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1log s THR 174 CO 0.09 0.59 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.81 1log s VAL 175 N -0.74 0.97 -0.07 3.82 1.01 -1.26 -0.99 120.40 123.14 1log s VAL 175 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1log s VAL 175 Cb -0.11 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1log s VAL 175 CO 0.01 0.31 -0.04 -0.55 0.00 0.00 0.00 175.10 174.83 1log s SER 176 N 0.43 1.48 -0.21 3.32 0.15 -0.29 -5.01 113.70 113.57 1log s SER 176 Ca -0.09 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1log s SER 176 Cb -0.12 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1log s SER 176 CO 0.02 -0.11 -0.13 -0.22 1.20 0.00 0.00 173.24 173.99 1log s LEU 177 N 1.42 2.67 0.01 3.45 1.98 -1.26 -1.52 118.68 125.43 1log s LEU 177 Ca -0.03 -0.78 0.08 0.00 -2.89 0.00 0.00 54.13 50.52 1log s LEU 177 Cb -0.13 -1.57 -0.02 0.00 0.66 0.00 0.00 46.19 45.13 1log s LEU 177 CO -0.03 -0.06 -0.26 0.42 -1.89 0.00 0.00 176.35 174.53 1log s THR 178 N 1.29 2.15 -0.19 3.68 -4.23 0.19 -4.95 115.64 113.58 1log s THR 178 Ca 0.02 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1log s THR 178 Cb -0.15 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1log s THR 178 CO -0.09 0.47 0.04 -0.31 -0.54 0.00 0.00 174.62 174.19 1log s TYR 179 N -0.72 3.15 -0.34 3.99 2.02 -1.26 -1.35 117.35 122.84 1log s TYR 179 Ca 0.11 -0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1log s TYR 179 Cb -0.10 -2.09 -0.23 0.00 -0.40 0.00 0.00 41.96 39.14 1log s TYR 179 CO 0.01 -0.03 3.44 -0.35 -1.57 0.00 0.00 175.55 177.05 1log n PRO 180 N 3.89 2.32 0.00 -1.71 -0.04 -1.26 -5.07 135.00 133.13 1log n PRO 180 Ca -0.17 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1log n PRO 180 Cb 0.52 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1log n PRO 180 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55