#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mut s LYS 2 N 0.00 1.68 0.59 0.03 2.36 -1.26 -5.01 119.74 118.13 1mut s LYS 2 Ca 0.00 -1.04 -0.20 0.00 -2.55 0.00 0.00 55.97 52.19 1mut s LYS 2 Cb 0.00 -1.82 -0.04 0.00 -1.05 0.00 0.00 37.83 34.91 1mut s LYS 2 CO 0.00 0.47 1.13 1.63 1.55 0.00 0.00 175.35 180.14 1mut n LYS 3 N 1.85 1.17 -3.36 4.03 4.01 -1.26 -4.31 118.16 120.29 1mut n LYS 3 Ca -0.17 0.44 -0.26 0.00 -0.51 0.00 0.00 58.31 57.82 1mut n LYS 3 Cb 0.52 -2.34 -0.08 0.00 -0.51 0.00 0.00 35.03 32.62 1mut n LYS 3 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1mut n LEU 4 N -0.98 0.94 -4.60 -0.35 4.77 -1.25 -5.00 117.00 110.54 1mut n LEU 4 Ca 0.13 -4.80 -0.42 0.00 -0.03 0.00 0.00 56.01 50.90 1mut n LEU 4 Cb 0.46 0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1mut n LEU 4 CO 0.50 1.98 0.55 -1.10 -1.33 0.00 0.00 177.39 177.99 1mut s GLN 5 N -1.12 3.90 -0.04 3.23 1.11 -1.26 -2.26 119.66 123.21 1mut s GLN 5 Ca 0.34 0.46 0.03 0.00 0.01 0.00 0.00 55.36 56.21 1mut s GLN 5 Cb 0.11 -3.75 -0.03 0.00 -1.01 0.00 0.00 33.01 28.33 1mut s GLN 5 CO -0.12 -0.71 -0.11 0.42 0.01 0.00 0.00 175.29 174.79 1mut s ILE 6 N 2.93 3.36 -0.37 1.08 1.09 -1.09 -1.52 121.20 126.69 1mut s ILE 6 Ca 0.31 -0.69 -0.11 0.00 -1.10 0.00 0.00 60.65 59.06 1mut s ILE 6 Cb -0.14 -2.37 0.02 0.00 -1.06 0.00 0.00 42.46 38.91 1mut s ILE 6 CO 0.13 0.54 0.21 0.00 -0.10 0.00 0.00 174.94 175.73 1mut s ALA 7 N -0.82 3.31 -0.32 9.38 0.00 -1.25 -3.50 121.76 128.55 1mut s ALA 7 Ca 0.13 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1mut s ALA 7 Cb -0.11 -2.61 0.10 0.00 0.00 0.00 0.00 23.12 20.50 1mut s ALA 7 CO 0.02 -1.35 0.08 0.54 0.00 0.00 0.00 175.76 175.06 1mut s VAL 8 N 1.58 1.37 -0.27 0.00 0.11 -1.26 -3.33 120.40 118.59 1mut s VAL 8 Ca 0.03 -1.73 -0.25 0.00 -2.93 0.00 0.00 61.98 57.10 1mut s VAL 8 Cb -0.19 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1mut s VAL 8 CO 0.07 -0.65 0.86 -0.83 -3.33 0.00 0.00 175.10 171.23 1mut s GLY 9 N 1.37 1.71 0.85 6.54 0.00 -1.26 -3.98 107.32 112.54 1mut s GLY 9 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 1mut s GLY 9 CO -0.19 1.87 1.20 -0.42 0.00 0.00 0.00 173.10 175.56 1mut s ILE 10 N 3.01 2.05 0.03 0.90 1.01 -0.56 -4.72 121.20 122.92 1mut s ILE 10 Ca 0.36 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 1mut s ILE 10 Cb -0.14 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 1mut s ILE 10 CO 0.10 0.00 0.13 -0.63 0.00 0.00 0.00 174.94 174.54 1mut s ILE 11 N -3.62 0.12 -0.27 2.92 1.01 -1.26 -3.68 121.20 116.42 1mut s ILE 11 Ca 0.67 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1mut s ILE 11 Cb -0.08 -0.77 0.08 0.00 0.01 0.00 0.00 42.46 41.69 1mut s ILE 11 CO 0.50 -0.52 0.67 -0.60 0.00 0.00 0.00 174.94 174.98 1mut s ARG 12 N -2.28 0.70 0.00 2.79 3.52 -1.26 -1.36 118.95 121.07 1mut s ARG 12 Ca -0.08 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1mut s ARG 12 Cb -0.03 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1mut s ARG 12 CO -0.03 -0.14 0.00 0.09 -0.81 0.00 0.00 175.30 174.41 1mut n ASN 13 N 4.07 0.00 -0.08 -2.12 5.03 -1.05 -3.10 115.26 118.00 1mut n ASN 13 Ca -0.19 -0.27 0.13 0.00 0.87 0.00 0.00 54.58 55.12 1mut n ASN 13 Cb 0.58 0.00 0.46 0.00 -1.02 0.00 0.00 39.78 39.81 1mut n ASN 13 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1mut n GLU 14 N -0.27 0.38 -0.12 3.52 1.02 -1.26 -3.40 120.64 120.52 1mut n GLU 14 Ca 0.00 -0.16 0.02 0.00 -0.02 0.00 0.00 57.16 57.00 1mut n GLU 14 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.00 1mut n GLU 14 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mut n ASN 15 N -1.17 1.21 -3.54 1.62 5.15 -1.26 -4.86 115.26 112.41 1mut n ASN 15 Ca 0.10 -2.06 -0.22 0.00 -0.60 0.00 0.00 54.58 51.81 1mut n ASN 15 Cb 0.32 -0.23 0.08 0.00 -0.53 0.00 0.00 39.78 39.43 1mut n ASN 15 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1mut n ASN 16 N 0.03 -4.93 -4.28 1.20 4.05 -1.22 -4.93 115.26 105.18 1mut n ASN 16 Ca 0.06 -0.57 -0.20 0.00 0.45 0.00 0.00 54.58 54.32 1mut n ASN 16 Cb 0.23 -5.06 -0.11 0.00 1.23 0.00 0.00 39.78 36.06 1mut n ASN 16 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1mut s GLU 17 N -5.99 1.12 0.22 1.20 2.02 -1.26 -2.42 118.70 113.60 1mut s GLU 17 Ca 0.39 -1.29 0.12 0.00 0.02 0.00 0.00 54.97 54.21 1mut s GLU 17 Cb -0.17 -1.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.90 1mut s GLU 17 CO 0.73 0.22 -0.22 0.42 0.02 0.00 0.00 175.26 176.43 1mut s ILE 18 N -1.99 2.43 -0.89 -1.63 1.01 -1.20 -2.54 121.20 116.40 1mut s ILE 18 Ca 0.11 -2.16 -0.09 0.00 0.00 0.00 0.00 60.65 58.51 1mut s ILE 18 Cb -0.06 -2.21 0.23 0.00 0.01 0.00 0.00 42.46 40.43 1mut s ILE 18 CO 0.04 -0.22 0.82 0.12 0.00 0.00 0.00 174.94 175.70 1mut s PHE 19 N -1.98 3.87 0.97 3.97 5.36 -0.46 -1.16 117.98 128.55 1mut s PHE 19 Ca 0.24 -2.43 -0.16 0.00 -0.96 0.00 0.00 56.93 53.63 1mut s PHE 19 Cb -0.07 -3.66 0.19 0.00 -0.34 0.00 0.00 43.02 39.14 1mut s PHE 19 CO 0.12 -0.93 1.28 0.42 -1.46 0.00 0.00 175.22 174.65 1mut s ILE 20 N -0.47 1.96 -0.12 3.12 -1.09 -0.31 -4.31 121.20 119.98 1mut s ILE 20 Ca 0.23 0.00 -0.19 0.00 -2.23 0.00 0.00 60.65 58.46 1mut s ILE 20 Cb -0.11 -2.94 0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1mut s ILE 20 CO -0.08 0.00 0.47 -0.89 -1.23 0.00 0.00 174.94 173.21 1mut s THR 21 N -3.73 0.02 -0.27 2.92 2.01 -1.17 -0.50 115.64 114.91 1mut s THR 21 Ca 0.72 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.59 1mut s THR 21 Cb -0.06 -0.71 0.16 0.00 0.01 0.00 0.00 72.50 71.90 1mut s THR 21 CO 0.53 -0.07 0.46 -0.60 -0.69 0.00 0.00 174.62 174.25 1mut s ARG 22 N -0.40 0.44 -0.48 4.92 6.06 -1.26 -1.74 118.95 126.50 1mut s ARG 22 Ca -0.05 0.54 -0.26 0.00 -2.50 0.00 0.00 55.73 53.46 1mut s ARG 22 Cb -0.03 -0.10 -0.07 0.00 0.06 0.00 0.00 34.95 34.81 1mut s ARG 22 CO 0.03 -0.79 2.37 -0.98 -2.50 0.00 0.00 175.30 173.43 1mut s ARG 23 N 2.65 2.20 -0.48 5.12 1.70 -1.26 -4.78 118.95 124.10 1mut s ARG 23 Ca 0.14 1.42 -0.38 0.00 -0.47 0.00 0.00 55.73 56.44 1mut s ARG 23 Cb -0.14 -4.56 -0.17 0.00 -0.57 0.00 0.00 34.95 29.51 1mut s ARG 23 CO -0.22 -3.17 1.92 0.00 -1.08 0.00 0.00 175.30 172.75 1mut n ALA 24 N 15.46 0.20 -2.12 7.88 0.00 -1.26 -4.77 120.51 135.90 1mut n ALA 24 Ca 0.35 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1mut n ALA 24 Cb 0.54 -1.84 0.07 0.00 0.00 0.00 0.00 19.45 18.23 1mut n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mut n ALA 25 N 6.80 3.94 -0.89 0.00 0.00 -1.26 -4.91 120.51 124.18 1mut n ALA 25 Ca 0.49 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.61 1mut n ALA 25 Cb -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1mut n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mut n ASP 26 N -0.66 -2.14 0.00 0.00 8.00 -1.26 -4.84 116.55 115.65 1mut n ASP 26 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1mut n ASP 26 Cb 0.89 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1mut n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mut n ALA 27 N 1.00 0.00 -2.65 2.24 0.00 -1.26 -4.79 120.51 115.05 1mut n ALA 27 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1mut n ALA 27 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 1mut n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1mut n HIS 28 N 0.00 -0.47 0.00 0.00 -0.00 -1.26 -5.07 115.22 108.42 1mut n HIS 28 Ca 0.00 -0.74 0.00 0.00 0.46 0.00 0.00 57.72 57.44 1mut n HIS 28 Cb 0.00 1.16 0.00 0.00 -0.12 0.00 0.00 29.99 31.03 1mut n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1mut n MET 29 N -0.50 0.00 0.00 1.57 2.81 -1.26 -5.07 117.12 114.67 1mut n MET 29 Ca -0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1mut n MET 29 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 1mut n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mut n ALA 30 N 0.00 1.12 -2.89 3.04 0.00 -1.26 -5.06 120.51 115.46 1mut n ALA 30 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1mut n ALA 30 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1mut n ALA 30 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mut s ASN 31 N 1.00 5.56 -0.13 0.00 -0.87 -1.26 -5.04 114.94 114.19 1mut s ASN 31 Ca 0.00 -0.68 -0.00 0.00 -1.57 0.00 0.00 52.86 50.61 1mut s ASN 31 Cb 0.00 -1.99 -0.01 0.00 -0.02 0.00 0.00 41.25 39.22 1mut s ASN 31 CO 0.00 -0.25 -0.13 -0.54 -2.57 0.00 0.00 177.10 173.61 1mut s LYS 32 N 1.58 3.35 0.20 -0.60 -0.14 -1.26 -4.64 119.74 118.23 1mut s LYS 32 Ca 0.04 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 1mut s LYS 32 Cb -0.18 -2.63 -0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1mut s LYS 32 CO 0.06 0.17 0.26 1.47 -0.76 0.00 0.00 175.35 176.55 1mut n LEU 33 N 3.63 0.00 0.00 3.17 -0.00 -1.17 -4.93 117.00 117.70 1mut n LEU 33 Ca -0.18 -1.74 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1mut n LEU 33 Cb 0.53 1.36 0.00 0.00 -0.00 0.00 0.00 43.42 45.31 1mut n LEU 33 CO 0.30 -0.37 0.00 1.21 -0.00 0.00 0.00 177.39 178.54 1mut n GLU 34 N -0.35 0.00 -4.31 1.47 2.13 -0.71 -3.90 120.64 114.97 1mut n GLU 34 Ca 0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 1mut n GLU 34 Cb 0.35 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.98 1mut n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1mut s PHE 35 N -1.78 2.64 0.00 4.31 0.08 -1.19 -3.03 117.98 119.02 1mut s PHE 35 Ca 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1mut s PHE 35 Cb 0.00 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1mut s PHE 35 CO 0.00 0.61 0.00 -2.30 -0.10 0.00 0.00 175.22 173.43 1mut n PRO 36 N -0.69 1.76 0.00 0.24 -0.01 -1.26 -4.62 135.00 130.42 1mut n PRO 36 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.42 1mut n PRO 36 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.07 1mut n PRO 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1mut n GLY 37 N 0.00 -2.09 0.00 -1.23 0.00 0.42 -4.45 105.19 97.85 1mut n GLY 37 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1mut n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mut n GLY 38 N -0.06 0.20 3.62 -0.02 0.00 -1.21 -4.32 105.19 103.40 1mut n GLY 38 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1mut n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mut s LYS 39 N 0.00 0.52 -0.34 1.61 2.20 -1.26 -4.77 119.74 117.69 1mut s LYS 39 Ca 0.00 0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 55.89 1mut s LYS 39 Cb 0.00 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1mut s LYS 39 CO 0.00 -0.10 0.23 -1.50 -0.36 0.00 0.00 175.35 173.62 1mut s ILE 40 N -0.26 5.23 0.35 5.43 2.07 -0.58 -3.89 121.20 129.55 1mut s ILE 40 Ca 0.02 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.07 1mut s ILE 40 Cb -0.03 -3.69 0.05 0.00 0.13 0.00 0.00 42.46 38.92 1mut s ILE 40 CO -0.04 -0.01 0.45 -0.62 -1.91 0.00 0.00 174.94 172.81 1mut n GLU 41 N 5.10 0.80 -0.56 3.50 1.02 -1.26 -4.95 120.64 124.29 1mut n GLU 41 Ca -0.13 -1.95 0.08 0.00 -0.02 0.00 0.00 57.16 55.14 1mut n GLU 41 Cb 0.50 -0.08 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1mut n GLU 41 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mut n MET 42 N -1.68 -1.12 -1.55 3.49 2.81 -1.26 -4.55 117.12 113.26 1mut n MET 42 Ca 0.08 0.74 -0.39 0.00 -1.81 0.00 0.00 57.70 56.32 1mut n MET 42 Cb 0.37 -1.37 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1mut n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mut n GLY 43 N -1.85 -0.77 3.64 3.03 0.00 -1.26 -4.91 105.19 103.07 1mut n GLY 43 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1mut n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mut s GLU 44 N -2.29 4.13 0.38 1.61 8.01 -1.26 -4.13 118.70 125.15 1mut s GLU 44 Ca 0.70 0.41 -0.16 0.00 0.01 0.00 0.00 54.97 55.93 1mut s GLU 44 Cb -0.47 -3.61 0.05 0.00 -4.31 0.00 0.00 34.13 25.79 1mut s GLU 44 CO 0.52 -0.28 0.79 0.95 0.01 0.00 0.00 175.26 177.25 1mut s THR 45 N 2.07 0.00 -0.08 3.63 -4.23 -1.26 -4.94 115.64 110.83 1mut s THR 45 Ca 0.23 -1.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.04 1mut s THR 45 Cb -0.16 -2.86 0.37 0.00 1.34 0.00 0.00 72.50 71.20 1mut s THR 45 CO 0.09 0.00 1.85 1.55 -0.54 0.00 0.00 174.62 177.57 1mut h PRO 46 N 2.00 0.00 0.00 3.99 0.13 -1.99 -3.29 132.00 132.84 1mut h PRO 46 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1mut h PRO 46 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1mut h PRO 46 CO 0.40 0.01 -0.08 0.39 -0.23 0.00 0.00 178.00 178.49 1mut n GLU 47 N -3.10 0.00 -0.46 0.86 4.71 -1.26 -4.45 120.64 116.94 1mut n GLU 47 Ca 0.02 0.00 0.39 0.00 -0.01 0.00 0.00 57.16 57.55 1mut n GLU 47 Cb 0.39 -0.40 0.70 0.00 -1.01 0.00 0.00 31.44 31.12 1mut n GLU 47 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1mut h GLN 48 N 0.00 0.08 0.00 3.49 4.15 -1.89 1.57 115.11 122.51 1mut h GLN 48 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1mut h GLN 48 Cb 0.08 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1mut h GLN 48 CO 0.00 0.05 -0.13 0.00 -1.93 0.00 0.00 178.83 176.83 1mut h ALA 49 N 1.41 0.01 -0.04 3.38 0.00 -1.72 -3.34 119.26 118.97 1mut h ALA 49 Ca 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1mut h ALA 49 Cb 2.65 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.54 1mut h ALA 49 CO -0.19 0.10 0.00 1.55 0.00 0.00 0.00 179.25 180.71 1mut n VAL 50 N -4.70 0.05 0.09 0.00 3.14 -0.49 -2.96 118.33 113.46 1mut n VAL 50 Ca -0.05 -0.07 -0.20 0.00 -2.96 0.00 0.00 64.34 61.06 1mut n VAL 50 Cb 0.18 -0.13 -0.15 0.00 -1.06 0.00 0.00 33.84 32.68 1mut n VAL 50 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 1mut h VAL 51 N 0.43 1.19 -0.01 1.55 3.04 0.21 -3.16 116.25 119.50 1mut h VAL 51 Ca 0.00 -2.75 -0.16 0.00 -1.01 0.00 0.00 66.70 62.77 1mut h VAL 51 Cb 0.09 2.87 -0.02 0.00 -2.01 0.00 0.00 31.29 32.22 1mut h VAL 51 CO 0.00 0.84 -0.75 0.03 -1.01 0.00 0.00 177.57 176.68 1mut h ARG 52 N 0.10 0.08 0.00 4.17 2.47 -1.64 -2.66 114.38 116.89 1mut h ARG 52 Ca -0.25 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1mut h ARG 52 Cb 2.07 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.41 1mut h ARG 52 CO 0.20 0.79 0.00 0.39 0.56 0.00 0.00 179.97 181.92 1mut n GLU 53 N -3.69 0.17 0.01 0.04 -0.58 -1.19 -1.09 120.64 114.30 1mut n GLU 53 Ca -0.02 0.14 -0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1mut n GLU 53 Cb 0.72 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1mut n GLU 53 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mut h LEU 54 N 0.00 -0.04 0.00 -4.62 7.12 -1.44 -3.37 115.31 112.97 1mut h LEU 54 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1mut h LEU 54 Cb 0.21 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1mut h LEU 54 CO 0.00 0.05 -0.20 1.56 -0.13 0.00 0.00 178.44 179.72 1mut h GLN 55 N -0.20 0.00 -0.82 1.25 4.20 -1.67 0.11 115.11 117.98 1mut h GLN 55 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mut h GLN 55 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1mut h GLN 55 CO 0.01 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.56 1mut n GLU 56 N -2.63 1.05 0.08 1.46 -0.58 -0.25 -4.33 120.64 115.45 1mut n GLU 56 Ca 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1mut n GLU 56 Cb 0.49 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1mut n GLU 56 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mut n GLU 57 N -0.08 0.00 0.00 3.49 -0.58 -1.24 -4.95 120.64 117.29 1mut n GLU 57 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1mut n GLU 57 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 1mut n GLU 57 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mut n VAL 58 N -2.96 0.00 -2.13 2.62 0.24 -1.21 -5.00 118.33 109.89 1mut n VAL 58 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1mut n VAL 58 Cb 0.00 -0.66 0.01 0.00 -1.47 0.00 0.00 33.84 31.71 1mut n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mut n GLY 59 N 2.56 -0.49 3.99 7.63 0.00 0.39 -4.86 105.19 114.41 1mut n GLY 59 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1mut n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mut s ILE 60 N -3.04 2.69 -0.64 -0.61 -4.36 -1.26 -4.87 121.20 109.12 1mut s ILE 60 Ca 0.04 -0.78 -0.02 0.00 -0.26 0.00 0.00 60.65 59.64 1mut s ILE 60 Cb -0.01 -2.91 0.16 0.00 1.25 0.00 0.00 42.46 40.95 1mut s ILE 60 CO 0.29 0.00 0.46 -0.89 0.24 0.00 0.00 174.94 175.04 1mut s THR 61 N -2.67 3.67 0.22 8.37 2.01 -0.21 -4.77 115.64 122.26 1mut s THR 61 Ca 0.58 -3.09 -0.32 0.00 0.31 0.00 0.00 61.69 59.16 1mut s THR 61 Cb -0.10 -3.39 -0.12 0.00 0.01 0.00 0.00 72.50 68.90 1mut s THR 61 CO 0.37 -0.89 1.68 -0.81 -0.69 0.00 0.00 174.62 174.28 1mut n PRO 62 N 3.32 2.69 -0.09 4.92 -0.04 -1.26 -0.08 135.00 144.46 1mut n PRO 62 Ca 0.09 0.97 -0.14 0.00 -0.04 0.00 0.00 63.50 64.38 1mut n PRO 62 Cb 0.37 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1mut n PRO 62 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1mut n GLN 63 N 3.52 0.52 -3.58 0.54 6.02 -0.92 -4.88 117.38 118.59 1mut n GLN 63 Ca 0.15 0.47 -0.21 0.00 -0.01 0.00 0.00 57.00 57.39 1mut n GLN 63 Cb 0.35 -1.65 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 1mut n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1mut s HIS 64 N -2.41 -0.04 0.32 1.08 5.04 -1.25 -5.01 115.29 113.02 1mut s HIS 64 Ca -0.24 0.06 0.04 0.00 -1.54 0.00 0.00 55.06 53.38 1mut s HIS 64 Cb 0.05 -0.49 -0.04 0.00 0.04 0.00 0.00 32.58 32.14 1mut s HIS 64 CO 0.40 -0.48 0.16 -0.59 -2.34 0.00 0.00 174.74 171.90 1mut s PHE 65 N 2.23 1.65 0.33 3.88 -0.12 -1.26 -1.09 117.98 123.60 1mut s PHE 65 Ca 0.04 -1.38 -0.16 0.00 -0.05 0.00 0.00 56.93 55.38 1mut s PHE 65 Cb -0.15 -0.89 0.06 0.00 -0.63 0.00 0.00 43.02 41.41 1mut s PHE 65 CO -0.09 -0.51 0.84 0.43 -0.05 0.00 0.00 175.22 175.84 1mut n SER 66 N -1.03 -2.11 -4.32 1.98 7.64 -0.58 -4.92 113.62 110.28 1mut n SER 66 Ca 0.01 -2.38 -0.40 0.00 1.01 0.00 0.00 58.87 57.11 1mut n SER 66 Cb 0.65 3.49 -0.11 0.00 -1.01 0.00 0.00 64.21 67.23 1mut n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1mut s LEU 67 N 0.00 4.89 0.00 -3.43 2.96 -1.26 -1.21 118.68 120.62 1mut s LEU 67 Ca 0.18 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.83 1mut s LEU 67 Cb -0.04 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1mut s LEU 67 CO 0.10 -0.45 0.32 0.33 -1.32 0.00 0.00 176.35 175.33 1mut n PHE 68 N 4.94 0.00 -4.10 5.38 7.35 -1.22 -4.85 117.46 124.97 1mut n PHE 68 Ca -0.11 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.44 1mut n PHE 68 Cb 0.44 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.22 1mut n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1mut s GLU 69 N -0.65 1.73 -0.05 -4.13 2.56 -1.24 -5.05 118.70 111.86 1mut s GLU 69 Ca 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 54.97 53.33 1mut s GLU 69 Cb 0.00 0.42 0.02 0.00 2.00 0.00 0.00 34.13 36.57 1mut s GLU 69 CO 0.00 -0.69 -0.07 0.21 -0.56 0.00 0.00 175.26 174.15 1mut s LYS 70 N -3.44 1.14 0.36 4.30 2.20 -1.26 -3.79 119.74 119.25 1mut s LYS 70 Ca 0.31 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1mut s LYS 70 Cb 0.01 -1.06 -0.00 0.00 -1.51 0.00 0.00 37.83 35.26 1mut s LYS 70 CO 0.17 -0.06 0.01 1.47 -0.36 0.00 0.00 175.35 176.58 1mut n LEU 71 N 4.04 0.00 -3.46 5.43 -0.00 -1.26 -5.05 117.00 116.71 1mut n LEU 71 Ca -0.23 -2.28 -0.12 0.00 -0.00 0.00 0.00 56.01 53.37 1mut n LEU 71 Cb 0.51 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 44.20 1mut n LEU 71 CO 0.23 -0.33 0.37 -1.83 -0.00 0.00 0.00 177.39 175.84 1mut s GLU 72 N -3.30 1.23 -0.02 1.47 4.04 -1.26 -4.36 118.70 116.50 1mut s GLU 72 Ca 0.01 -0.42 -0.09 0.00 0.04 0.00 0.00 54.97 54.52 1mut s GLU 72 Cb 0.00 0.56 0.01 0.00 0.02 0.00 0.00 34.13 34.73 1mut s GLU 72 CO 0.01 -0.52 0.19 -0.47 -1.84 0.00 0.00 175.26 172.64 1mut s TYR 73 N -3.47 -0.08 -0.09 4.83 6.14 -1.20 -5.02 117.35 118.46 1mut s TYR 73 Ca -0.00 0.14 -0.03 0.00 0.64 0.00 0.00 57.07 57.82 1mut s TYR 73 Cb -0.01 0.02 0.04 0.00 0.42 0.00 0.00 41.96 42.43 1mut s TYR 73 CO -0.10 -0.26 0.09 -2.00 0.64 0.00 0.00 175.55 173.92 1mut s GLU 74 N -0.95 -0.01 0.79 4.97 2.12 -1.26 -2.83 118.70 121.52 1mut s GLU 74 Ca -0.10 0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.40 1mut s GLU 74 Cb -0.05 -0.88 0.11 0.00 0.26 0.00 0.00 34.13 33.57 1mut s GLU 74 CO 0.02 -0.44 1.12 -0.06 -0.54 0.00 0.00 175.26 175.36 1mut s PHE 75 N 2.19 2.42 -0.48 5.30 0.40 -1.16 -4.91 117.98 121.75 1mut s PHE 75 Ca 0.04 0.37 0.13 0.00 -0.60 0.00 0.00 56.93 56.87 1mut s PHE 75 Cb -0.13 -3.45 0.69 0.00 0.51 0.00 0.00 43.02 40.64 1mut s PHE 75 CO -0.05 -1.82 1.38 -2.30 0.70 0.00 0.00 175.22 173.12 1mut n PRO 76 N -3.19 0.08 -0.23 0.24 -0.02 -1.26 -3.45 135.00 127.17 1mut n PRO 76 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1mut n PRO 76 Cb 0.60 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1mut n PRO 76 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1mut n ASP 77 N -1.94 0.00 -2.17 2.55 5.75 -1.26 -5.15 116.55 114.33 1mut n ASP 77 Ca -0.01 -0.74 -0.08 0.00 -0.01 0.00 0.00 54.79 53.95 1mut n ASP 77 Cb 0.05 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1mut n ASP 77 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mut n ARG 78 N 0.00 0.79 -3.77 0.11 5.12 -1.22 -4.01 116.66 113.67 1mut n ARG 78 Ca 0.00 -1.04 -0.13 0.00 -1.93 0.00 0.00 57.85 54.75 1mut n ARG 78 Cb 0.37 0.59 -0.12 0.00 -1.16 0.00 0.00 32.46 32.13 1mut n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1mut s HIS 79 N -2.03 -0.27 -0.41 -1.55 3.76 -1.26 -2.97 115.29 110.56 1mut s HIS 79 Ca 0.07 0.66 0.04 0.00 -0.15 0.00 0.00 55.06 55.68 1mut s HIS 79 Cb 0.00 0.07 0.17 0.00 1.11 0.00 0.00 32.58 33.93 1mut s HIS 79 CO 0.05 -0.16 0.34 0.42 -0.85 0.00 0.00 174.74 174.54 1mut s ILE 80 N 0.50 0.32 -0.02 0.60 -1.09 -1.13 -3.78 121.20 116.60 1mut s ILE 80 Ca -0.03 -2.62 -0.26 0.00 -2.23 0.00 0.00 60.65 55.51 1mut s ILE 80 Cb -0.05 -1.24 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 1mut s ILE 80 CO -0.03 -1.23 0.82 -0.89 -1.23 0.00 0.00 174.94 172.39 1mut s THR 81 N 0.09 4.93 -0.14 2.92 2.01 -0.96 -3.26 115.64 121.24 1mut s THR 81 Ca 0.33 1.72 -0.03 0.00 0.31 0.00 0.00 61.69 64.02 1mut s THR 81 Cb 0.03 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1mut s THR 81 CO -0.19 0.23 0.04 -0.22 -0.69 0.00 0.00 174.62 173.79 1mut s LEU 82 N 0.78 0.69 0.55 4.42 1.98 -1.26 -2.66 118.68 123.18 1mut s LEU 82 Ca 0.44 -0.48 -0.15 0.00 -2.89 0.00 0.00 54.13 51.04 1mut s LEU 82 Cb -0.19 -0.41 -0.07 0.00 0.66 0.00 0.00 46.19 46.18 1mut s LEU 82 CO 0.23 -0.28 1.00 0.26 -1.89 0.00 0.00 176.35 175.66 1mut s TRP 83 N 2.00 3.49 -0.45 5.38 0.23 -1.23 -4.16 118.94 124.21 1mut s TRP 83 Ca 0.02 1.42 0.07 0.00 -2.03 0.00 0.00 56.10 55.58 1mut s TRP 83 Cb -0.15 -2.78 0.24 0.00 0.03 0.00 0.00 33.47 30.81 1mut s TRP 83 CO -0.07 -0.48 0.55 1.19 0.96 0.00 0.00 176.95 179.10 1mut n PHE 84 N -1.92 0.40 -3.01 -1.98 3.01 -1.25 -4.46 117.46 108.25 1mut n PHE 84 Ca 0.06 -3.66 -0.36 0.00 1.01 0.00 0.00 57.45 54.50 1mut n PHE 84 Cb 0.54 -0.34 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 1mut n PHE 84 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1mut s TRP 85 N -1.32 3.62 -0.05 1.38 -0.11 -1.26 -3.39 118.94 117.82 1mut s TRP 85 Ca 0.36 1.48 0.00 0.00 1.22 0.00 0.00 56.10 59.16 1mut s TRP 85 Cb 0.15 -2.70 0.02 0.00 -1.50 0.00 0.00 33.47 29.45 1mut s TRP 85 CO -0.10 0.27 -0.03 -1.17 -4.62 0.00 0.00 176.95 171.29 1mut s LEU 86 N -2.13 1.15 0.00 5.86 2.96 -0.35 -1.50 118.68 124.67 1mut s LEU 86 Ca 0.46 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1mut s LEU 86 Cb -0.16 -0.44 0.06 0.00 0.50 0.00 0.00 46.19 46.15 1mut s LEU 86 CO 0.21 -0.09 0.43 1.33 -1.32 0.00 0.00 176.35 176.91 1mut n VAL 87 N 4.32 0.00 0.00 1.68 0.24 -1.24 -1.52 118.33 121.80 1mut n VAL 87 Ca -0.21 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1mut n VAL 87 Cb 0.51 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1mut n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mut n GLU 88 N -1.72 2.70 -3.79 7.34 1.02 -0.25 -4.16 120.64 121.79 1mut n GLU 88 Ca 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1mut n GLU 88 Cb 0.30 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 1mut n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1mut s ARG 89 N -1.67 1.52 0.00 3.49 3.03 -1.18 -3.75 118.95 120.38 1mut s ARG 89 Ca 0.00 -0.82 0.00 0.00 2.03 0.00 0.00 55.73 56.94 1mut s ARG 89 Cb 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 34.95 34.45 1mut s ARG 89 CO 0.00 -0.69 0.00 -2.67 -1.13 0.00 0.00 175.30 170.81 1mut n TRP 90 N -0.46 -0.74 -3.74 5.89 2.14 -1.26 -2.16 117.44 117.12 1mut n TRP 90 Ca -0.05 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.22 1mut n TRP 90 Cb 0.60 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.95 1mut n TRP 90 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1mut s GLU 91 N -1.95 0.78 0.00 -2.67 2.12 0.89 -4.73 118.70 113.15 1mut s GLU 91 Ca 0.00 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.15 1mut s GLU 91 Cb 0.00 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.33 1mut s GLU 91 CO 0.00 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1mut n GLY 92 N 4.71 0.53 3.69 -1.50 0.00 -1.26 -1.05 105.19 110.32 1mut n GLY 92 Ca -0.01 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1mut n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mut s GLU 93 N -0.89 4.12 0.45 1.61 2.56 -1.26 -5.00 118.70 120.29 1mut s GLU 93 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 54.97 54.49 1mut s GLU 93 Cb 0.00 -3.49 -0.10 0.00 2.00 0.00 0.00 34.13 32.54 1mut s GLU 93 CO 0.00 0.16 0.94 -2.30 -0.56 0.00 0.00 175.26 173.50 1mut n PRO 94 N 3.97 1.19 -3.06 4.30 -0.01 -1.26 -4.56 135.00 135.57 1mut n PRO 94 Ca -0.15 0.43 -0.16 0.00 -0.01 0.00 0.00 63.50 63.60 1mut n PRO 94 Cb 0.52 -2.00 -0.01 0.00 -0.01 0.00 0.00 33.50 32.00 1mut n PRO 94 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 175.50 172.82 1mut n TRP 95 N -0.74 -0.44 0.00 6.00 4.27 -1.26 -4.83 117.44 120.44 1mut n TRP 95 Ca 0.10 -1.37 0.00 0.00 -3.89 0.00 0.00 57.50 52.34 1mut n TRP 95 Cb 0.41 -0.24 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 1mut n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1mut n GLY 96 N 1.30 0.28 3.92 -1.67 0.00 -1.26 -4.86 105.19 102.90 1mut n GLY 96 Ca -0.05 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1mut n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mut s LYS 97 N 0.00 2.54 0.40 1.61 2.36 -1.26 -0.43 119.74 124.96 1mut s LYS 97 Ca 0.00 -1.54 0.28 0.00 -2.55 0.00 0.00 55.97 52.16 1mut s LYS 97 Cb 0.00 -2.44 1.40 0.00 -1.05 0.00 0.00 37.83 35.73 1mut s LYS 97 CO 0.00 -0.30 1.52 -1.91 1.55 0.00 0.00 175.35 176.21 1mut n GLU 98 N -1.68 -0.04 -0.08 4.03 4.07 -1.26 -4.50 120.64 121.17 1mut n GLU 98 Ca 0.05 1.25 0.00 0.00 -0.06 0.00 0.00 57.16 58.40 1mut n GLU 98 Cb 0.61 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1mut n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mut n GLY 99 N -1.42 6.92 2.06 8.31 0.00 -1.26 -4.98 105.19 114.82 1mut n GLY 99 Ca 0.38 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 1mut n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mut n GLN 100 N 0.00 3.52 0.00 1.61 0.00 -1.26 -4.54 117.38 116.71 1mut n GLN 100 Ca 0.00 -4.08 0.06 0.00 0.00 0.00 0.00 57.00 52.98 1mut n GLN 100 Cb 0.00 -2.28 0.30 0.00 0.00 0.00 0.00 30.24 28.25 1mut n GLN 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1mut n PRO 101 N -0.73 0.13 -0.96 2.61 -0.04 -1.26 -4.84 135.00 129.91 1mut n PRO 101 Ca 0.46 0.20 -0.36 0.00 -0.04 0.00 0.00 63.50 63.76 1mut n PRO 101 Cb 0.93 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.94 1mut n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mut n GLY 102 N -0.25 -3.81 3.25 0.55 0.00 -1.25 -4.85 105.19 98.83 1mut n GLY 102 Ca 0.05 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1mut n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mut s GLU 103 N -2.23 3.00 -0.84 1.61 1.03 0.35 -4.86 118.70 116.75 1mut s GLU 103 Ca 0.41 -0.86 -0.25 0.00 0.03 0.00 0.00 54.97 54.30 1mut s GLU 103 Cb -0.09 -2.32 0.03 0.00 -0.80 0.00 0.00 34.13 30.95 1mut s GLU 103 CO 0.76 0.23 1.45 -1.58 -1.33 0.00 0.00 175.26 174.78 1mut s TRP 104 N 0.24 2.27 0.00 4.83 0.51 -1.26 -1.16 118.94 124.37 1mut s TRP 104 Ca -0.15 -0.19 0.00 0.00 -2.12 0.00 0.00 56.10 53.64 1mut s TRP 104 Cb -0.17 -4.56 0.00 0.00 -0.81 0.00 0.00 33.47 27.93 1mut s TRP 104 CO 0.08 -2.03 0.00 -0.12 -0.51 0.00 0.00 176.95 174.37 1mut n MET 105 N 9.15 0.77 -4.03 4.98 1.56 -0.31 -4.83 117.12 124.42 1mut n MET 105 Ca 0.18 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.53 1mut n MET 105 Cb 0.50 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.77 1mut n MET 105 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1mut s SER 106 N -1.00 0.37 -0.75 6.12 0.15 -1.26 -3.23 113.70 114.11 1mut s SER 106 Ca 0.00 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 55.84 1mut s SER 106 Cb 0.00 0.21 0.31 0.00 -1.71 0.00 0.00 66.02 64.83 1mut s SER 106 CO 0.00 -0.57 1.17 0.18 1.20 0.00 0.00 173.24 175.22 1mut n LEU 107 N 0.36 5.21 -0.05 3.45 4.77 -1.01 -4.66 117.00 125.07 1mut n LEU 107 Ca -0.16 -5.53 -0.02 0.00 -0.03 0.00 0.00 56.01 50.27 1mut n LEU 107 Cb 0.60 -0.79 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1mut n LEU 107 CO 0.26 2.16 -0.91 0.55 -1.33 0.00 0.00 177.39 178.12 1mut n VAL 108 N 0.17 0.71 -2.63 4.08 3.14 -1.26 -4.80 118.33 117.74 1mut n VAL 108 Ca 0.34 -0.58 -0.03 0.00 -2.96 0.00 0.00 64.34 61.12 1mut n VAL 108 Cb 0.36 -0.34 0.07 0.00 -1.06 0.00 0.00 33.84 32.86 1mut n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mut n GLY 109 N 1.85 0.61 3.43 7.55 0.00 -1.26 -5.13 105.19 112.24 1mut n GLY 109 Ca -0.18 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1mut n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mut n LEU 110 N -0.78 -0.39 0.00 0.99 4.77 -1.26 -4.88 117.00 115.44 1mut n LEU 110 Ca -0.12 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1mut n LEU 110 Cb 0.73 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1mut n LEU 110 CO -0.09 -3.06 0.43 -3.20 -1.33 0.00 0.00 177.39 170.14 1mut n ASN 111 N 1.41 1.47 -1.33 -1.43 5.15 -1.26 -4.93 115.26 114.34 1mut n ASN 111 Ca 0.12 -1.74 -0.13 0.00 -0.60 0.00 0.00 54.58 52.23 1mut n ASN 111 Cb 0.40 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.59 1mut n ASN 111 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mut n ALA 112 N -0.37 -0.19 -0.11 5.20 0.00 -1.26 -4.72 120.51 119.06 1mut n ALA 112 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1mut n ALA 112 Cb 0.32 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 1mut n ALA 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mut n ASP 113 N -0.47 1.03 0.00 0.00 2.03 -1.26 -4.09 116.55 113.79 1mut n ASP 113 Ca -0.13 -0.06 0.13 0.00 0.52 0.00 0.00 54.79 55.25 1mut n ASP 113 Cb 0.43 0.37 0.69 0.00 -0.72 0.00 0.00 41.12 41.90 1mut n ASP 113 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mut n ASP 114 N -2.94 0.00 -4.48 1.67 8.00 -1.26 -4.53 116.55 113.00 1mut n ASP 114 Ca -0.37 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 1mut n ASP 114 Cb 1.06 -0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.89 1mut n ASP 114 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1mut s PHE 115 N -2.37 3.16 0.77 1.24 0.08 -1.26 -3.03 117.98 116.58 1mut s PHE 115 Ca 0.30 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 1mut s PHE 115 Cb 0.17 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 1mut s PHE 115 CO 0.36 -0.71 0.39 -2.30 -0.10 0.00 0.00 175.22 172.86 1mut n PRO 116 N 5.64 0.17 -1.67 0.24 -0.02 -1.25 -4.81 135.00 133.30 1mut n PRO 116 Ca -0.07 0.09 -0.44 0.00 -2.02 0.00 0.00 63.50 61.07 1mut n PRO 116 Cb 0.47 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1mut n PRO 116 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1mut n PRO 117 N -0.58 2.65 0.00 0.52 -0.02 -1.26 -3.94 135.00 132.37 1mut n PRO 117 Ca 0.09 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1mut n PRO 117 Cb 0.51 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1mut n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mut n ALA 118 N 6.85 0.00 -1.92 3.55 0.00 -1.26 -4.97 120.51 122.76 1mut n ALA 118 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1mut n ALA 118 Cb 0.37 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.85 1mut n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mut n ASN 119 N 0.00 5.55 -0.18 0.00 5.03 -1.25 -4.79 115.26 119.62 1mut n ASN 119 Ca 0.00 -3.76 -0.10 0.00 0.87 0.00 0.00 54.58 51.59 1mut n ASN 119 Cb 0.00 -0.50 0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1mut n ASN 119 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1mut h GLU 120 N 2.21 0.92 -0.05 3.52 5.08 -1.93 0.76 114.58 125.08 1mut h GLU 120 Ca 0.42 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1mut h GLU 120 Cb 1.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1mut h GLU 120 CO 0.96 0.96 -0.37 -1.00 -1.00 0.00 0.00 179.01 178.56 1mut h PRO 121 N 0.78 0.09 0.04 2.33 0.14 -1.99 -0.89 132.00 132.49 1mut h PRO 121 Ca 0.14 -0.04 -0.37 0.00 0.14 0.00 0.00 66.00 65.87 1mut h PRO 121 Cb 0.56 -0.00 -0.05 0.00 0.14 0.00 0.00 31.00 31.65 1mut h PRO 121 CO 0.03 0.45 -2.14 0.28 0.14 0.00 0.00 178.00 176.76 1mut n VAL 122 N -4.09 1.59 0.12 1.56 0.31 -1.20 -3.87 118.33 112.76 1mut n VAL 122 Ca -0.02 -0.46 0.16 0.00 -0.01 0.00 0.00 64.34 64.01 1mut n VAL 122 Cb 0.42 -1.72 0.71 0.00 -0.91 0.00 0.00 33.84 32.34 1mut n VAL 122 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1mut h ILE 123 N -0.36 0.75 -0.05 2.52 1.08 -0.89 -0.68 117.51 119.88 1mut h ILE 123 Ca -0.52 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 63.76 1mut h ILE 123 Cb 1.78 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1mut h ILE 123 CO -0.13 0.00 -0.79 0.00 -0.69 0.00 0.00 178.15 176.54 1mut h ALA 124 N 1.82 0.53 0.00 1.87 0.00 -1.30 -2.69 119.26 119.49 1mut h ALA 124 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1mut h ALA 124 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1mut h ALA 124 CO -0.00 0.78 -0.02 0.87 0.00 0.00 0.00 179.25 180.89 1mut h LYS 125 N 0.26 0.00 -1.00 0.00 6.56 -1.26 -3.33 116.57 117.80 1mut h LYS 125 Ca -0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1mut h LYS 125 Cb 1.38 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.03 1mut h LYS 125 CO 0.14 0.00 0.02 1.47 -2.06 0.00 0.00 179.45 179.02 1mut n LEU 126 N -4.30 2.65 0.11 2.94 -0.00 -0.74 -3.85 117.00 113.82 1mut n LEU 126 Ca -0.00 -1.33 -0.03 0.00 -0.00 0.00 0.00 56.01 54.65 1mut n LEU 126 Cb 0.01 -0.51 0.17 0.00 -0.00 0.00 0.00 43.42 43.09 1mut n LEU 126 CO 0.00 0.46 0.53 0.07 -0.00 0.00 0.00 177.39 178.45 1mut h LYS 127 N 0.08 0.13 -1.12 1.47 5.09 -1.59 -3.16 116.57 117.47 1mut h LYS 127 Ca 0.02 -0.08 -0.57 0.00 0.09 0.00 0.00 60.65 60.10 1mut h LYS 127 Cb 0.95 0.01 -0.42 0.00 0.10 0.00 0.00 32.23 32.86 1mut h LYS 127 CO 0.04 0.66 -0.74 2.89 -2.09 0.00 0.00 179.45 180.21 1mut n ARG 128 N -3.89 3.51 0.00 0.07 1.85 -1.25 -4.45 116.66 112.51 1mut n ARG 128 Ca -0.02 -4.31 0.00 0.00 -1.00 0.00 0.00 57.85 52.52 1mut n ARG 128 Cb 0.58 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1mut n ARG 128 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90