#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1s s LYS 3 N 0.00 4.35 -0.15 -0.14 -0.14 -1.26 -2.79 119.74 119.62 2c1s s LYS 3 Ca 0.00 2.10 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 2c1s s LYS 3 Cb 0.00 -3.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2c1s s LYS 3 CO 0.00 -0.32 0.00 0.00 -0.76 0.00 0.00 175.35 174.27 2c1s n GLU 5 N -2.03 2.45 -0.00 0.00 2.13 -1.12 -4.89 120.64 117.18 2c1s n GLU 5 Ca -0.01 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2c1s n GLU 5 Cb 0.16 -2.71 0.31 0.00 0.27 0.00 0.00 31.44 29.47 2c1s n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2c1s h LEU 6 N 7.10 0.49 -9.51 4.31 3.38 -1.93 -3.44 115.31 115.71 2c1s h LEU 6 Ca -0.45 -0.08 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 2c1s h LEU 6 Cb 1.24 -0.13 0.08 0.00 0.09 0.00 0.00 40.66 41.94 2c1s h LEU 6 CO 0.93 0.53 0.52 1.67 0.09 0.00 0.00 178.44 182.17 2c1s n GLN 7 N -4.30 1.77 0.00 1.13 7.27 -1.26 -4.51 117.38 117.48 2c1s n GLN 7 Ca 0.02 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.72 2c1s n GLN 7 Cb 0.22 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.63 2c1s n GLN 7 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2c1s n GLY 8 N 2.15 0.66 3.46 1.69 0.00 -0.58 -4.93 105.19 107.65 2c1s n GLY 8 Ca 0.13 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 2c1s n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1s s LEU 9 N 0.00 3.11 0.14 0.99 1.43 -1.26 -0.76 118.68 122.32 2c1s s LEU 9 Ca 0.00 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2c1s s LEU 9 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2c1s s LEU 9 CO 0.00 0.16 -0.13 0.26 0.23 0.00 0.00 176.35 176.88 2c1s s TRP 10 N 0.39 1.36 -0.03 0.29 0.52 0.14 -1.01 118.94 120.60 2c1s s TRP 10 Ca -0.06 -0.62 -0.02 0.00 0.02 0.00 0.00 56.10 55.42 2c1s s TRP 10 Cb -0.15 -0.70 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2c1s s TRP 10 CO 0.04 0.14 0.07 0.50 0.02 0.00 0.00 176.95 177.71 2c1s s ARG 11 N -3.08 0.07 0.50 4.98 3.52 0.27 -1.42 118.95 123.78 2c1s s ARG 11 Ca 0.12 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.93 2c1s s ARG 11 Cb -0.02 -0.02 0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2c1s s ARG 11 CO 0.02 -0.04 0.52 0.54 -0.81 0.00 0.00 175.30 175.53 2c1s s ASN 12 N 0.28 4.99 0.60 -2.12 2.20 -0.26 0.00 114.94 120.64 2c1s s ASN 12 Ca -0.02 -0.90 0.39 0.00 -0.94 0.00 0.00 52.86 51.39 2c1s s ASN 12 Cb -0.03 -0.02 1.92 0.00 -2.00 0.00 0.00 41.25 41.12 2c1s s ASN 12 CO -0.01 -1.00 2.18 1.05 -2.94 0.00 0.00 177.10 176.38 2c1s h GLU 13 N 0.66 0.00 -0.00 3.55 9.09 -1.86 -0.28 114.58 125.74 2c1s h GLU 13 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 2c1s h GLU 13 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2c1s h GLU 13 CO 0.51 0.00 -0.15 1.28 0.05 0.00 0.00 179.01 180.71 2c1s n LEU 14 N -3.05 0.21 0.00 3.06 4.77 -1.26 -4.91 117.00 115.82 2c1s n LEU 14 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2c1s n LEU 14 Cb 0.18 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2c1s n LEU 14 CO 0.23 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2c1s n GLY 15 N 1.44 0.75 3.78 -0.72 0.00 -0.11 -4.70 105.19 105.63 2c1s n GLY 15 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2c1s n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c1s s SER 16 N -2.49 6.18 0.06 1.61 0.01 -1.26 -4.47 113.70 113.35 2c1s s SER 16 Ca 0.00 2.19 0.09 0.00 1.31 0.00 0.00 55.95 59.55 2c1s s SER 16 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2c1s s SER 16 CO 0.00 -0.90 -0.26 0.20 0.41 0.00 0.00 173.24 172.69 2c1s s ASN 17 N -1.55 3.09 -0.02 2.44 0.01 -0.33 -1.10 114.94 117.49 2c1s s ASN 17 Ca 0.65 -0.62 -0.05 0.00 -0.71 0.00 0.00 52.86 52.14 2c1s s ASN 17 Cb -0.25 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.15 2c1s s ASN 17 CO 0.30 0.22 0.10 0.00 -1.51 0.00 0.00 177.10 176.22 2c1s s MET 18 N -1.42 0.30 -0.13 -0.60 0.23 -0.51 0.31 119.30 117.48 2c1s s MET 18 Ca 0.11 -0.18 -0.00 0.00 -1.03 0.00 0.00 55.69 54.60 2c1s s MET 18 Cb -0.10 0.13 -0.01 0.00 -1.53 0.00 0.00 34.83 33.31 2c1s s MET 18 CO 0.03 -0.06 -0.13 0.99 -2.03 0.00 0.00 175.02 173.82 2c1s s THR 19 N -0.74 3.01 -0.09 3.16 2.01 0.19 -0.68 115.64 122.50 2c1s s THR 19 Ca -0.08 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 2c1s s THR 19 Cb -0.05 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2c1s s THR 19 CO 0.01 0.52 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 2c1s s ILE 20 N 0.39 3.73 0.99 1.82 1.01 0.06 -1.37 121.20 127.84 2c1s s ILE 20 Ca -0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 2c1s s ILE 20 Cb -0.16 -2.56 0.18 0.00 0.01 0.00 0.00 42.46 39.94 2c1s s ILE 20 CO 0.05 0.57 1.14 -0.94 0.00 0.00 0.00 174.94 175.77 2c1s s SER 21 N -0.48 2.76 0.71 3.58 1.04 0.58 -1.53 113.70 120.36 2c1s s SER 21 Ca 0.07 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.22 2c1s s SER 21 Cb -0.12 -1.35 0.03 0.00 0.10 0.00 0.00 66.02 64.67 2c1s s SER 21 CO 0.02 -3.01 1.21 0.00 0.98 0.00 0.00 173.24 172.44 2c1s s ALA 22 N -3.22 2.20 0.12 5.32 0.00 -1.26 -4.13 121.76 120.78 2c1s s ALA 22 Ca 0.67 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 2c1s s ALA 22 Cb -0.14 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2c1s s ALA 22 CO 0.55 -1.75 1.01 -0.51 0.00 0.00 0.00 175.76 175.06 2c1s s LEU 23 N -4.98 4.48 1.27 0.00 1.02 -1.26 -4.64 118.68 114.58 2c1s s LEU 23 Ca 0.75 1.88 -0.20 0.00 0.02 0.00 0.00 54.13 56.57 2c1s s LEU 23 Cb -0.29 -3.59 0.31 0.00 0.02 0.00 0.00 46.19 42.64 2c1s s LEU 23 CO 0.43 -0.14 1.04 -1.81 0.02 0.00 0.00 176.35 175.90 2c1s s ASP 24 N 0.07 0.28 0.35 2.29 1.01 0.32 -4.87 116.67 116.12 2c1s s ASP 24 Ca 0.48 0.76 0.02 0.00 0.71 0.00 0.00 52.55 54.53 2c1s s ASP 24 Cb -0.25 -1.09 0.62 0.00 1.01 0.00 0.00 42.92 43.22 2c1s s ASP 24 CO 0.31 -4.53 2.00 0.58 0.21 0.00 0.00 175.17 173.74 2c1s h VAL 25 N -2.86 1.16 -0.05 -1.27 2.07 -1.97 -1.56 116.25 111.78 2c1s h VAL 25 Ca -0.46 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2c1s h VAL 25 Cb 1.31 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2c1s h VAL 25 CO 0.34 0.16 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2c1s n ALA 26 N -2.44 2.50 -1.00 1.67 0.00 -1.26 -4.86 120.51 115.12 2c1s n ALA 26 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 2c1s n ALA 26 Cb 0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 2c1s n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1s n GLY 27 N 0.60 0.38 3.77 0.00 0.00 -0.59 -4.81 105.19 104.55 2c1s n GLY 27 Ca 0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2c1s n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c1s s THR 28 N -1.76 3.56 0.15 2.61 2.01 -1.26 -0.54 115.64 120.41 2c1s s THR 28 Ca 0.00 1.28 -0.03 0.00 0.31 0.00 0.00 61.69 63.25 2c1s s THR 28 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2c1s s THR 28 CO 0.00 0.09 0.13 0.72 -0.69 0.00 0.00 174.62 174.87 2c1s s PHE 29 N -1.52 0.76 0.39 4.92 -0.12 0.18 -0.52 117.98 122.07 2c1s s PHE 29 Ca 0.55 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 2c1s s PHE 29 Cb -0.26 -0.36 -0.00 0.00 -0.63 0.00 0.00 43.02 41.76 2c1s s PHE 29 CO 0.32 -0.59 0.04 -1.13 -0.05 0.00 0.00 175.22 173.81 2c1s n SER 30 N -0.15 2.46 0.00 1.98 3.41 -1.26 -1.09 113.62 118.97 2c1s n SER 30 Ca -0.05 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2c1s n SER 30 Cb 0.64 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2c1s n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c1s n GLY 31 N -0.05 -1.39 3.07 5.00 0.00 -0.79 -0.31 105.19 110.72 2c1s n GLY 31 Ca -0.13 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 2c1s n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c1s s SER 32 N -2.51 0.88 -0.06 1.61 1.04 -0.47 -1.47 113.70 112.73 2c1s s SER 32 Ca 0.00 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2c1s s SER 32 Cb 0.00 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2c1s s SER 32 CO 0.00 -0.24 -0.07 -0.47 0.98 0.00 0.00 173.24 173.44 2c1s s TYR 33 N -1.67 1.05 -0.56 5.02 5.04 0.14 -0.64 117.35 125.73 2c1s s TYR 33 Ca -0.07 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 2c1s s TYR 33 Cb -0.08 -0.87 0.14 0.00 0.35 0.00 0.00 41.96 41.50 2c1s s TYR 33 CO -0.00 -0.28 0.34 -1.14 -1.34 0.00 0.00 175.55 173.13 2c1s s GLN 34 N 1.06 2.26 0.41 4.97 2.00 0.15 -0.67 119.66 129.84 2c1s s GLN 34 Ca -0.08 -2.48 -0.25 0.00 -2.00 0.00 0.00 55.36 50.54 2c1s s GLN 34 Cb -0.14 -3.54 -0.08 0.00 0.80 0.00 0.00 33.01 30.04 2c1s s GLN 34 CO -0.01 -1.13 1.18 -0.08 -0.50 0.00 0.00 175.29 174.75 2c1s s THR 35 N -0.02 3.10 -0.40 -0.34 -1.32 -1.26 -1.18 115.64 114.22 2c1s s THR 35 Ca 0.16 0.92 0.22 0.00 -1.21 0.00 0.00 61.69 61.78 2c1s s THR 35 Cb -0.22 -3.51 0.30 0.00 -1.51 0.00 0.00 72.50 67.56 2c1s s THR 35 CO -0.02 0.08 1.59 0.00 -2.21 0.00 0.00 174.62 174.06 2c1s h ALA 36 N 2.58 0.96 -2.96 11.08 0.00 -1.84 -3.47 119.26 125.60 2c1s h ALA 36 Ca -0.49 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.03 2c1s h ALA 36 Cb 1.24 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 2c1s h ALA 36 CO 0.62 0.09 -0.74 0.14 0.00 0.00 0.00 179.25 179.36 2c1s s VAL 37 N -3.18 0.87 -0.01 0.00 -7.23 -1.26 -5.00 120.40 104.59 2c1s s VAL 37 Ca 0.07 -1.44 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2c1s s VAL 37 Cb 0.05 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2c1s s VAL 37 CO 0.68 -0.46 0.15 0.28 -0.31 0.00 0.00 175.10 175.44 2c1s s THR 38 N -1.98 0.07 -0.76 5.32 -1.32 -1.26 -5.02 115.64 110.69 2c1s s THR 38 Ca 0.00 -0.59 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 2c1s s THR 38 Cb -0.06 -0.41 0.09 0.00 -1.51 0.00 0.00 72.50 70.61 2c1s s THR 38 CO 0.00 -0.32 1.46 0.00 -2.21 0.00 0.00 174.62 173.55 2c1s n ALA 39 N 1.66 2.92 -1.96 11.08 0.00 -1.26 -4.86 120.51 128.09 2c1s n ALA 39 Ca -0.21 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 52.73 2c1s n ALA 39 Cb 0.56 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.95 2c1s n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c1s s THR 40 N -3.11 2.02 -0.22 0.00 -4.23 -1.26 -5.02 115.64 103.83 2c1s s THR 40 Ca 0.09 -0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.52 2c1s s THR 40 Cb 0.15 -2.78 0.49 0.00 1.34 0.00 0.00 72.50 71.70 2c1s s THR 40 CO 0.68 0.00 1.38 0.59 -0.54 0.00 0.00 174.62 176.74 2c1s n ASN 41 N -3.46 3.67 -4.91 3.99 3.02 -1.26 -5.01 115.26 111.30 2c1s n ASN 41 Ca 0.16 -2.96 -0.27 0.00 -0.03 0.00 0.00 54.58 51.48 2c1s n ASN 41 Cb 0.60 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2c1s n ASN 41 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c1s s LYS 42 N -2.72 3.51 0.18 3.52 -0.14 -1.26 -5.04 119.74 117.78 2c1s s LYS 42 Ca 0.40 0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.88 2c1s s LYS 42 Cb 0.32 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 34.01 2c1s s LYS 42 CO 0.09 -0.22 1.18 -1.14 -0.76 0.00 0.00 175.35 174.50 2c1s s GLN 43 N -4.74 4.50 0.16 1.68 2.00 -1.26 -5.00 119.66 117.00 2c1s s GLN 43 Ca 0.47 1.85 -0.30 0.00 -2.00 0.00 0.00 55.36 55.38 2c1s s GLN 43 Cb -0.10 -3.25 -0.08 0.00 0.80 0.00 0.00 33.01 30.38 2c1s s GLN 43 CO 0.45 -0.07 1.18 0.42 -0.50 0.00 0.00 175.29 176.76 2c1s s ILE 44 N -0.02 3.71 0.01 -2.34 1.01 -1.26 -4.84 121.20 117.47 2c1s s ILE 44 Ca 0.53 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.64 2c1s s ILE 44 Cb -0.32 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2c1s s ILE 44 CO 0.36 0.21 -0.17 -0.76 0.00 0.00 0.00 174.94 174.58 2c1s s LEU 45 N -0.06 2.09 0.18 2.97 1.43 -1.26 -5.09 118.68 118.94 2c1s s LEU 45 Ca 0.53 -0.39 -0.33 0.00 -1.03 0.00 0.00 54.13 52.92 2c1s s LEU 45 Cb -0.31 -0.84 -0.15 0.00 0.03 0.00 0.00 46.19 44.92 2c1s s LEU 45 CO 0.35 0.16 1.22 0.55 0.23 0.00 0.00 176.35 178.86 2c1s n VAL 46 N 2.32 0.87 -4.26 -1.59 3.14 -1.26 -4.50 118.33 113.05 2c1s n VAL 46 Ca -0.16 -0.22 -0.21 0.00 -2.96 0.00 0.00 64.34 60.80 2c1s n VAL 46 Cb 0.54 -0.97 -0.12 0.00 -1.06 0.00 0.00 33.84 32.23 2c1s n VAL 46 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2c1s s SER 47 N 0.07 1.99 0.55 6.55 0.01 0.16 -4.65 113.70 118.39 2c1s s SER 47 Ca 0.73 -0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 2c1s s SER 47 Cb -0.81 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.26 2c1s s SER 47 CO 0.51 -0.00 1.01 -2.16 0.41 0.00 0.00 173.24 173.01 2c1s s PRO 48 N -1.67 3.70 0.08 12.44 0.04 -1.25 0.27 135.00 148.60 2c1s s PRO 48 Ca 0.02 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2c1s s PRO 48 Cb -0.10 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2c1s s PRO 48 CO 0.03 -0.48 -0.11 -0.48 0.04 0.00 0.00 177.00 176.00 2c1s s LEU 49 N -4.36 2.34 -0.05 -3.56 0.05 -0.54 -1.54 118.68 111.02 2c1s s LEU 49 Ca 0.60 -0.71 -0.02 0.00 0.05 0.00 0.00 54.13 54.05 2c1s s LEU 49 Cb -0.12 -0.33 0.03 0.00 -2.05 0.00 0.00 46.19 43.72 2c1s s LEU 49 CO 0.36 -0.20 0.10 -0.54 -0.55 0.00 0.00 176.35 175.52 2c1s s LYS 50 N -2.28 0.05 0.00 1.48 -0.14 -0.59 -1.89 119.74 116.37 2c1s s LYS 50 Ca 0.00 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2c1s s LYS 50 Cb -0.06 -0.17 0.00 0.00 -1.68 0.00 0.00 37.83 35.92 2c1s s LYS 50 CO 0.01 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.86 2c1s n GLY 51 N 4.02 2.48 3.38 -3.33 0.00 -0.25 -0.51 105.19 110.98 2c1s n GLY 51 Ca -0.25 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 2c1s n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1s s ALA 52 N -1.03 -1.23 0.05 4.61 0.00 -0.69 -0.65 121.76 122.82 2c1s s ALA 52 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.11 2c1s s ALA 52 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2c1s s ALA 52 CO 0.00 -0.28 -0.20 -1.14 0.00 0.00 0.00 175.76 174.14 2c1s s GLN 53 N -0.54 1.34 0.63 0.00 0.74 0.30 -1.81 119.66 120.32 2c1s s GLN 53 Ca -0.07 -0.94 -0.17 0.00 0.05 0.00 0.00 55.36 54.24 2c1s s GLN 53 Cb -0.03 -1.45 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 2c1s s GLN 53 CO 0.04 0.37 1.14 -0.65 -0.55 0.00 0.00 175.29 175.64 2c1s s GLN 54 N -1.22 2.84 0.49 1.67 -1.52 -0.23 -4.59 119.66 117.10 2c1s s GLN 54 Ca 0.07 1.57 -0.21 0.00 -1.95 0.00 0.00 55.36 54.84 2c1s s GLN 54 Cb -0.09 -1.94 -0.07 0.00 -0.22 0.00 0.00 33.01 30.69 2c1s s GLN 54 CO 0.02 -1.25 1.10 -1.25 -0.25 0.00 0.00 175.29 173.66 2c1s s PRO 55 N -3.76 3.68 0.49 2.91 0.04 -1.26 -4.74 135.00 132.36 2c1s s PRO 55 Ca 0.71 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 2c1s s PRO 55 Cb -0.24 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2c1s s PRO 55 CO 0.37 -0.56 1.31 -1.25 0.04 0.00 0.00 177.00 176.91 2c1s s PRO 56 N -3.04 3.51 0.00 0.56 0.04 -1.26 -4.82 135.00 129.99 2c1s s PRO 56 Ca 0.67 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2c1s s PRO 56 Cb -0.22 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2c1s s PRO 56 CO 0.26 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2c1s n GLY 57 N 0.63 -0.40 0.20 0.56 0.00 -1.26 -5.04 105.19 99.87 2c1s n GLY 57 Ca 0.08 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.51 2c1s n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c1s n THR 58 N 0.00 0.97 -0.81 2.61 -2.24 -1.26 -4.81 114.28 108.74 2c1s n THR 58 Ca 0.00 -1.14 0.08 0.00 -2.27 0.00 0.00 64.05 60.72 2c1s n THR 58 Cb 0.00 0.22 0.27 0.00 -2.10 0.00 0.00 70.33 68.72 2c1s n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c1s n LYS 59 N -0.70 3.26 -1.19 -0.78 5.02 -1.26 -4.94 118.16 117.56 2c1s n LYS 59 Ca 0.07 -2.76 -0.06 0.00 -2.02 0.00 0.00 58.31 53.54 2c1s n LYS 59 Cb 0.60 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2c1s n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c1s n GLY 60 N -0.04 0.86 3.51 0.72 0.00 -1.26 -5.03 105.19 103.95 2c1s n GLY 60 Ca 0.21 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2c1s n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c1s s GLN 61 N -2.24 2.57 0.32 1.61 -0.21 -1.26 -5.06 119.66 115.39 2c1s s GLN 61 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.36 54.46 2c1s s GLN 61 Cb 0.00 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.47 2c1s s GLN 61 CO 0.00 0.63 0.94 -0.65 -2.12 0.00 0.00 175.29 174.10 2c1s s GLN 62 N -0.80 4.60 0.64 2.91 -1.52 -1.26 -4.35 119.66 119.88 2c1s s GLN 62 Ca 0.12 1.34 -0.11 0.00 -1.95 0.00 0.00 55.36 54.76 2c1s s GLN 62 Cb -0.11 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.83 2c1s s GLN 62 CO 0.01 0.29 1.04 -1.25 -0.25 0.00 0.00 175.29 175.13 2c1s s PRO 63 N -2.01 3.40 0.65 2.91 0.04 -1.26 -4.73 135.00 134.01 2c1s s PRO 63 Ca 0.50 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 2c1s s PRO 63 Cb -0.19 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2c1s s PRO 63 CO 0.24 -0.71 1.06 0.95 0.04 0.00 0.00 177.00 178.58 2c1s s THR 64 N -3.18 3.94 0.15 1.26 -4.23 -1.26 -4.46 115.64 107.85 2c1s s THR 64 Ca 0.56 0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 61.64 2c1s s THR 64 Cb -0.11 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.38 2c1s s THR 64 CO 0.54 -0.71 0.46 0.72 -0.54 0.00 0.00 174.62 175.08 2c1s s PHE 65 N -2.81 -0.22 0.15 3.99 -0.12 -0.51 -1.07 117.98 117.39 2c1s s PHE 65 Ca 0.60 -0.09 -0.12 0.00 -0.05 0.00 0.00 56.93 57.27 2c1s s PHE 65 Cb -0.15 0.33 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 2c1s s PHE 65 CO 0.48 -0.77 0.34 0.20 -0.05 0.00 0.00 175.22 175.41 2c1s s GLY 66 N -2.82 0.14 0.20 1.99 0.00 -0.75 -1.03 107.32 105.05 2c1s s GLY 66 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 44.72 44.06 2c1s s GLY 66 CO -0.10 -0.61 0.51 -0.11 0.00 0.00 0.00 173.10 172.80 2c1s s PHE 67 N -3.90 -0.07 -0.14 1.90 -0.12 -0.32 -1.70 117.98 113.63 2c1s s PHE 67 Ca 0.10 -0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 2c1s s PHE 67 Cb 0.02 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.76 2c1s s PHE 67 CO -0.05 -0.91 -0.11 0.99 -0.05 0.00 0.00 175.22 175.09 2c1s s THR 68 N -3.89 3.27 -0.26 -4.49 2.01 0.34 -0.67 115.64 111.94 2c1s s THR 68 Ca 0.10 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 2c1s s THR 68 Cb -0.01 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2c1s s THR 68 CO -0.02 0.52 0.16 -0.69 -0.69 0.00 0.00 174.62 173.90 2c1s s VAL 69 N 0.35 5.18 -0.84 3.82 1.01 0.71 -1.55 120.40 129.08 2c1s s VAL 69 Ca -0.09 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 2c1s s VAL 69 Cb -0.15 -3.44 0.21 0.00 0.00 0.00 0.00 36.38 32.99 2c1s s VAL 69 CO 0.05 0.29 0.81 -1.58 0.00 0.00 0.00 175.10 174.68 2c1s s GLN 70 N 1.51 3.60 0.27 2.72 0.74 -0.59 -2.58 119.66 125.33 2c1s s GLN 70 Ca 0.07 -2.36 -0.30 0.00 0.05 0.00 0.00 55.36 52.82 2c1s s GLN 70 Cb -0.15 -4.49 -0.11 0.00 1.10 0.00 0.00 33.01 29.36 2c1s s GLN 70 CO 0.08 -1.36 1.55 -1.58 -0.55 0.00 0.00 175.29 173.44 2c1s s TRP 71 N 0.51 2.84 -2.51 1.67 0.52 -1.26 -3.95 118.94 116.77 2c1s s TRP 71 Ca 0.20 0.84 0.28 0.00 0.02 0.00 0.00 56.10 57.43 2c1s s TRP 71 Cb -0.10 -4.00 1.01 0.00 -1.15 0.00 0.00 33.47 29.24 2c1s s TRP 71 CO -0.09 -3.34 1.72 1.04 0.02 0.00 0.00 176.95 176.30 2c1s n GLN 72 N 2.31 1.69 0.00 4.98 1.13 -1.26 -3.99 117.38 122.24 2c1s n GLN 72 Ca 0.08 -1.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.14 2c1s n GLN 72 Cb 0.38 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2c1s n GLN 72 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2c1s n PHE 73 N 0.22 0.00 -3.98 1.08 1.16 -1.26 -4.95 117.46 109.72 2c1s n PHE 73 Ca 0.19 -0.05 -0.08 0.00 -1.87 0.00 0.00 57.45 55.64 2c1s n PHE 73 Cb 0.36 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.14 2c1s n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2c1s s ALA 74 N -0.10 0.19 -1.66 1.98 0.00 -1.26 -4.85 121.76 116.07 2c1s s ALA 74 Ca 0.00 -0.96 0.27 0.00 0.00 0.00 0.00 51.96 51.27 2c1s s ALA 74 Cb 0.00 0.48 0.85 0.00 0.00 0.00 0.00 23.12 24.44 2c1s s ALA 74 CO 0.00 -0.47 1.62 -0.25 0.00 0.00 0.00 175.76 176.67 2c1s n ASP 75 N -0.01 0.84 -4.87 0.00 8.00 -1.26 -4.65 116.55 114.60 2c1s n ASP 75 Ca -0.13 -0.75 -0.30 0.00 0.71 0.00 0.00 54.79 54.33 2c1s n ASP 75 Cb 0.62 0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.88 2c1s n ASP 75 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c1s s SER 76 N -2.54 4.96 0.00 -2.24 1.04 -1.26 -4.37 113.70 109.28 2c1s s SER 76 Ca 0.24 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2c1s s SER 76 Cb 0.19 -1.75 -0.00 0.00 0.10 0.00 0.00 66.02 64.56 2c1s s SER 76 CO 0.52 -1.64 -0.01 -0.89 0.98 0.00 0.00 173.24 172.21 2c1s s THR 77 N -3.39 0.05 0.03 2.02 2.01 -0.64 -4.02 115.64 111.70 2c1s s THR 77 Ca 0.60 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.62 2c1s s THR 77 Cb -0.12 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2c1s s THR 77 CO 0.51 -0.01 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.29 2c1s s THR 78 N -0.08 2.19 0.08 -0.82 2.01 -1.06 -0.44 115.64 117.51 2c1s s THR 78 Ca -0.00 -1.31 0.10 0.00 0.31 0.00 0.00 61.69 60.78 2c1s s THR 78 Cb -0.01 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2c1s s THR 78 CO -0.00 0.41 -0.25 0.68 -0.69 0.00 0.00 174.62 174.77 2c1s s VAL 79 N -0.77 2.30 0.03 3.82 -7.23 -0.47 -0.21 120.40 117.88 2c1s s VAL 79 Ca 0.12 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2c1s s VAL 79 Cb -0.10 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 2c1s s VAL 79 CO 0.02 0.25 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.51 2c1s s PHE 80 N -0.93 1.68 0.01 2.82 0.08 0.15 -1.35 117.98 120.44 2c1s s PHE 80 Ca 0.13 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2c1s s PHE 80 Cb -0.10 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2c1s s PHE 80 CO 0.04 0.06 -0.02 0.54 -0.10 0.00 0.00 175.22 175.75 2c1s s VAL 81 N -0.74 0.08 0.00 -0.44 0.11 0.34 -1.18 120.40 118.58 2c1s s VAL 81 Ca 0.06 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2c1s s VAL 81 Cb -0.08 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2c1s s VAL 81 CO 0.01 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2c1s n GLY 82 N 2.53 1.06 3.55 6.54 0.00 -0.20 -0.60 105.19 118.08 2c1s n GLY 82 Ca -0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2c1s n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c1s s GLN 83 N -1.29 0.72 0.28 1.61 0.74 -0.84 -1.43 119.66 119.46 2c1s s GLN 83 Ca 0.00 0.94 -0.18 0.00 0.05 0.00 0.00 55.36 56.17 2c1s s GLN 83 Cb 0.00 0.31 -0.09 0.00 1.10 0.00 0.00 33.01 34.33 2c1s s GLN 83 CO 0.00 -0.10 0.75 0.00 -0.55 0.00 0.00 175.29 175.39 2c1s s PHE 85 N -1.75 1.29 -0.16 0.00 0.08 0.76 -4.38 117.98 113.82 2c1s s PHE 85 Ca 0.49 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.20 2c1s s PHE 85 Cb -0.14 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.55 2c1s s PHE 85 CO 0.19 0.04 -0.18 0.54 -0.10 0.00 0.00 175.22 175.71 2c1s s VAL 86 N -0.82 2.36 0.84 -0.44 0.11 -1.26 -0.66 120.40 120.53 2c1s s VAL 86 Ca 0.02 -0.87 -0.13 0.00 -2.93 0.00 0.00 61.98 58.08 2c1s s VAL 86 Cb -0.08 -1.98 0.19 0.00 -1.53 0.00 0.00 36.38 32.98 2c1s s VAL 86 CO 0.01 0.53 1.14 -0.90 -3.33 0.00 0.00 175.10 172.55 2c1s n ASP 87 N 4.22 0.23 -0.34 3.54 5.68 -0.72 -4.89 116.55 124.26 2c1s n ASP 87 Ca -0.20 -1.50 0.21 0.00 -0.50 0.00 0.00 54.79 52.80 2c1s n ASP 87 Cb 0.51 -0.86 0.44 0.00 -1.14 0.00 0.00 41.12 40.07 2c1s n ASP 87 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2c1s h ARG 88 N 0.00 0.47 -0.29 0.11 3.08 -2.00 -1.76 114.38 113.99 2c1s h ARG 88 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2c1s h ARG 88 Cb 1.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2c1s h ARG 88 CO 0.27 0.31 0.00 0.54 -1.07 0.00 0.00 179.97 180.02 2c1s n ARG 89 N -4.84 2.09 -1.01 0.04 1.74 -1.26 -4.93 116.66 108.49 2c1s n ARG 89 Ca 0.28 -1.64 -0.00 0.00 -0.77 0.00 0.00 57.85 55.71 2c1s n ARG 89 Cb 0.84 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2c1s n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c1s n GLY 90 N 1.30 0.47 3.69 -0.13 0.00 -0.66 -5.02 105.19 104.84 2c1s n GLY 90 Ca 0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2c1s n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2c1s s LYS 91 N -0.69 4.36 0.05 1.61 2.20 -1.26 -4.81 119.74 121.19 2c1s s LYS 91 Ca 0.00 1.66 -0.15 0.00 -0.36 0.00 0.00 55.97 57.12 2c1s s LYS 91 Cb 0.00 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 2c1s s LYS 91 CO 0.00 -0.42 0.46 -1.21 -0.36 0.00 0.00 175.35 173.82 2c1s s GLU 92 N 2.13 3.97 -0.02 4.03 2.02 -1.26 -1.75 118.70 127.81 2c1s s GLU 92 Ca 0.55 0.46 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2c1s s GLU 92 Cb -0.24 -3.15 0.03 0.00 0.10 0.00 0.00 34.13 30.86 2c1s s GLU 92 CO 0.22 0.63 0.01 -1.64 0.02 0.00 0.00 175.26 174.50 2c1s s MET 93 N -1.32 0.17 -0.30 1.61 -1.94 0.16 -3.83 119.30 113.85 2c1s s MET 93 Ca 0.28 0.10 -0.18 0.00 -1.71 0.00 0.00 55.69 54.19 2c1s s MET 93 Cb -0.17 -0.37 -0.02 0.00 2.01 0.00 0.00 34.83 36.29 2c1s s MET 93 CO 0.16 -0.13 0.49 -0.51 -0.01 0.00 0.00 175.02 175.02 2c1s s LEU 94 N 0.94 4.18 -0.29 -0.03 1.43 0.42 -0.17 118.68 125.16 2c1s s LEU 94 Ca -0.09 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 2c1s s LEU 94 Cb -0.12 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2c1s s LEU 94 CO -0.02 -0.36 0.59 -1.61 0.23 0.00 0.00 176.35 175.17 2c1s s GLU 95 N 2.32 3.97 0.05 1.70 0.41 -0.48 -0.80 118.70 125.86 2c1s s GLU 95 Ca 0.19 0.32 0.05 0.00 -0.41 0.00 0.00 54.97 55.12 2c1s s GLU 95 Cb -0.16 -3.70 -0.02 0.00 -1.78 0.00 0.00 34.13 28.47 2c1s s GLU 95 CO 0.11 -0.48 -0.15 -1.64 -0.49 0.00 0.00 175.26 172.61 2c1s s MET 96 N 2.49 0.97 0.19 1.61 -1.94 -0.34 -1.99 119.30 120.28 2c1s s MET 96 Ca 0.24 -0.85 0.10 0.00 -1.71 0.00 0.00 55.69 53.46 2c1s s MET 96 Cb -0.15 -1.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 2c1s s MET 96 CO 0.10 0.24 -0.13 0.00 -0.01 0.00 0.00 175.02 175.23 2c1s s ALA 97 N -0.97 2.85 0.03 3.03 0.00 0.24 -1.41 121.76 125.52 2c1s s ALA 97 Ca 0.02 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 2c1s s ALA 97 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2c1s s ALA 97 CO 0.02 0.45 0.02 1.67 0.00 0.00 0.00 175.76 177.91 2c1s s TRP 98 N -1.72 0.27 -0.07 0.00 1.48 -0.35 -0.50 118.94 118.05 2c1s s TRP 98 Ca 0.24 -0.59 0.05 0.00 -1.06 0.00 0.00 56.10 54.74 2c1s s TRP 98 Cb -0.08 -0.20 -0.00 0.00 -1.16 0.00 0.00 33.47 32.02 2c1s s TRP 98 CO 0.14 -0.28 -0.23 -0.51 -4.06 0.00 0.00 176.95 172.01 2c1s s LEU 99 N -1.89 2.03 -0.25 -4.66 1.43 -0.46 -2.25 118.68 112.63 2c1s s LEU 99 Ca -0.09 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2c1s s LEU 99 Cb -0.04 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2c1s s LEU 99 CO -0.03 0.19 0.00 -0.22 0.23 0.00 0.00 176.35 176.51 2c1s s LEU 100 N 0.12 3.27 -0.22 1.79 2.96 0.01 -1.36 118.68 125.25 2c1s s LEU 100 Ca -0.11 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 2c1s s LEU 100 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2c1s s LEU 100 CO 0.06 -0.09 0.04 -0.60 -1.32 0.00 0.00 176.35 174.44 2c1s s ARG 101 N 1.47 3.69 0.21 1.98 6.06 0.41 -1.12 118.95 131.66 2c1s s ARG 101 Ca 0.04 -0.48 -0.08 0.00 -2.50 0.00 0.00 55.73 52.71 2c1s s ARG 101 Cb -0.16 -3.21 -0.07 0.00 0.06 0.00 0.00 34.95 31.58 2c1s s ARG 101 CO -0.01 -0.04 0.51 -1.21 -2.50 0.00 0.00 175.30 172.05 2c1s s GLU 102 N 1.17 3.75 -0.24 5.12 2.02 -0.01 -1.62 118.70 128.89 2c1s s GLU 102 Ca 0.04 0.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.92 2c1s s GLU 102 Cb -0.14 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.40 2c1s s GLU 102 CO 0.02 0.35 0.98 -2.00 0.02 0.00 0.00 175.26 174.63 2c1s s GLU 103 N -2.82 4.22 0.16 1.61 2.12 -1.26 -4.88 118.70 117.84 2c1s s GLU 103 Ca 0.46 1.20 0.05 0.00 0.36 0.00 0.00 54.97 57.04 2c1s s GLU 103 Cb -0.11 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 2c1s s GLU 103 CO 0.23 -0.62 0.13 0.14 -0.54 0.00 0.00 175.26 174.60 2c1s s VAL 104 N 3.12 4.46 0.39 3.70 -7.23 -1.26 -5.03 120.40 118.55 2c1s s VAL 104 Ca 0.41 -1.07 0.12 0.00 -1.81 0.00 0.00 61.98 59.63 2c1s s VAL 104 Cb -0.15 -3.27 0.13 0.00 0.56 0.00 0.00 36.38 33.65 2c1s s VAL 104 CO 0.07 -0.09 1.89 -0.65 -0.31 0.00 0.00 175.10 176.01 2c1s h PRO 105 N 2.48 0.08 -3.82 4.82 0.11 -1.96 -3.46 132.00 130.25 2c1s h PRO 105 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2c1s h PRO 105 Cb 1.20 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 2c1s h PRO 105 CO 0.63 0.34 -0.32 -1.54 -0.21 0.00 0.00 178.00 176.90 2c1s s SER 106 N -6.94 0.05 0.47 -2.05 1.04 -1.26 -5.03 113.70 99.99 2c1s s SER 106 Ca -0.04 -0.75 0.14 0.00 0.48 0.00 0.00 55.95 55.78 2c1s s SER 106 Cb 0.15 0.40 1.08 0.00 0.10 0.00 0.00 66.02 67.75 2c1s s SER 106 CO 0.72 -0.83 2.06 -0.09 0.98 0.00 0.00 173.24 176.09 2c1s h ARG 107 N 2.61 0.09 0.00 4.02 2.43 -2.02 -1.45 114.38 120.06 2c1s h ARG 107 Ca -0.33 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2c1s h ARG 107 Cb 1.22 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2c1s h ARG 107 CO 0.51 0.14 0.00 0.87 -1.51 0.00 0.00 179.97 179.98 2c1s h LYS 108 N 0.09 0.00 -0.10 0.20 1.57 -1.99 -0.76 116.57 115.57 2c1s h LYS 108 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2c1s h LYS 108 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2c1s h LYS 108 CO 0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 2c1s n ASP 109 N -2.59 2.43 0.11 0.86 8.00 -0.55 -4.47 116.55 120.34 2c1s n ASP 109 Ca 0.00 -1.80 0.05 0.00 0.71 0.00 0.00 54.79 53.75 2c1s n ASP 109 Cb 0.19 -0.05 0.50 0.00 -0.02 0.00 0.00 41.12 41.73 2c1s n ASP 109 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2c1s h THR 110 N 3.60 1.08 -0.49 -3.53 1.35 -1.19 -2.40 112.91 111.32 2c1s h THR 110 Ca 0.00 -0.20 0.14 0.00 -0.55 0.00 0.00 66.41 65.80 2c1s h THR 110 Cb 0.77 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 2c1s h THR 110 CO 0.00 0.08 0.36 4.11 -0.25 0.00 0.00 175.52 179.82 2c1s h TRP 111 N 0.32 0.00 -0.56 4.73 5.08 -1.80 -1.81 115.95 121.91 2c1s h TRP 111 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 2c1s h TRP 111 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 2c1s h TRP 111 CO 0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2c1s n LYS 112 N -4.37 2.62 0.00 0.12 2.85 -0.90 -4.61 118.16 113.87 2c1s n LYS 112 Ca 0.09 -2.48 0.13 0.00 -1.05 0.00 0.00 58.31 54.99 2c1s n LYS 112 Cb 0.57 -1.55 0.39 0.00 -0.65 0.00 0.00 35.03 33.80 2c1s n LYS 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c1s n ALA 113 N 1.60 3.08 -3.96 0.58 0.00 -0.68 -4.82 120.51 116.30 2c1s n ALA 113 Ca 0.22 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2c1s n ALA 113 Cb 0.62 -1.25 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 2c1s n ALA 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c1s s THR 114 N -2.99 1.33 0.23 0.00 2.01 -1.26 -0.83 115.64 114.13 2c1s s THR 114 Ca 0.12 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2c1s s THR 114 Cb 0.18 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2c1s s THR 114 CO 0.63 0.39 0.36 -0.13 -0.69 0.00 0.00 174.62 175.19 2c1s s ARG 115 N 1.58 3.44 0.04 4.92 0.52 -0.27 -4.93 118.95 124.25 2c1s s ARG 115 Ca 0.04 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2c1s s ARG 115 Cb -0.13 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2c1s s ARG 115 CO -0.09 0.42 -0.07 0.54 0.02 0.00 0.00 175.30 176.12 2c1s s VAL 116 N -1.97 0.48 0.01 3.52 0.11 -1.26 -0.81 120.40 120.48 2c1s s VAL 116 Ca 0.34 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2c1s s VAL 116 Cb -0.09 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2c1s s VAL 116 CO 0.29 -0.45 0.06 0.61 -3.33 0.00 0.00 175.10 172.28 2c1s n GLY 117 N 1.35 1.14 3.10 6.54 0.00 -0.96 -5.01 105.19 111.35 2c1s n GLY 117 Ca -0.22 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 2c1s n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1s s THR 118 N -2.47 0.43 0.05 2.61 -4.23 -1.26 -1.21 115.64 109.55 2c1s s THR 118 Ca 0.01 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 2c1s s THR 118 Cb -0.00 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 2c1s s THR 118 CO 0.00 -0.81 0.12 0.20 -0.54 0.00 0.00 174.62 173.60 2c1s s ASN 119 N -2.60 0.16 -0.10 3.99 0.02 -0.50 -4.96 114.94 110.94 2c1s s ASN 119 Ca 0.04 -0.55 0.02 0.00 -1.02 0.00 0.00 52.86 51.35 2c1s s ASN 119 Cb 0.02 0.25 0.01 0.00 0.02 0.00 0.00 41.25 41.56 2c1s s ASN 119 CO -0.06 -0.55 -0.14 -0.69 0.02 0.00 0.00 177.10 175.68 2c1s s VAL 120 N -2.86 1.42 -0.09 1.60 1.01 -1.26 -1.20 120.40 119.02 2c1s s VAL 120 Ca -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2c1s s VAL 120 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2c1s s VAL 120 CO -0.06 0.43 0.01 -0.36 0.00 0.00 0.00 175.10 175.12 2c1s s PHE 121 N 0.99 3.18 0.20 5.22 0.08 0.02 -2.85 117.98 124.81 2c1s s PHE 121 Ca -0.07 0.19 0.10 0.00 0.12 0.00 0.00 56.93 57.27 2c1s s PHE 121 Cb -0.15 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2c1s s PHE 121 CO -0.01 0.46 -0.12 0.95 -0.10 0.00 0.00 175.22 176.39 2c1s s THR 122 N -0.82 3.00 0.06 0.64 -4.23 0.10 -0.44 115.64 113.96 2c1s s THR 122 Ca 0.12 -1.82 -0.31 0.00 -1.18 0.00 0.00 61.69 58.51 2c1s s THR 122 Cb -0.11 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 2c1s s THR 122 CO 0.02 -0.16 1.45 -0.60 -0.54 0.00 0.00 174.62 174.79 2c1s s ARG 123 N -2.95 4.28 0.00 3.99 6.06 -1.25 -0.57 118.95 128.52 2c1s s ARG 123 Ca 0.25 2.09 0.15 0.00 -2.50 0.00 0.00 55.73 55.72 2c1s s ARG 123 Cb -0.08 -3.43 0.88 0.00 0.06 0.00 0.00 34.95 32.38 2c1s s ARG 123 CO 0.15 -0.55 1.30 0.28 -2.50 0.00 0.00 175.30 173.98