#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1q n ARG 2 N 0.00 2.14 -1.71 1.09 1.74 -1.26 -4.95 116.66 113.72 2c1q n ARG 2 Ca 0.00 -1.75 -0.42 0.00 -0.77 0.00 0.00 57.85 54.91 2c1q n ARG 2 Cb 0.00 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 2c1q n ARG 2 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2c1q n LYS 3 N 0.94 2.79 -1.01 5.56 4.76 -1.26 -1.92 118.16 128.01 2c1q n LYS 3 Ca 0.17 1.01 -0.00 0.00 -2.87 0.00 0.00 58.31 56.62 2c1q n LYS 3 Cb 0.45 -2.88 -0.00 0.00 -1.84 0.00 0.00 35.03 30.76 2c1q n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c1q s GLU 5 N -0.68 4.14 0.14 0.00 -1.05 -0.81 -4.90 118.70 115.55 2c1q s GLU 5 Ca 0.00 2.54 -0.10 0.00 -0.15 0.00 0.00 54.97 57.26 2c1q s GLU 5 Cb 0.00 -3.06 -0.05 0.00 -0.44 0.00 0.00 34.13 30.58 2c1q s GLU 5 CO 0.00 -0.66 1.44 -0.07 0.95 0.00 0.00 175.26 176.92 2c1q h LEU 6 N 5.79 0.95 -7.07 1.83 3.38 -1.95 -3.43 115.31 114.81 2c1q h LEU 6 Ca -0.45 -0.49 -0.65 0.00 0.09 0.00 0.00 57.88 56.38 2c1q h LEU 6 Cb 1.21 -0.27 0.03 0.00 0.09 0.00 0.00 40.66 41.72 2c1q h LEU 6 CO 0.87 1.28 0.27 1.67 0.09 0.00 0.00 178.44 182.62 2c1q n GLN 7 N -4.01 0.00 0.00 1.13 7.27 -1.26 -4.57 117.38 115.94 2c1q n GLN 7 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2c1q n GLN 7 Cb 0.61 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 32.08 2c1q n GLN 7 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2c1q n GLY 8 N 2.06 0.91 3.57 1.69 0.00 -0.04 -4.93 105.19 108.45 2c1q n GLY 8 Ca 0.20 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2c1q n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c1q s LEU 9 N 0.00 3.58 0.20 0.99 2.96 -1.26 -0.94 118.68 124.21 2c1q s LEU 9 Ca 0.00 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2c1q s LEU 9 Cb 0.00 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2c1q s LEU 9 CO 0.00 0.15 -0.20 0.26 -1.32 0.00 0.00 176.35 175.24 2c1q s TRP 10 N 0.50 2.07 0.05 5.38 0.52 0.10 -1.82 118.94 125.74 2c1q s TRP 10 Ca 0.01 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.76 2c1q s TRP 10 Cb -0.13 -1.00 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 2c1q s TRP 10 CO 0.02 0.46 -0.12 0.50 0.02 0.00 0.00 176.95 177.83 2c1q s ARG 11 N -2.94 0.71 0.50 4.98 3.52 0.69 -1.06 118.95 125.35 2c1q s ARG 11 Ca 0.21 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2c1q s ARG 11 Cb -0.06 -0.63 0.01 0.00 -1.56 0.00 0.00 34.95 32.71 2c1q s ARG 11 CO 0.09 0.14 0.28 0.54 -0.81 0.00 0.00 175.30 175.54 2c1q s ASN 12 N -1.56 4.51 0.62 -2.12 2.20 -0.63 -0.50 114.94 117.46 2c1q s ASN 12 Ca -0.04 -1.27 0.41 0.00 -0.94 0.00 0.00 52.86 51.02 2c1q s ASN 12 Cb -0.10 0.20 2.10 0.00 -2.00 0.00 0.00 41.25 41.45 2c1q s ASN 12 CO 0.01 -0.91 2.24 1.05 -2.94 0.00 0.00 177.10 176.56 2c1q h GLU 13 N 1.03 0.00 -0.00 3.55 9.09 -1.88 0.12 114.58 126.48 2c1q h GLU 13 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 2c1q h GLU 13 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2c1q h GLU 13 CO 0.63 0.00 -0.19 1.28 0.05 0.00 0.00 179.01 180.79 2c1q n LEU 14 N -3.05 0.26 0.00 3.06 4.77 -1.26 -4.92 117.00 115.86 2c1q n LEU 14 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2c1q n LEU 14 Cb 0.14 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2c1q n LEU 14 CO 0.22 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2c1q n GLY 15 N 1.45 0.63 3.78 -0.72 0.00 0.41 -4.71 105.19 106.03 2c1q n GLY 15 Ca 0.08 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2c1q n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c1q s SER 16 N -2.29 6.17 0.02 1.61 0.01 -1.25 -4.49 113.70 113.47 2c1q s SER 16 Ca 0.00 2.15 0.04 0.00 1.31 0.00 0.00 55.95 59.46 2c1q s SER 16 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2c1q s SER 16 CO 0.00 -0.91 -0.10 0.20 0.41 0.00 0.00 173.24 172.84 2c1q s ASN 17 N -1.63 4.37 -0.01 2.44 0.01 0.49 -1.60 114.94 119.00 2c1q s ASN 17 Ca 0.66 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2c1q s ASN 17 Cb -0.24 -0.93 0.02 0.00 0.41 0.00 0.00 41.25 40.51 2c1q s ASN 17 CO 0.28 0.27 0.02 -0.32 -1.51 0.00 0.00 177.10 175.84 2c1q s MET 18 N -1.43 -0.01 -0.11 -0.60 -2.45 -0.23 0.15 119.30 114.62 2c1q s MET 18 Ca 0.16 0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 2c1q s MET 18 Cb -0.11 -0.15 -0.02 0.00 1.25 0.00 0.00 34.83 35.80 2c1q s MET 18 CO 0.07 -0.10 -0.12 0.99 1.05 0.00 0.00 175.02 176.91 2c1q s THR 19 N 0.63 3.17 -0.19 10.11 2.01 0.16 0.01 115.64 131.54 2c1q s THR 19 Ca -0.05 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 2c1q s THR 19 Cb -0.08 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.13 2c1q s THR 19 CO -0.02 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 2c1q s ILE 20 N 0.05 2.61 0.88 1.82 1.01 -0.12 -1.03 121.20 126.42 2c1q s ILE 20 Ca -0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2c1q s ILE 20 Cb -0.14 -2.13 0.12 0.00 0.01 0.00 0.00 42.46 40.32 2c1q s ILE 20 CO 0.04 0.50 1.18 -0.44 0.00 0.00 0.00 174.94 176.22 2c1q s SER 21 N 1.24 3.81 0.37 3.58 0.01 -0.01 -0.86 113.70 121.83 2c1q s SER 21 Ca 0.03 0.78 -0.25 0.00 1.31 0.00 0.00 55.95 57.81 2c1q s SER 21 Cb -0.14 -1.23 -0.12 0.00 0.21 0.00 0.00 66.02 64.74 2c1q s SER 21 CO -0.07 -2.34 0.92 0.00 0.41 0.00 0.00 173.24 172.17 2c1q n ALA 22 N -3.60 -0.31 -1.76 1.44 0.00 -1.26 -4.49 120.51 110.54 2c1q n ALA 22 Ca 0.09 0.28 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2c1q n ALA 22 Cb 0.60 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 2c1q n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c1q s LEU 23 N 0.29 4.58 1.07 0.00 1.02 -1.26 -4.59 118.68 119.79 2c1q s LEU 23 Ca 0.61 2.17 -0.18 0.00 0.02 0.00 0.00 54.13 56.75 2c1q s LEU 23 Cb -0.63 -3.63 0.24 0.00 0.02 0.00 0.00 46.19 42.20 2c1q s LEU 23 CO 0.58 -0.05 1.26 1.51 0.02 0.00 0.00 176.35 179.67 2c1q s ASP 24 N -0.98 2.17 0.28 2.29 1.47 -0.52 -4.93 116.67 116.45 2c1q s ASP 24 Ca 0.44 0.34 0.14 0.00 1.18 0.00 0.00 52.55 54.65 2c1q s ASP 24 Cb -0.30 -0.41 0.22 0.00 -0.34 0.00 0.00 42.92 42.09 2c1q s ASP 24 CO 0.38 -3.32 1.51 1.62 0.68 0.00 0.00 175.17 176.04 2c1q h VAL 25 N -2.05 1.08 0.00 2.11 3.04 -1.98 -1.52 116.25 116.93 2c1q h VAL 25 Ca -0.44 -2.24 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 2c1q h VAL 25 Cb 1.25 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 2c1q h VAL 25 CO 0.34 0.56 0.00 0.00 -1.01 0.00 0.00 177.57 177.46 2c1q h ALA 26 N 1.43 1.00 0.00 3.17 0.00 -1.99 -3.46 119.26 119.41 2c1q h ALA 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c1q h ALA 26 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2c1q h ALA 26 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2c1q n GLY 27 N -0.75 0.72 3.82 0.00 0.00 -0.57 -4.86 105.19 103.54 2c1q n GLY 27 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2c1q n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1q s THR 28 N -2.33 4.45 0.12 2.61 -4.23 -1.26 -0.14 115.64 114.86 2c1q s THR 28 Ca 0.00 1.40 -0.02 0.00 -1.18 0.00 0.00 61.69 61.90 2c1q s THR 28 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2c1q s THR 28 CO 0.00 -0.06 0.06 0.72 -0.54 0.00 0.00 174.62 174.80 2c1q s PHE 29 N -1.86 0.76 0.33 3.99 -0.12 0.20 -1.44 117.98 119.84 2c1q s PHE 29 Ca 0.53 -1.16 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 2c1q s PHE 29 Cb -0.13 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 2c1q s PHE 29 CO 0.18 -0.51 0.16 -1.13 -0.05 0.00 0.00 175.22 173.87 2c1q n SER 30 N -0.07 0.63 0.00 1.98 3.41 -1.26 -1.10 113.62 117.21 2c1q n SER 30 Ca -0.07 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 2c1q n SER 30 Cb 0.63 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 2c1q n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c1q n GLY 31 N -0.41 -0.52 3.26 5.00 0.00 -0.83 -0.83 105.19 110.86 2c1q n GLY 31 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 2c1q n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c1q s SER 32 N -4.00 0.02 -0.05 1.61 1.04 -0.19 -0.83 113.70 111.29 2c1q s SER 32 Ca 0.00 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.84 2c1q s SER 32 Cb 0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2c1q s SER 32 CO 0.00 -0.79 -0.05 -0.47 0.98 0.00 0.00 173.24 172.91 2c1q s TYR 33 N -3.86 0.89 -0.43 5.02 5.04 0.02 0.40 117.35 124.42 2c1q s TYR 33 Ca 0.06 -0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.39 2c1q s TYR 33 Cb 0.04 -0.77 0.12 0.00 0.35 0.00 0.00 41.96 41.70 2c1q s TYR 33 CO -0.10 -0.23 0.23 -1.14 -1.34 0.00 0.00 175.55 172.97 2c1q s GLN 34 N 1.01 2.04 0.34 4.97 2.00 0.40 -1.91 119.66 128.51 2c1q s GLN 34 Ca -0.09 -1.92 -0.26 0.00 -2.00 0.00 0.00 55.36 51.09 2c1q s GLN 34 Cb -0.14 -3.58 -0.10 0.00 0.80 0.00 0.00 33.01 29.99 2c1q s GLN 34 CO -0.00 -1.08 0.98 -0.08 -0.50 0.00 0.00 175.29 174.61 2c1q s THR 35 N 0.96 4.04 -0.73 -0.34 -1.32 -1.26 -0.38 115.64 116.60 2c1q s THR 35 Ca 0.10 1.67 0.25 0.00 -1.21 0.00 0.00 61.69 62.50 2c1q s THR 35 Cb -0.22 -3.92 0.13 0.00 -1.51 0.00 0.00 72.50 66.98 2c1q s THR 35 CO -0.04 0.12 1.52 0.00 -2.21 0.00 0.00 174.62 174.00 2c1q n ALA 36 N 0.43 2.74 -2.51 11.08 0.00 -1.26 -4.91 120.51 126.07 2c1q n ALA 36 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 2c1q n ALA 36 Cb 0.50 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 2c1q n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2c1q s VAL 37 N -3.12 0.83 0.04 0.00 -7.23 -1.26 -5.02 120.40 104.65 2c1q s VAL 37 Ca 0.09 -1.56 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 2c1q s VAL 37 Cb 0.14 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.83 2c1q s VAL 37 CO 0.67 -0.56 0.22 0.28 -0.31 0.00 0.00 175.10 175.39 2c1q s THR 38 N -2.38 0.11 -2.79 5.32 -1.32 -1.26 -5.01 115.64 108.30 2c1q s THR 38 Ca 0.03 -0.87 0.25 0.00 -1.21 0.00 0.00 61.69 59.89 2c1q s THR 38 Cb -0.03 -0.95 0.31 0.00 -1.51 0.00 0.00 72.50 70.32 2c1q s THR 38 CO -0.01 -0.48 1.40 0.00 -2.21 0.00 0.00 174.62 173.33 2c1q n ALA 39 N 0.60 2.49 -2.06 11.08 0.00 -1.26 -4.93 120.51 126.43 2c1q n ALA 39 Ca -0.18 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.41 2c1q n ALA 39 Cb 0.59 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 19.17 2c1q n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c1q s THR 40 N -1.94 2.40 -0.37 0.00 -4.23 -1.26 -5.01 115.64 105.23 2c1q s THR 40 Ca 0.32 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 2c1q s THR 40 Cb 0.20 -2.44 0.67 0.00 1.34 0.00 0.00 72.50 72.27 2c1q s THR 40 CO 0.31 0.00 1.79 -0.46 -0.54 0.00 0.00 174.62 175.72 2c1q n ASN 41 N -2.07 3.97 -4.86 3.99 0.23 -1.26 -4.99 115.26 110.27 2c1q n ASN 41 Ca 0.12 -3.47 -0.28 0.00 -0.53 0.00 0.00 54.58 50.42 2c1q n ASN 41 Cb 0.61 -0.76 -0.05 0.00 -2.08 0.00 0.00 39.78 37.50 2c1q n ASN 41 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2c1q s LYS 42 N -3.16 3.16 0.14 -3.83 1.02 -1.26 -5.06 119.74 110.75 2c1q s LYS 42 Ca 0.54 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 55.54 2c1q s LYS 42 Cb 0.45 -2.83 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2c1q s LYS 42 CO 0.10 0.54 1.82 0.94 -0.92 0.00 0.00 175.35 177.82 2c1q n GLN 43 N -0.13 2.80 -2.07 1.68 -0.06 -1.26 -4.97 117.38 113.37 2c1q n GLN 43 Ca -0.07 1.02 -0.42 0.00 -2.00 0.00 0.00 57.00 55.53 2c1q n GLN 43 Cb 0.53 -2.90 -0.03 0.00 -4.06 0.00 0.00 30.24 23.78 2c1q n GLN 43 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2c1q s ILE 44 N 2.40 2.88 0.00 1.69 1.01 -1.26 -4.79 121.20 123.13 2c1q s ILE 44 Ca 0.80 0.69 0.05 0.00 0.00 0.00 0.00 60.65 62.19 2c1q s ILE 44 Cb -0.48 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2c1q s ILE 44 CO 0.36 0.09 -0.15 -0.76 0.00 0.00 0.00 174.94 174.48 2c1q s LEU 45 N 0.22 2.06 0.28 2.97 1.43 -1.26 -5.08 118.68 119.29 2c1q s LEU 45 Ca 0.62 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 53.12 2c1q s LEU 45 Cb -0.40 -0.74 -0.14 0.00 0.03 0.00 0.00 46.19 44.93 2c1q s LEU 45 CO 0.38 0.15 1.00 0.55 0.23 0.00 0.00 176.35 178.66 2c1q n VAL 46 N 2.53 1.92 -4.27 -1.59 3.14 -1.26 -4.51 118.33 114.29 2c1q n VAL 46 Ca -0.15 -0.48 -0.17 0.00 -2.96 0.00 0.00 64.34 60.57 2c1q n VAL 46 Cb 0.55 -0.95 -0.15 0.00 -1.06 0.00 0.00 33.84 32.24 2c1q n VAL 46 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2c1q s SER 47 N -0.54 0.86 0.51 6.55 0.01 -0.80 -4.62 113.70 115.66 2c1q s SER 47 Ca 0.60 -0.13 -0.21 0.00 1.31 0.00 0.00 55.95 57.52 2c1q s SER 47 Cb -0.72 -0.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.33 2c1q s SER 47 CO 0.59 0.08 1.17 -2.16 0.41 0.00 0.00 173.24 173.33 2c1q s PRO 48 N -0.12 3.49 0.17 12.44 0.04 -1.26 -0.80 135.00 148.97 2c1q s PRO 48 Ca 0.02 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.88 2c1q s PRO 48 Cb -0.03 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2c1q s PRO 48 CO -0.00 -0.77 -0.17 -0.48 0.04 0.00 0.00 177.00 175.62 2c1q s LEU 49 N -3.46 2.46 -0.04 -3.56 0.05 -0.01 -1.86 118.68 112.27 2c1q s LEU 49 Ca 0.69 -0.89 -0.01 0.00 0.05 0.00 0.00 54.13 53.97 2c1q s LEU 49 Cb -0.28 -0.78 0.03 0.00 -2.05 0.00 0.00 46.19 43.12 2c1q s LEU 49 CO 0.32 -0.07 0.03 -0.75 -0.55 0.00 0.00 176.35 175.33 2c1q s LYS 50 N -2.98 0.17 0.29 1.48 2.47 -0.58 -1.96 119.74 118.63 2c1q s LYS 50 Ca 0.17 0.23 -0.00 0.00 -1.56 0.00 0.00 55.97 54.80 2c1q s LYS 50 Cb -0.05 -0.58 0.00 0.00 -1.46 0.00 0.00 37.83 35.75 2c1q s LYS 50 CO 0.06 -0.26 0.39 0.41 0.16 0.00 0.00 175.35 176.11 2c1q n GLY 51 N 4.87 2.39 3.09 5.54 0.00 -0.26 -0.88 105.19 119.95 2c1q n GLY 51 Ca -0.12 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 2c1q n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1q s ALA 52 N -2.66 -0.42 0.12 4.61 0.00 -0.67 -0.63 121.76 122.12 2c1q s ALA 52 Ca 0.26 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2c1q s ALA 52 Cb -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2c1q s ALA 52 CO 0.18 -0.15 -0.02 -1.14 0.00 0.00 0.00 175.76 174.63 2c1q s GLN 53 N -0.59 2.40 0.57 0.00 0.74 0.80 -1.78 119.66 121.80 2c1q s GLN 53 Ca -0.07 -0.98 -0.17 0.00 0.05 0.00 0.00 55.36 54.20 2c1q s GLN 53 Cb -0.04 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 2c1q s GLN 53 CO 0.01 0.50 1.07 -0.65 -0.55 0.00 0.00 175.29 175.67 2c1q s GLN 54 N -2.52 3.35 0.32 1.67 -1.52 -0.44 -4.66 119.66 115.86 2c1q s GLN 54 Ca 0.25 1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 54.70 2c1q s GLN 54 Cb -0.11 -2.03 -0.10 0.00 -0.22 0.00 0.00 33.01 30.55 2c1q s GLN 54 CO 0.17 -0.80 1.25 -1.25 -0.25 0.00 0.00 175.29 174.42 2c1q s PRO 55 N -3.79 4.40 0.79 2.91 0.04 -1.26 -4.73 135.00 133.36 2c1q s PRO 55 Ca 0.66 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.68 2c1q s PRO 55 Cb -0.18 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.35 2c1q s PRO 55 CO 0.33 -0.10 1.10 -1.25 0.04 0.00 0.00 177.00 177.11 2c1q s PRO 56 N -1.74 2.15 0.00 0.56 0.04 -1.26 -4.79 135.00 129.95 2c1q s PRO 56 Ca 0.48 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2c1q s PRO 56 Cb -0.37 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2c1q s PRO 56 CO 0.49 -1.58 0.00 0.36 0.04 0.00 0.00 177.00 176.32 2c1q n LYS 59 N -3.40 0.00 -0.35 4.56 2.85 -1.26 -5.01 118.16 115.55 2c1q n LYS 59 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2c1q n LYS 59 Cb 0.56 -0.06 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 2c1q n LYS 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c1q n GLY 60 N -2.00 1.06 3.53 2.58 0.00 -1.26 -5.06 105.19 104.05 2c1q n GLY 60 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2c1q n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c1q s GLN 61 N -0.47 3.31 0.44 1.61 -0.21 -1.26 -5.06 119.66 118.02 2c1q s GLN 61 Ca 0.00 -0.53 -0.25 0.00 0.02 0.00 0.00 55.36 54.60 2c1q s GLN 61 Cb 0.00 -2.78 -0.08 0.00 1.00 0.00 0.00 33.01 31.15 2c1q s GLN 61 CO 0.00 0.41 1.27 -0.65 -2.12 0.00 0.00 175.29 174.20 2c1q s GLN 62 N -0.11 3.80 0.54 2.91 -1.52 -1.26 -4.99 119.66 119.03 2c1q s GLN 62 Ca 0.02 2.07 -0.18 0.00 -1.95 0.00 0.00 55.36 55.31 2c1q s GLN 62 Cb -0.13 -2.60 -0.06 0.00 -0.22 0.00 0.00 33.01 30.00 2c1q s GLN 62 CO 0.03 -0.60 1.06 -1.25 -0.25 0.00 0.00 175.29 174.28 2c1q s PRO 63 N -2.44 3.51 0.56 2.91 0.04 -1.26 -4.79 135.00 133.53 2c1q s PRO 63 Ca 0.61 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 2c1q s PRO 63 Cb -0.36 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 2c1q s PRO 63 CO 0.45 -0.67 1.12 0.95 0.04 0.00 0.00 177.00 178.89 2c1q s THR 64 N -2.11 3.20 0.20 1.26 -4.23 -1.26 -4.50 115.64 108.20 2c1q s THR 64 Ca 0.67 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.87 2c1q s THR 64 Cb -0.18 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2c1q s THR 64 CO 0.28 -0.20 0.14 0.72 -0.54 0.00 0.00 174.62 175.02 2c1q s PHE 65 N -1.89 1.14 0.05 3.99 -0.12 0.19 -1.33 117.98 120.01 2c1q s PHE 65 Ca 0.71 -1.36 -0.12 0.00 -0.05 0.00 0.00 56.93 56.11 2c1q s PHE 65 Cb -0.23 -0.54 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 2c1q s PHE 65 CO 0.30 -0.65 0.28 0.20 -0.05 0.00 0.00 175.22 175.29 2c1q s GLY 66 N -3.16 -0.08 0.19 1.99 0.00 -0.73 -1.21 107.32 104.32 2c1q s GLY 66 Ca 0.39 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.85 2c1q s GLY 66 CO 0.12 -0.34 0.39 -0.11 0.00 0.00 0.00 173.10 173.16 2c1q s PHE 67 N -2.81 0.24 -0.11 1.90 -0.12 -0.25 -1.66 117.98 115.17 2c1q s PHE 67 Ca -0.03 -0.60 0.01 0.00 -0.05 0.00 0.00 56.93 56.26 2c1q s PHE 67 Cb 0.00 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2c1q s PHE 67 CO -0.05 -0.82 -0.15 0.99 -0.05 0.00 0.00 175.22 175.14 2c1q s THR 68 N -3.95 2.92 -0.22 -4.49 2.01 -0.06 -0.65 115.64 111.20 2c1q s THR 68 Ca 0.16 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 2c1q s THR 68 Cb 0.01 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2c1q s THR 68 CO 0.01 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.86 2c1q s VAL 69 N 0.13 4.52 -0.83 3.82 1.01 0.42 -1.52 120.40 127.95 2c1q s VAL 69 Ca -0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2c1q s VAL 69 Cb -0.15 -3.08 0.15 0.00 0.00 0.00 0.00 36.38 33.30 2c1q s VAL 69 CO 0.05 0.39 0.93 -1.58 0.00 0.00 0.00 175.10 174.89 2c1q s GLN 70 N 1.05 3.48 0.21 2.72 0.74 -0.77 -2.99 119.66 124.10 2c1q s GLN 70 Ca 0.04 -1.87 -0.31 0.00 0.05 0.00 0.00 55.36 53.26 2c1q s GLN 70 Cb -0.14 -4.62 -0.11 0.00 1.10 0.00 0.00 33.01 29.23 2c1q s GLN 70 CO 0.03 -1.58 1.64 -1.58 -0.55 0.00 0.00 175.29 173.25 2c1q s TRP 71 N 1.93 2.94 -1.55 1.67 0.52 -1.26 -4.01 118.94 119.18 2c1q s TRP 71 Ca 0.24 0.52 0.28 0.00 0.02 0.00 0.00 56.10 57.16 2c1q s TRP 71 Cb -0.10 -4.05 1.17 0.00 -1.15 0.00 0.00 33.47 29.34 2c1q s TRP 71 CO -0.06 -3.87 1.83 1.04 0.02 0.00 0.00 176.95 175.92 2c1q n GLN 72 N 3.66 0.58 0.00 4.98 1.13 -1.26 -3.88 117.38 122.59 2c1q n GLN 72 Ca 0.14 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 2c1q n GLN 72 Cb 0.37 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2c1q n GLN 72 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2c1q n PHE 73 N -1.03 0.00 -3.89 1.08 1.16 -1.26 -4.99 117.46 108.52 2c1q n PHE 73 Ca 0.13 -0.21 -0.11 0.00 -1.87 0.00 0.00 57.45 55.40 2c1q n PHE 73 Cb 0.29 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.04 2c1q n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2c1q s ALA 74 N -0.42 -0.23 -1.91 1.98 0.00 -1.25 -4.84 121.76 115.09 2c1q s ALA 74 Ca 0.00 -0.25 0.22 0.00 0.00 0.00 0.00 51.96 51.92 2c1q s ALA 74 Cb 0.00 0.14 1.26 0.00 0.00 0.00 0.00 23.12 24.52 2c1q s ALA 74 CO 0.00 -0.22 1.68 -0.25 0.00 0.00 0.00 175.76 176.97 2c1q n ASP 75 N 1.36 0.00 -4.62 0.00 8.00 -1.26 -4.67 116.55 115.37 2c1q n ASP 75 Ca -0.22 -0.58 -0.25 0.00 0.71 0.00 0.00 54.79 54.45 2c1q n ASP 75 Cb 0.56 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.73 2c1q n ASP 75 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c1q s SER 76 N -2.09 4.23 -0.06 -2.24 1.04 -1.26 -4.09 113.70 109.22 2c1q s SER 76 Ca 0.31 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 2c1q s SER 76 Cb 0.15 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2c1q s SER 76 CO 0.26 -1.95 0.15 -0.89 0.98 0.00 0.00 173.24 171.79 2c1q s THR 77 N -3.28 -0.04 -0.02 2.02 2.01 -0.39 -4.05 115.64 111.90 2c1q s THR 77 Ca 0.66 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.83 2c1q s THR 77 Cb -0.06 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2c1q s THR 77 CO 0.46 0.06 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.47 2c1q s THR 78 N 0.94 3.54 0.04 -0.82 2.01 -1.16 -0.26 115.64 119.94 2c1q s THR 78 Ca -0.07 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.30 2c1q s THR 78 Cb -0.09 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2c1q s THR 78 CO -0.05 0.46 -0.25 0.68 -0.69 0.00 0.00 174.62 174.77 2c1q s VAL 79 N -0.91 2.06 0.01 3.82 -7.23 -0.59 -0.44 120.40 117.11 2c1q s VAL 79 Ca 0.15 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2c1q s VAL 79 Cb -0.11 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2c1q s VAL 79 CO 0.05 0.35 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.66 2c1q s PHE 80 N -0.79 1.59 0.00 2.82 0.08 0.18 -1.81 117.98 120.04 2c1q s PHE 80 Ca 0.11 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.86 2c1q s PHE 80 Cb -0.10 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 2c1q s PHE 80 CO 0.02 0.01 -0.07 0.54 -0.10 0.00 0.00 175.22 175.62 2c1q s VAL 81 N -0.55 0.54 0.17 -0.44 0.11 0.82 -1.09 120.40 119.96 2c1q s VAL 81 Ca 0.06 -0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 58.57 2c1q s VAL 81 Cb -0.07 -0.47 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 2c1q s VAL 81 CO 0.00 0.10 0.87 0.61 -3.33 0.00 0.00 175.10 173.35 2c1q n GLY 82 N 2.77 0.72 3.13 6.54 0.00 -0.35 -0.36 105.19 117.64 2c1q n GLY 82 Ca -0.14 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2c1q n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c1q s GLN 83 N -2.04 0.44 0.10 1.61 0.74 -0.82 -0.64 119.66 119.05 2c1q s GLN 83 Ca 0.19 -0.13 -0.09 0.00 0.05 0.00 0.00 55.36 55.39 2c1q s GLN 83 Cb -0.02 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.22 2c1q s GLN 83 CO 0.05 -0.10 0.40 0.00 -0.55 0.00 0.00 175.29 175.09 2c1q s PHE 85 N -1.48 0.85 -0.14 0.00 0.08 0.28 -4.38 117.98 113.19 2c1q s PHE 85 Ca 0.35 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.03 2c1q s PHE 85 Cb -0.13 -0.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 2c1q s PHE 85 CO 0.20 -0.02 -0.16 0.08 -0.10 0.00 0.00 175.22 175.22 2c1q s VAL 86 N -0.98 2.71 0.00 -0.44 1.01 -1.26 -0.27 120.40 121.16 2c1q s VAL 86 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2c1q s VAL 86 Cb -0.08 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2c1q s VAL 86 CO 0.01 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 174.73 2c1q n ASP 87 N 3.84 0.00 0.33 3.32 5.68 -0.06 -4.93 116.55 124.73 2c1q n ASP 87 Ca -0.19 -0.18 -0.14 0.00 -0.50 0.00 0.00 54.79 53.79 2c1q n ASP 87 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 2c1q n ASP 87 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2c1q h ARG 88 N 0.00 -0.84 -1.04 0.11 -0.00 -2.01 -3.15 114.38 107.45 2c1q h ARG 88 Ca 0.00 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 2c1q h ARG 88 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.16 2c1q h ARG 88 CO 0.00 -0.56 0.00 0.54 0.00 0.00 0.00 179.97 179.95 2c1q n ARG 89 N -4.47 0.94 -0.97 0.04 1.74 -1.26 -4.78 116.66 107.89 2c1q n ARG 89 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2c1q n ARG 89 Cb 0.35 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2c1q n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c1q n GLY 90 N 0.46 0.50 3.70 -0.13 0.00 -1.19 -5.00 105.19 103.53 2c1q n GLY 90 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2c1q n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2c1q s LYS 91 N -0.36 4.50 0.04 1.61 2.20 -1.26 -4.77 119.74 121.71 2c1q s LYS 91 Ca 0.00 1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 56.89 2c1q s LYS 91 Cb 0.00 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 2c1q s LYS 91 CO 0.00 -0.16 0.43 -1.21 -0.36 0.00 0.00 175.35 174.05 2c1q s GLU 92 N 1.41 3.89 -0.07 4.03 2.02 -1.26 -0.88 118.70 127.85 2c1q s GLU 92 Ca 0.51 0.37 -0.04 0.00 0.02 0.00 0.00 54.97 55.83 2c1q s GLU 92 Cb -0.20 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 30.94 2c1q s GLU 92 CO 0.24 0.63 0.17 -1.64 0.02 0.00 0.00 175.26 174.67 2c1q s MET 93 N -1.42 0.13 -0.30 1.61 -1.94 0.63 -4.33 119.30 113.68 2c1q s MET 93 Ca 0.28 0.37 -0.18 0.00 -1.71 0.00 0.00 55.69 54.45 2c1q s MET 93 Cb -0.16 -0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.56 2c1q s MET 93 CO 0.16 -0.13 0.50 -0.51 -0.01 0.00 0.00 175.02 175.02 2c1q s LEU 94 N 0.94 4.19 -0.28 -0.03 1.43 -0.13 -0.56 118.68 124.24 2c1q s LEU 94 Ca -0.07 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2c1q s LEU 94 Cb -0.09 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2c1q s LEU 94 CO -0.05 -0.37 0.47 -1.61 0.23 0.00 0.00 176.35 175.02 2c1q s GLU 95 N 2.33 3.95 0.04 1.70 0.41 -0.39 -0.98 118.70 125.77 2c1q s GLU 95 Ca 0.19 0.12 0.04 0.00 -0.41 0.00 0.00 54.97 54.92 2c1q s GLU 95 Cb -0.16 -3.69 -0.02 0.00 -1.78 0.00 0.00 34.13 28.48 2c1q s GLU 95 CO 0.11 -0.40 -0.12 -1.64 -0.49 0.00 0.00 175.26 172.73 2c1q s MET 96 N 2.26 0.78 0.12 1.61 -1.94 -0.73 -1.94 119.30 119.46 2c1q s MET 96 Ca 0.19 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.50 2c1q s MET 96 Cb -0.16 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.92 2c1q s MET 96 CO 0.10 0.17 -0.21 0.00 -0.01 0.00 0.00 175.02 175.08 2c1q s ALA 97 N -0.99 1.90 0.07 3.03 0.00 0.51 -1.42 121.76 124.87 2c1q s ALA 97 Ca -0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2c1q s ALA 97 Cb -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 2c1q s ALA 97 CO 0.01 0.34 0.17 1.67 0.00 0.00 0.00 175.76 177.95 2c1q s TRP 98 N -1.40 0.15 -0.07 0.00 1.48 -0.31 -0.12 118.94 118.67 2c1q s TRP 98 Ca 0.09 -0.53 0.02 0.00 -1.06 0.00 0.00 56.10 54.63 2c1q s TRP 98 Cb -0.09 -0.08 0.02 0.00 -1.16 0.00 0.00 33.47 32.16 2c1q s TRP 98 CO 0.05 -0.49 -0.11 -0.51 -4.06 0.00 0.00 176.95 171.83 2c1q s LEU 99 N -2.60 1.57 -0.22 -4.66 1.43 -0.75 -2.32 118.68 111.13 2c1q s LEU 99 Ca 0.02 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 2c1q s LEU 99 Cb 0.03 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 2c1q s LEU 99 CO -0.08 0.01 0.01 -0.22 0.23 0.00 0.00 176.35 176.30 2c1q s LEU 100 N 0.78 3.23 -0.29 1.79 2.96 0.92 -1.54 118.68 126.53 2c1q s LEU 100 Ca -0.13 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2c1q s LEU 100 Cb -0.15 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2c1q s LEU 100 CO 0.02 0.02 0.03 -0.60 -1.32 0.00 0.00 176.35 174.50 2c1q s ARG 101 N 1.28 2.89 0.24 1.98 6.06 0.65 -1.10 118.95 130.94 2c1q s ARG 101 Ca 0.04 -0.98 -0.22 0.00 -2.50 0.00 0.00 55.73 52.08 2c1q s ARG 101 Cb -0.15 -3.24 -0.09 0.00 0.06 0.00 0.00 34.95 31.54 2c1q s ARG 101 CO 0.01 -0.47 0.78 -1.21 -2.50 0.00 0.00 175.30 171.91 2c1q s GLU 102 N 1.41 4.36 0.11 5.12 2.02 -0.03 -1.26 118.70 130.43 2c1q s GLU 102 Ca 0.00 1.00 -0.31 0.00 0.02 0.00 0.00 54.97 55.69 2c1q s GLU 102 Cb -0.18 -2.90 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 2c1q s GLU 102 CO -0.00 0.39 1.28 -2.00 0.02 0.00 0.00 175.26 174.95 2c1q s GLU 103 N -1.90 4.39 0.11 1.61 2.12 -1.26 -4.84 118.70 118.93 2c1q s GLU 103 Ca 0.44 1.93 0.10 0.00 0.36 0.00 0.00 54.97 57.79 2c1q s GLU 103 Cb -0.18 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2c1q s GLU 103 CO 0.22 -0.31 -0.22 0.14 -0.54 0.00 0.00 175.26 174.54 2c1q s VAL 104 N 0.89 2.55 0.21 3.70 -7.23 -1.26 -5.03 120.40 114.24 2c1q s VAL 104 Ca 0.60 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 2c1q s VAL 104 Cb -0.33 -2.14 0.16 0.00 0.56 0.00 0.00 36.38 34.63 2c1q s VAL 104 CO 0.31 0.13 1.79 1.55 -0.31 0.00 0.00 175.10 178.57 2c1q h PRO 105 N 3.91 1.15 -4.68 4.82 0.13 -1.96 -3.46 132.00 131.92 2c1q h PRO 105 Ca -0.50 -0.18 -0.26 0.00 -0.87 0.00 0.00 66.00 64.18 2c1q h PRO 105 Cb 1.17 -0.20 -0.15 0.00 0.13 0.00 0.00 31.00 31.95 2c1q h PRO 105 CO 0.43 0.91 -0.65 -1.54 -0.23 0.00 0.00 178.00 176.92 2c1q s SER 106 N -6.26 0.87 0.53 1.44 1.04 -1.26 -5.03 113.70 105.03 2c1q s SER 106 Ca -0.13 -1.23 0.22 0.00 0.48 0.00 0.00 55.95 55.30 2c1q s SER 106 Cb 0.15 0.19 1.37 0.00 0.10 0.00 0.00 66.02 67.84 2c1q s SER 106 CO 0.83 -0.66 2.06 -0.09 0.98 0.00 0.00 173.24 176.36 2c1q h ARG 107 N 2.70 0.00 0.00 4.02 2.43 -2.03 -1.66 114.38 119.83 2c1q h ARG 107 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2c1q h ARG 107 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2c1q h ARG 107 CO 0.61 0.00 0.00 1.57 -1.51 0.00 0.00 179.97 180.64 2c1q h LYS 108 N 0.00 0.00 -0.01 0.20 2.10 -1.99 -2.27 116.57 114.60 2c1q h LYS 108 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2c1q h LYS 108 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2c1q h LYS 108 CO -0.00 0.00 -0.02 -0.25 -2.00 0.00 0.00 179.45 177.17 2c1q n ASP 109 N -2.97 1.29 0.12 7.07 8.00 -0.62 -4.32 116.55 125.11 2c1q n ASP 109 Ca 0.02 -1.38 0.05 0.00 0.71 0.00 0.00 54.79 54.19 2c1q n ASP 109 Cb 0.34 0.01 0.50 0.00 -0.02 0.00 0.00 41.12 41.96 2c1q n ASP 109 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2c1q h THR 110 N 1.98 1.08 -0.96 -3.53 1.35 -1.51 -2.88 112.91 108.44 2c1q h THR 110 Ca 0.00 -0.21 0.25 0.00 -0.55 0.00 0.00 66.41 65.90 2c1q h THR 110 Cb 0.45 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 67.61 2c1q h THR 110 CO 0.00 0.08 0.65 4.11 -0.25 0.00 0.00 175.52 180.12 2c1q h TRP 111 N 0.29 0.36 -0.69 4.73 5.08 -1.81 -1.31 115.95 122.60 2c1q h TRP 111 Ca 0.08 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.06 2c1q h TRP 111 Cb 0.03 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.08 2c1q h TRP 111 CO 0.00 0.07 0.00 0.36 -1.28 0.00 0.00 178.44 177.59 2c1q n LYS 112 N -4.43 2.70 0.00 0.12 2.85 -1.09 -4.63 118.16 113.68 2c1q n LYS 112 Ca 0.21 -2.62 0.14 0.00 -1.05 0.00 0.00 58.31 54.99 2c1q n LYS 112 Cb 0.87 -1.56 0.54 0.00 -0.65 0.00 0.00 35.03 34.23 2c1q n LYS 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c1q n ALA 113 N 1.63 2.79 -3.95 0.58 0.00 -0.49 -4.81 120.51 116.26 2c1q n ALA 113 Ca 0.24 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2c1q n ALA 113 Cb 0.62 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 2c1q n ALA 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c1q s THR 114 N -2.74 1.31 0.07 0.00 2.01 -1.26 -0.85 115.64 114.18 2c1q s THR 114 Ca 0.21 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 2c1q s THR 114 Cb 0.19 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2c1q s THR 114 CO 0.54 0.28 0.22 -0.13 -0.69 0.00 0.00 174.62 174.84 2c1q s ARG 115 N 1.57 3.45 0.11 4.92 0.52 -0.26 -4.92 118.95 124.34 2c1q s ARG 115 Ca 0.02 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 2c1q s ARG 115 Cb -0.14 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2c1q s ARG 115 CO -0.09 0.60 -0.16 0.54 0.02 0.00 0.00 175.30 176.21 2c1q s VAL 116 N -1.53 1.39 -0.00 3.52 0.11 -1.26 -0.05 120.40 122.58 2c1q s VAL 116 Ca 0.35 -1.62 -0.10 0.00 -2.93 0.00 0.00 61.98 57.69 2c1q s VAL 116 Cb -0.13 -1.46 0.03 0.00 -1.53 0.00 0.00 36.38 33.29 2c1q s VAL 116 CO 0.28 -0.31 0.46 0.61 -3.33 0.00 0.00 175.10 172.81 2c1q n GLY 117 N 0.77 0.54 3.33 6.54 0.00 -0.98 -5.00 105.19 110.39 2c1q n GLY 117 Ca -0.17 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 2c1q n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1q s THR 118 N -2.13 1.61 0.03 2.61 -4.23 -1.26 -1.16 115.64 111.10 2c1q s THR 118 Ca 0.11 -2.18 -0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2c1q s THR 118 Cb -0.00 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 2c1q s THR 118 CO -0.00 -0.61 -0.03 0.20 -0.54 0.00 0.00 174.62 173.64 2c1q s ASN 119 N -3.29 0.35 -0.14 3.99 0.02 -0.50 -4.97 114.94 110.39 2c1q s ASN 119 Ca 0.22 -0.67 0.02 0.00 -1.02 0.00 0.00 52.86 51.41 2c1q s ASN 119 Cb 0.00 0.13 0.01 0.00 0.02 0.00 0.00 41.25 41.42 2c1q s ASN 119 CO 0.06 -0.39 -0.19 -0.69 0.02 0.00 0.00 177.10 175.91 2c1q s VAL 120 N -2.26 1.83 -0.04 1.60 1.01 -1.26 -1.78 120.40 119.50 2c1q s VAL 120 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2c1q s VAL 120 Cb -0.04 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2c1q s VAL 120 CO -0.04 0.50 -0.03 -0.36 0.00 0.00 0.00 175.10 175.18 2c1q s PHE 121 N 1.04 3.04 0.20 5.22 0.08 -0.15 -2.96 117.98 124.46 2c1q s PHE 121 Ca -0.03 0.09 0.09 0.00 0.12 0.00 0.00 56.93 57.19 2c1q s PHE 121 Cb -0.15 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 2c1q s PHE 121 CO -0.05 0.42 -0.16 0.95 -0.10 0.00 0.00 175.22 176.28 2c1q s THR 122 N -0.94 1.86 0.10 0.64 -4.23 0.35 -0.95 115.64 112.47 2c1q s THR 122 Ca 0.15 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.22 2c1q s THR 122 Cb -0.11 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.64 2c1q s THR 122 CO 0.05 -0.48 1.37 -0.60 -0.54 0.00 0.00 174.62 174.42 2c1q s ARG 123 N -3.34 4.33 0.17 3.99 3.52 -1.26 -0.22 118.95 126.13 2c1q s ARG 123 Ca 0.21 2.03 -0.31 0.00 -0.13 0.00 0.00 55.73 57.53 2c1q s ARG 123 Cb -0.03 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 29.98 2c1q s ARG 123 CO 0.08 -0.43 1.42 0.08 -0.81 0.00 0.00 175.30 175.64 2c1q s VAL 124 N 1.21 3.01 -2.00 7.11 1.01 -0.76 -4.87 120.40 125.11 2c1q s VAL 124 Ca 0.64 0.77 0.16 0.00 0.00 0.00 0.00 61.98 63.54 2c1q s VAL 124 Cb -0.35 -3.49 0.45 0.00 0.00 0.00 0.00 36.38 32.98 2c1q s VAL 124 CO 0.30 0.08 1.36 0.29 0.00 0.00 0.00 175.10 177.12