#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qab n PRO 11 N 0.00 0.00 -1.83 0.00 -0.04 -1.26 -4.98 135.00 126.89 1qab n PRO 11 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1qab n PRO 11 Cb 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.51 1qab n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1qab s LEU 12 N 0.00 3.53 0.12 1.53 2.96 -1.26 -3.70 118.68 121.87 1qab s LEU 12 Ca 0.00 2.32 -0.12 0.00 -0.22 0.00 0.00 54.13 56.11 1qab s LEU 12 Cb 0.00 -4.59 0.01 0.00 0.50 0.00 0.00 46.19 42.11 1qab s LEU 12 CO 0.00 -1.77 0.30 -0.32 -1.32 0.00 0.00 176.35 173.25 1qab s MET 13 N -3.60 1.02 -0.27 1.98 1.75 -1.02 -4.68 119.30 114.48 1qab s MET 13 Ca 0.75 -0.92 -0.02 0.00 -1.25 0.00 0.00 55.69 54.26 1qab s MET 13 Cb -0.28 0.40 0.12 0.00 2.84 0.00 0.00 34.83 37.91 1qab s MET 13 CO 0.37 -0.37 0.27 0.08 -0.65 0.00 0.00 175.02 174.72 1qab s VAL 14 N -3.87 -0.37 -0.10 10.11 1.01 -1.26 -2.80 120.40 123.13 1qab s VAL 14 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1qab s VAL 14 Cb 0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1qab s VAL 14 CO -0.08 -0.42 0.08 -0.75 0.00 0.00 0.00 175.10 173.92 1qab s LYS 15 N 2.34 3.22 -0.02 2.72 2.20 0.16 -2.55 119.74 127.81 1qab s LYS 15 Ca 0.09 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 1qab s LYS 15 Cb -0.15 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1qab s LYS 15 CO -0.28 0.74 -0.01 0.08 -0.36 0.00 0.00 175.35 175.52 1qab s VAL 16 N -0.98 0.17 0.05 4.02 1.01 -0.96 -0.36 120.40 123.35 1qab s VAL 16 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1qab s VAL 16 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1qab s VAL 16 CO 0.04 0.10 -0.09 -0.76 0.00 0.00 0.00 175.10 174.39 1qab s LEU 17 N 0.56 2.25 -0.10 3.92 1.43 0.36 -1.05 118.68 126.05 1qab s LEU 17 Ca -0.05 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 1qab s LEU 17 Cb -0.08 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1qab s LEU 17 CO -0.01 -0.16 0.75 -0.62 0.23 0.00 0.00 176.35 176.54 1qab s ASP 18 N -1.55 6.98 -0.19 2.29 -1.08 0.53 -1.01 116.67 122.65 1qab s ASP 18 Ca -0.08 1.19 0.13 0.00 -0.52 0.00 0.00 52.55 53.27 1qab s ASP 18 Cb -0.10 -2.43 0.71 0.00 -1.46 0.00 0.00 42.92 39.65 1qab s ASP 18 CO 0.01 -0.22 1.59 0.00 0.52 0.00 0.00 175.17 177.07 1qab n ALA 19 N 4.30 3.61 0.00 3.66 0.00 -0.37 -2.03 120.51 129.68 1qab n ALA 19 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1qab n ALA 19 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1qab n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qab n VAL 20 N 0.63 0.00 0.61 0.00 0.31 -1.26 -4.75 118.33 113.87 1qab n VAL 20 Ca 0.24 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.65 1qab n VAL 20 Cb 1.04 -0.54 0.07 0.00 -0.91 0.00 0.00 33.84 33.50 1qab n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qab n ARG 21 N -1.80 1.23 -3.32 5.55 1.74 -1.26 -5.02 116.66 113.79 1qab n ARG 21 Ca 0.00 -1.46 -0.19 0.00 -0.77 0.00 0.00 57.85 55.43 1qab n ARG 21 Cb 0.34 -1.30 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1qab n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qab n GLY 22 N 0.87 -0.10 3.60 -0.13 0.00 -0.86 -4.97 105.19 103.61 1qab n GLY 22 Ca 0.09 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.68 1qab n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qab s SER 23 N -1.29 -0.12 1.19 1.61 1.04 -1.22 -5.01 113.70 109.91 1qab s SER 23 Ca 0.19 0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.49 1qab s SER 23 Cb -0.02 0.13 0.30 0.00 0.10 0.00 0.00 66.02 66.52 1qab s SER 23 CO 0.46 -0.21 1.02 -2.84 0.98 0.00 0.00 173.24 172.65 1qab s PRO 24 N -2.34 -1.16 -0.76 4.02 0.02 -1.26 -0.35 135.00 133.18 1qab s PRO 24 Ca 0.09 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 61.71 1qab s PRO 24 Cb -0.01 -1.54 0.20 0.00 0.02 0.00 0.00 34.50 33.17 1qab s PRO 24 CO -0.04 -3.85 0.66 0.00 -0.33 0.00 0.00 177.00 173.44 1qab s ALA 25 N -2.48 3.92 0.50 -1.55 0.00 -0.22 -4.13 121.76 117.81 1qab s ALA 25 Ca 0.68 -3.28 -0.20 0.00 0.00 0.00 0.00 51.96 49.16 1qab s ALA 25 Cb -0.23 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1qab s ALA 25 CO 0.64 -2.22 1.05 -1.50 0.00 0.00 0.00 175.76 173.73 1qab s ILE 26 N 0.13 3.75 -0.78 0.00 2.07 -1.26 -4.32 121.20 120.79 1qab s ILE 26 Ca 0.17 1.07 -0.05 0.00 -1.41 0.00 0.00 60.65 60.43 1qab s ILE 26 Cb -0.14 -3.43 0.01 0.00 0.13 0.00 0.00 42.46 39.03 1qab s ILE 26 CO -0.07 -0.25 0.61 0.59 -1.91 0.00 0.00 174.94 173.91 1qab n ASN 27 N -1.07 -4.87 -4.02 4.50 4.13 -1.08 -4.96 115.26 107.89 1qab n ASN 27 Ca 0.09 -0.89 -0.31 0.00 1.68 0.00 0.00 54.58 55.15 1qab n ASN 27 Cb 0.52 -1.60 -0.15 0.00 -1.54 0.00 0.00 39.78 37.01 1qab n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qab s VAL 28 N -2.80 2.01 0.43 2.41 1.01 -1.26 -4.85 120.40 117.34 1qab s VAL 28 Ca 0.05 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.09 1qab s VAL 28 Cb -0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1qab s VAL 28 CO 0.90 -0.18 1.24 0.00 0.00 0.00 0.00 175.10 177.06 1qab n ALA 29 N 4.46 1.17 -3.72 5.51 0.00 -1.26 -2.42 120.51 124.26 1qab n ALA 29 Ca -0.10 0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 1qab n ALA 29 Cb 0.42 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 1qab n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qab s VAL 30 N -1.21 0.14 -0.14 0.00 1.01 0.14 -1.15 120.40 119.19 1qab s VAL 30 Ca 0.62 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1qab s VAL 30 Cb -0.51 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1qab s VAL 30 CO 0.57 0.15 -0.21 -1.00 0.00 0.00 0.00 175.10 174.61 1qab s HIS 31 N 1.14 2.64 -0.06 5.22 3.76 -0.16 -2.01 115.29 125.83 1qab s HIS 31 Ca -0.08 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 1qab s HIS 31 Cb -0.13 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1qab s HIS 31 CO -0.02 -0.63 -0.03 0.08 -0.85 0.00 0.00 174.74 173.29 1qab s VAL 32 N 0.87 3.98 0.04 -0.90 1.01 0.64 0.49 120.40 126.52 1qab s VAL 32 Ca -0.06 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1qab s VAL 32 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1qab s VAL 32 CO -0.03 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1qab s PHE 33 N -0.88 0.58 -0.13 5.22 0.40 -0.65 -1.15 117.98 121.37 1qab s PHE 33 Ca 0.14 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1qab s PHE 33 Cb -0.11 -0.36 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1qab s PHE 33 CO 0.03 -0.12 -0.18 0.50 0.70 0.00 0.00 175.22 176.15 1qab s ARG 34 N -1.73 2.59 -0.08 0.44 3.52 0.01 0.33 118.95 124.03 1qab s ARG 34 Ca -0.10 -0.69 -0.36 0.00 -0.13 0.00 0.00 55.73 54.45 1qab s ARG 34 Cb -0.09 -2.16 -0.14 0.00 -1.56 0.00 0.00 34.95 31.00 1qab s ARG 34 CO -0.00 -0.07 1.72 1.17 -0.81 0.00 0.00 175.30 177.31 1qab n LYS 35 N 4.22 1.73 -2.32 5.12 4.81 -0.96 -2.03 118.16 128.74 1qab n LYS 35 Ca -0.19 0.63 -0.25 0.00 -0.87 0.00 0.00 58.31 57.63 1qab n LYS 35 Cb 0.51 -2.39 0.06 0.00 0.02 0.00 0.00 35.03 33.23 1qab n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qab s ALA 36 N 2.92 3.34 0.37 3.14 0.00 0.12 -4.75 121.76 126.90 1qab s ALA 36 Ca 0.91 -1.05 0.23 0.00 0.00 0.00 0.00 51.96 52.04 1qab s ALA 36 Cb -0.84 -2.46 1.33 0.00 0.00 0.00 0.00 23.12 21.15 1qab s ALA 36 CO 0.53 -1.19 1.51 0.00 0.00 0.00 0.00 175.76 176.62 1qab n ALA 37 N -2.79 1.06 -0.94 0.00 0.00 -1.26 -1.21 120.51 115.36 1qab n ALA 37 Ca 0.08 0.95 -0.22 0.00 0.00 0.00 0.00 53.44 54.26 1qab n ALA 37 Cb 0.60 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.13 1qab n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qab n ASP 38 N -5.06 6.34 -1.77 0.00 5.68 -1.26 -4.86 116.55 115.62 1qab n ASP 38 Ca 0.37 -3.26 -0.13 0.00 -0.50 0.00 0.00 54.79 51.26 1qab n ASP 38 Cb 1.30 -0.98 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1qab n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qab n ASP 39 N -0.15 -3.76 -4.19 -1.12 2.03 -0.35 -4.92 116.55 104.09 1qab n ASP 39 Ca 0.41 0.27 -0.33 0.00 0.52 0.00 0.00 54.79 55.66 1qab n ASP 39 Cb 0.71 -3.38 -0.16 0.00 -0.72 0.00 0.00 41.12 37.57 1qab n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qab s THR 40 N -2.33 2.15 0.37 5.18 -1.32 -1.25 -4.87 115.64 113.57 1qab s THR 40 Ca 0.00 -0.95 -0.28 0.00 -1.21 0.00 0.00 61.69 59.25 1qab s THR 40 Cb 0.00 -1.86 -0.10 0.00 -1.51 0.00 0.00 72.50 69.02 1qab s THR 40 CO 0.00 0.55 1.40 0.26 -2.21 0.00 0.00 174.62 174.62 1qab s TRP 41 N 0.77 2.75 -0.02 9.09 0.52 -1.26 0.13 118.94 130.92 1qab s TRP 41 Ca -0.08 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.37 1qab s TRP 41 Cb -0.16 -3.87 -0.01 0.00 -1.15 0.00 0.00 33.47 28.29 1qab s TRP 41 CO -0.01 -2.52 -0.15 -1.21 0.02 0.00 0.00 176.95 173.08 1qab s GLU 42 N -2.04 1.37 0.21 4.98 0.41 -0.86 -4.84 118.70 117.92 1qab s GLU 42 Ca 0.52 -0.55 -0.32 0.00 -0.41 0.00 0.00 54.97 54.22 1qab s GLU 42 Cb -0.43 -1.28 -0.12 0.00 -1.78 0.00 0.00 34.13 30.52 1qab s GLU 42 CO 0.58 0.29 1.72 -2.14 -0.49 0.00 0.00 175.26 175.22 1qab s PRO 43 N -0.22 4.13 0.00 0.39 0.02 -1.26 -0.81 135.00 137.25 1qab s PRO 43 Ca 0.03 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1qab s PRO 43 Cb -0.08 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1qab s PRO 43 CO 0.00 -0.75 0.00 0.34 -0.33 0.00 0.00 177.00 176.27 1qab n PHE 44 N 3.99 0.00 -3.55 6.54 7.35 -0.30 -4.80 117.46 126.68 1qab n PHE 44 Ca 0.16 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 1qab n PHE 44 Cb 0.35 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.14 1qab n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qab s ALA 45 N -1.57 -1.90 0.15 3.13 0.00 -1.09 -4.99 121.76 115.50 1qab s ALA 45 Ca 0.00 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 1qab s ALA 45 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1qab s ALA 45 CO 0.00 -0.44 0.26 0.45 0.00 0.00 0.00 175.76 176.03 1qab s SER 46 N -1.58 0.06 0.00 0.00 0.15 -1.26 -0.26 113.70 110.81 1qab s SER 46 Ca 0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1qab s SER 46 Cb -0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1qab s SER 46 CO -0.02 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1qab n GLY 47 N -0.18 1.22 2.93 9.45 0.00 -0.85 -4.94 105.19 112.82 1qab n GLY 47 Ca -0.09 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 1qab n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qab s LYS 48 N -1.93 0.62 0.62 1.61 1.02 -1.26 0.25 119.74 120.66 1qab s LYS 48 Ca 0.00 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.66 1qab s LYS 48 Cb 0.00 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.60 1qab s LYS 48 CO 0.00 0.03 0.36 0.25 -0.92 0.00 0.00 175.35 175.07 1qab n THR 49 N 3.47 1.66 -2.19 2.17 -2.24 -1.01 -4.76 114.28 111.38 1qab n THR 49 Ca -0.19 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1qab n THR 49 Cb 0.54 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1qab n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qab n SER 50 N 0.74 0.00 0.04 3.42 3.41 0.16 -2.64 113.62 118.75 1qab n SER 50 Ca 0.10 -0.45 0.06 0.00 -0.26 0.00 0.00 58.87 58.32 1qab n SER 50 Cb 0.48 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.72 1qab n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qab n GLU 51 N -0.45 0.05 -0.74 4.33 -0.58 -1.26 -2.34 120.64 119.65 1qab n GLU 51 Ca 0.00 0.39 -0.01 0.00 -0.42 0.00 0.00 57.16 57.12 1qab n GLU 51 Cb 0.00 -1.61 0.20 0.00 -0.57 0.00 0.00 31.44 29.46 1qab n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1qab n SER 52 N -1.71 2.34 0.00 1.62 3.41 -1.26 -4.85 113.62 113.17 1qab n SER 52 Ca 0.02 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1qab n SER 52 Cb 0.12 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1qab n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qab n GLY 53 N -1.11 0.75 3.91 5.00 0.00 -0.99 -4.92 105.19 107.83 1qab n GLY 53 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 1qab n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qab s GLU 54 N 0.00 3.61 -0.46 1.61 2.02 -1.26 -2.25 118.70 121.97 1qab s GLU 54 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 54.97 55.04 1qab s GLU 54 Cb 0.00 -2.61 0.18 0.00 0.10 0.00 0.00 34.13 31.80 1qab s GLU 54 CO 0.00 0.15 0.38 -0.11 0.02 0.00 0.00 175.26 175.70 1qab n LEU 55 N -1.19 0.16 -4.81 1.80 0.00 -1.06 0.40 117.00 112.30 1qab n LEU 55 Ca -0.02 -4.54 -0.31 0.00 0.00 0.00 0.00 56.01 51.15 1qab n LEU 55 Cb 0.54 0.33 0.07 0.00 0.00 0.00 0.00 43.42 44.36 1qab n LEU 55 CO 0.48 1.86 0.71 -1.00 0.00 0.00 0.00 177.39 179.44 1qab s HIS 56 N -0.30 3.00 -0.97 1.96 3.76 -1.26 -4.26 115.29 117.22 1qab s HIS 56 Ca 0.32 1.33 -0.05 0.00 -0.15 0.00 0.00 55.06 56.51 1qab s HIS 56 Cb 0.04 -2.97 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1qab s HIS 56 CO -0.19 -1.43 0.84 0.41 -0.85 0.00 0.00 174.74 173.52 1qab n GLY 57 N -2.01 -0.16 0.14 -2.22 0.00 -1.26 -4.96 105.19 94.72 1qab n GLY 57 Ca 0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1qab n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qab h LEU 58 N -1.85 0.59 -7.81 0.99 3.38 -1.85 -3.48 115.31 105.29 1qab h LEU 58 Ca -0.43 -0.80 -0.05 0.00 0.09 0.00 0.00 57.88 56.69 1qab h LEU 58 Cb 1.27 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1qab h LEU 58 CO 0.40 1.33 -0.10 0.28 0.09 0.00 0.00 178.44 180.44 1qab s THR 59 N -3.04 0.04 0.29 0.22 -1.32 -1.26 -4.83 115.64 105.74 1qab s THR 59 Ca -0.13 -0.99 0.01 0.00 -1.21 0.00 0.00 61.69 59.37 1qab s THR 59 Cb 0.03 -1.66 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1qab s THR 59 CO 0.85 -0.19 0.48 0.42 -2.21 0.00 0.00 174.62 173.96 1qab s THR 60 N -3.90 5.16 0.03 5.08 -4.23 -1.26 -4.59 115.64 111.93 1qab s THR 60 Ca 0.12 -0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 59.78 1qab s THR 60 Cb 0.01 -3.84 -0.17 0.00 1.34 0.00 0.00 72.50 69.84 1qab s THR 60 CO -0.02 -0.43 1.33 -0.33 -0.54 0.00 0.00 174.62 174.63 1qab h GLU 61 N 1.09 -0.80 -0.58 3.99 5.08 -1.99 0.40 114.58 121.77 1qab h GLU 61 Ca -0.50 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1qab h GLU 61 Cb 1.22 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.53 1qab h GLU 61 CO 0.62 -0.48 -0.21 1.49 -1.00 0.00 0.00 179.01 179.43 1qab h GLU 62 N -1.03 -0.07 0.21 2.33 4.57 -2.04 -0.05 114.58 118.51 1qab h GLU 62 Ca -0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1qab h GLU 62 Cb 0.68 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1qab h GLU 62 CO 0.14 -0.05 -0.10 0.37 -1.18 0.00 0.00 179.01 178.19 1qab h GLN 63 N -0.07 -0.27 -5.24 1.92 4.15 -1.94 -3.39 115.11 110.26 1qab h GLN 63 Ca 0.27 0.02 -0.24 0.00 0.77 0.00 0.00 58.65 59.47 1qab h GLN 63 Cb 0.49 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 1qab h GLN 63 CO -0.63 -0.13 1.08 0.34 -1.93 0.00 0.00 178.83 177.55 1qab n PHE 64 N -5.18 0.79 -3.28 3.99 7.35 0.14 -4.90 117.46 116.37 1qab n PHE 64 Ca -0.09 0.05 -0.14 0.00 -0.76 0.00 0.00 57.45 56.51 1qab n PHE 64 Cb 0.16 -1.96 0.03 0.00 0.35 0.00 0.00 39.48 38.06 1qab n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1qab n VAL 65 N 7.54 0.00 -1.98 -2.13 0.24 -1.26 -4.87 118.33 115.87 1qab n VAL 65 Ca 0.54 -1.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.18 1qab n VAL 65 Cb 0.32 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1qab n VAL 65 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1qab s GLU 66 N -3.67 3.59 0.00 7.34 -1.05 -1.26 -4.75 118.70 118.90 1qab s GLU 66 Ca 0.34 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.01 1qab s GLU 66 Cb -0.03 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1qab s GLU 66 CO 0.21 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.26 1qab n GLY 67 N -2.25 3.12 3.75 -3.83 0.00 -1.25 -4.98 105.19 99.75 1qab n GLY 67 Ca 0.06 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 1qab n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 68 N -1.99 4.03 0.08 -0.61 1.01 -1.26 -1.92 121.20 120.54 1qab s ILE 68 Ca 0.00 2.02 0.08 0.00 0.00 0.00 0.00 60.65 62.75 1qab s ILE 68 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1qab s ILE 68 CO 0.00 0.47 -0.21 -0.31 0.00 0.00 0.00 174.94 174.89 1qab s TYR 69 N -1.10 1.82 -0.23 3.97 1.51 -0.19 -2.27 117.35 120.87 1qab s TYR 69 Ca 0.42 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1qab s TYR 69 Cb -0.27 -1.03 0.06 0.00 -0.11 0.00 0.00 41.96 40.62 1qab s TYR 69 CO 0.33 0.17 -0.00 0.21 -1.11 0.00 0.00 175.55 175.14 1qab s LYS 70 N -1.63 1.14 0.00 -0.62 2.20 0.15 -2.87 119.74 118.11 1qab s LYS 70 Ca 0.07 -0.78 -0.25 0.00 -0.36 0.00 0.00 55.97 54.65 1qab s LYS 70 Cb -0.10 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1qab s LYS 70 CO 0.03 -0.66 0.77 0.08 -0.36 0.00 0.00 175.35 175.22 1qab s VAL 71 N 1.60 4.86 -0.20 4.02 1.01 -1.16 -1.63 120.40 128.89 1qab s VAL 71 Ca -0.02 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1qab s VAL 71 Cb -0.18 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1qab s VAL 71 CO -0.09 0.30 -0.13 -0.70 0.00 0.00 0.00 175.10 174.49 1qab s GLU 72 N 0.39 2.28 -0.15 2.72 2.12 0.18 -1.82 118.70 124.41 1qab s GLU 72 Ca 0.40 -0.92 -0.13 0.00 0.36 0.00 0.00 54.97 54.68 1qab s GLU 72 Cb -0.20 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1qab s GLU 72 CO 0.22 -0.40 0.28 0.42 -0.54 0.00 0.00 175.26 175.24 1qab s ILE 73 N 1.32 5.31 -1.08 -3.70 1.01 -0.61 -0.98 121.20 122.47 1qab s ILE 73 Ca -0.01 0.53 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 1qab s ILE 73 Cb -0.16 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.78 1qab s ILE 73 CO -0.09 0.42 1.43 -0.62 0.00 0.00 0.00 174.94 176.08 1qab s ASP 74 N 0.29 6.67 -0.12 3.58 2.15 -0.30 -2.57 116.67 126.37 1qab s ASP 74 Ca 0.16 -1.99 -0.17 0.00 0.43 0.00 0.00 52.55 50.98 1qab s ASP 74 Cb -0.13 -2.51 -0.26 0.00 -0.30 0.00 0.00 42.92 39.72 1qab s ASP 74 CO 0.04 -1.24 0.54 0.71 -0.17 0.00 0.00 175.17 175.05 1qab h THR 75 N 6.05 1.07 -0.74 1.71 1.35 -1.87 -3.38 112.91 117.11 1qab h THR 75 Ca 0.25 -2.38 0.21 0.00 -0.55 0.00 0.00 66.41 63.95 1qab h THR 75 Cb 0.97 2.71 -0.03 0.00 -1.73 0.00 0.00 68.15 70.07 1qab h THR 75 CO 1.33 0.66 0.60 0.50 -0.25 0.00 0.00 175.52 178.37 1qab h LYS 76 N -0.42 0.00 0.00 4.72 3.64 -1.74 0.20 116.57 122.97 1qab h LYS 76 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1qab h LYS 76 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1qab h LYS 76 CO 0.03 0.00 -1.42 0.43 -2.27 0.00 0.00 179.45 176.22 1qab n SER 77 N -4.03 0.45 -0.03 4.20 7.64 -1.26 -2.68 113.62 117.91 1qab n SER 77 Ca 0.15 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1qab n SER 77 Cb 0.87 1.21 -0.08 0.00 -1.01 0.00 0.00 64.21 65.20 1qab n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1qab h TYR 78 N 0.00 0.16 0.01 1.43 3.20 -1.19 0.08 116.97 120.65 1qab h TYR 78 Ca 0.00 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1qab h TYR 78 Cb 0.90 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1qab h TYR 78 CO 0.00 0.50 -0.00 -1.49 -1.64 0.00 0.00 178.16 175.53 1qab h TRP 79 N -0.23 -0.01 -0.37 -3.82 -0.00 -1.34 -2.97 115.95 107.22 1qab h TRP 79 Ca 0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1qab h TRP 79 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.59 1qab h TRP 79 CO 0.06 0.25 0.22 0.87 -0.00 0.00 0.00 178.44 179.85 1qab h LYS 80 N -0.27 0.44 0.00 0.49 1.57 -1.38 -1.13 116.57 116.29 1qab h LYS 80 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1qab h LYS 80 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1qab h LYS 80 CO 0.00 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1qab n ALA 81 N -2.22 1.21 0.09 3.86 0.00 0.01 -0.18 120.51 123.28 1qab n ALA 81 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1qab n ALA 81 Cb 0.05 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 1qab n ALA 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qab h LEU 82 N 0.00 0.37 0.00 0.00 5.85 -1.04 -3.48 115.31 117.01 1qab h LEU 82 Ca 0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1qab h LEU 82 Cb 0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1qab h LEU 82 CO 0.00 1.34 0.00 0.61 -0.34 0.00 0.00 178.44 180.05 1qab n GLY 83 N 1.56 1.51 3.17 3.75 0.00 0.75 -5.12 105.19 110.81 1qab n GLY 83 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1qab n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qab s ILE 84 N -2.00 1.44 -0.22 -0.61 1.01 -1.06 -5.03 121.20 114.73 1qab s ILE 84 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1qab s ILE 84 Cb 0.00 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 1qab s ILE 84 CO 0.00 0.41 0.25 -0.55 0.00 0.00 0.00 174.94 175.05 1qab s SER 85 N -0.36 6.25 0.00 3.58 0.15 -1.26 -2.91 113.70 119.16 1qab s SER 85 Ca 0.05 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1qab s SER 85 Cb -0.08 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1qab s SER 85 CO -0.00 0.02 0.00 -0.81 1.20 0.00 0.00 173.24 173.65 1qab n PRO 86 N 4.28 1.40 0.00 5.44 -0.04 -1.26 -4.93 135.00 139.90 1qab n PRO 86 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1qab n PRO 86 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1qab n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qab n PHE 87 N -0.32 0.00 -4.23 0.54 7.35 -1.06 -4.91 117.46 114.84 1qab n PHE 87 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 1qab n PHE 87 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 1qab n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1qab s HIS 88 N 0.00 3.12 -0.07 -5.13 3.76 -1.26 -5.02 115.29 110.68 1qab s HIS 88 Ca 0.00 0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 54.80 1qab s HIS 88 Cb 0.00 -1.67 -0.30 0.00 1.11 0.00 0.00 32.58 31.72 1qab s HIS 88 CO 0.00 0.48 0.79 0.93 -0.85 0.00 0.00 174.74 176.09 1qab h GLU 89 N 4.20 0.26 -2.33 1.40 4.39 -1.98 -3.41 114.58 117.12 1qab h GLU 89 Ca -0.49 -0.45 0.16 0.00 0.34 0.00 0.00 59.36 58.92 1qab h GLU 89 Cb 1.18 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.90 1qab h GLU 89 CO 0.59 1.22 0.48 -3.38 -1.16 0.00 0.00 179.01 176.76 1qab s HIS 90 N -2.43 -0.18 -0.05 4.33 -3.43 -1.26 -2.66 115.29 109.60 1qab s HIS 90 Ca -0.16 -0.08 -0.03 0.00 -0.80 0.00 0.00 55.06 53.99 1qab s HIS 90 Cb 0.02 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 1qab s HIS 90 CO 0.80 -0.76 0.09 0.00 -2.00 0.00 0.00 174.74 172.88 1qab s ALA 91 N -3.25 3.65 0.03 -1.38 0.00 -1.06 -4.97 121.76 114.78 1qab s ALA 91 Ca 0.10 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1qab s ALA 91 Cb -0.01 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1qab s ALA 91 CO -0.01 0.66 -0.18 -2.00 0.00 0.00 0.00 175.76 174.24 1qab s GLU 92 N -1.40 1.23 -0.38 0.00 2.12 -1.26 -1.57 118.70 117.44 1qab s GLU 92 Ca 0.19 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1qab s GLU 92 Cb -0.12 -1.28 0.15 0.00 0.26 0.00 0.00 34.13 33.14 1qab s GLU 92 CO 0.10 0.33 0.26 0.08 -0.54 0.00 0.00 175.26 175.49 1qab s VAL 93 N -0.71 0.29 -0.33 3.70 1.01 -0.76 -5.02 120.40 118.59 1qab s VAL 93 Ca 0.05 -2.11 -0.18 0.00 0.00 0.00 0.00 61.98 59.75 1qab s VAL 93 Cb -0.08 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1qab s VAL 93 CO 0.01 -1.07 0.51 -0.69 0.00 0.00 0.00 175.10 173.86 1qab s VAL 94 N 0.65 5.03 0.22 2.92 1.01 -1.26 -3.01 120.40 125.96 1qab s VAL 94 Ca 0.23 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1qab s VAL 94 Cb -0.13 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1qab s VAL 94 CO -0.07 -0.15 0.19 0.72 0.00 0.00 0.00 175.10 175.79 1qab s PHE 95 N 2.38 1.14 0.05 5.22 -0.71 -1.14 -5.01 117.98 119.91 1qab s PHE 95 Ca 0.19 -1.34 0.01 0.00 -1.04 0.00 0.00 56.93 54.75 1qab s PHE 95 Cb -0.15 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1qab s PHE 95 CO 0.13 -0.72 0.15 0.99 -1.34 0.00 0.00 175.22 174.43 1qab s THR 96 N -4.03 5.06 0.25 -4.49 2.01 -1.26 -1.02 115.64 112.15 1qab s THR 96 Ca 0.37 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1qab s THR 96 Cb 0.05 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1qab s THR 96 CO 0.14 0.17 -0.07 0.00 -0.69 0.00 0.00 174.62 174.17 1qab s ALA 97 N -1.42 2.13 -0.25 7.40 0.00 -0.81 -4.80 121.76 124.00 1qab s ALA 97 Ca 0.31 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 1qab s ALA 97 Cb -0.13 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1qab s ALA 97 CO 0.24 -0.07 0.10 0.09 0.00 0.00 0.00 175.76 176.12 1qab n ASN 98 N -0.49 -0.55 0.09 0.00 3.02 -1.26 -3.80 115.26 112.27 1qab n ASN 98 Ca -0.06 -0.26 -0.20 0.00 -0.03 0.00 0.00 54.58 54.03 1qab n ASN 98 Cb 0.63 -0.31 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 1qab n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1qab h ASP 99 N 1.62 0.58 -0.90 6.41 3.58 -1.95 -3.38 116.42 122.38 1qab h ASP 99 Ca -0.14 -0.74 -0.41 0.00 0.42 0.00 0.00 57.03 56.17 1qab h ASP 99 Cb 0.27 -0.19 -0.41 0.00 1.72 0.00 0.00 39.33 40.73 1qab h ASP 99 CO 0.11 1.60 -1.01 -1.54 -2.88 0.00 0.00 179.24 175.52 1qab n SER 100 N -3.57 2.77 0.00 2.28 3.41 -1.26 -5.07 113.62 112.19 1qab n SER 100 Ca -0.18 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 1qab n SER 100 Cb 1.07 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1qab n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qab n GLY 101 N -0.42 2.67 2.88 5.00 0.00 -1.26 -5.03 105.19 109.03 1qab n GLY 101 Ca 0.21 -1.35 -0.50 0.00 0.00 0.00 0.00 46.02 44.38 1qab n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qab n PRO 102 N 1.71 0.00 -4.40 1.61 -0.02 -1.26 -4.62 135.00 128.02 1qab n PRO 102 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1qab n PRO 102 Cb 0.00 -1.21 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1qab n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1qab s ARG 103 N 0.70 1.55 -0.34 -0.52 1.81 -1.26 -5.04 118.95 115.85 1qab s ARG 103 Ca 0.77 -1.84 0.03 0.00 -1.72 0.00 0.00 55.73 52.96 1qab s ARG 103 Cb -1.08 -0.72 0.09 0.00 -0.45 0.00 0.00 34.95 32.80 1qab s ARG 103 CO 0.52 -0.19 0.04 1.03 -0.68 0.00 0.00 175.30 176.02 1qab s ARG 104 N -3.91 1.69 0.46 3.54 0.52 0.53 -4.85 118.95 116.92 1qab s ARG 104 Ca 0.35 -1.77 -0.20 0.00 -0.52 0.00 0.00 55.73 53.59 1qab s ARG 104 Cb 0.08 -3.21 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 1qab s ARG 104 CO 0.14 -0.89 0.97 0.71 0.02 0.00 0.00 175.30 176.25 1qab s TYR 105 N 0.97 3.32 -0.21 -0.53 4.12 -1.24 -2.96 117.35 120.81 1qab s TYR 105 Ca 0.07 1.57 -0.04 0.00 0.02 0.00 0.00 57.07 58.69 1qab s TYR 105 Cb -0.20 -2.85 0.07 0.00 -1.52 0.00 0.00 41.96 37.46 1qab s TYR 105 CO -0.07 -0.25 0.08 0.99 0.02 0.00 0.00 175.55 176.32 1qab s THR 106 N -2.29 0.23 -0.24 -0.71 2.01 -1.23 -2.45 115.64 110.97 1qab s THR 106 Ca 0.62 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1qab s THR 106 Cb -0.10 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1qab s THR 106 CO 0.19 -0.37 0.14 -0.63 -0.69 0.00 0.00 174.62 173.25 1qab s ILE 107 N 1.98 5.09 0.19 1.82 -1.09 -1.12 -2.42 121.20 125.66 1qab s ILE 107 Ca 0.03 0.09 0.11 0.00 -2.23 0.00 0.00 60.65 58.65 1qab s ILE 107 Cb -0.17 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1qab s ILE 107 CO -0.15 0.34 -0.24 0.00 -1.23 0.00 0.00 174.94 173.66 1qab s ALA 108 N 1.19 2.52 -0.15 9.38 0.00 -1.18 0.36 121.76 133.89 1qab s ALA 108 Ca 0.06 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.32 1qab s ALA 108 Cb -0.14 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.71 1qab s ALA 108 CO 0.05 0.43 0.33 0.00 0.00 0.00 0.00 175.76 176.57 1qab s ALA 109 N -1.67 -0.82 -0.36 0.00 0.00 0.51 -3.07 121.76 116.35 1qab s ALA 109 Ca 0.21 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.34 1qab s ALA 109 Cb -0.08 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1qab s ALA 109 CO 0.10 -0.37 0.15 -1.17 0.00 0.00 0.00 175.76 174.47 1qab s LEU 110 N 1.68 4.50 -0.07 0.00 2.96 -1.13 -0.48 118.68 126.14 1qab s LEU 110 Ca -0.07 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 52.57 1qab s LEU 110 Cb -0.10 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1qab s LEU 110 CO -0.11 -0.36 0.43 -0.76 -1.32 0.00 0.00 176.35 174.24 1qab s LEU 111 N 1.46 4.36 0.15 -0.68 1.43 -0.18 -2.89 118.68 122.32 1qab s LEU 111 Ca -0.00 0.85 0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1qab s LEU 111 Cb -0.20 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1qab s LEU 111 CO 0.04 0.14 -0.17 -0.44 0.23 0.00 0.00 176.35 176.15 1qab s SER 112 N -0.09 2.48 0.14 2.29 0.01 -1.07 -1.23 113.70 116.22 1qab s SER 112 Ca 0.24 -0.84 -0.18 0.00 1.31 0.00 0.00 55.95 56.48 1qab s SER 112 Cb -0.16 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 1qab s SER 112 CO 0.11 -0.06 1.74 -0.65 0.41 0.00 0.00 173.24 174.79 1qab h PRO 113 N 3.38 0.17 -0.01 12.44 0.11 -1.95 -3.19 132.00 142.95 1qab h PRO 113 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qab h PRO 113 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qab h PRO 113 CO 0.50 0.11 -0.69 0.66 -0.21 0.00 0.00 178.00 178.37 1qab n TYR 114 N -5.06 0.00 -3.60 0.65 4.02 -1.26 -2.56 117.16 109.35 1qab n TYR 114 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1qab n TYR 114 Cb 0.10 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 1qab n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qab s SER 115 N -2.70 -0.76 0.40 7.72 0.15 -1.21 -4.94 113.70 112.36 1qab s SER 115 Ca 0.14 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1qab s SER 115 Cb 0.17 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.36 1qab s SER 115 CO 0.70 -0.23 0.01 0.00 1.20 0.00 0.00 173.24 174.91 1qab n TYR 116 N 5.42 0.88 -3.53 3.44 0.18 -1.26 -2.59 117.16 119.70 1qab n TYR 116 Ca -0.09 -1.97 -0.14 0.00 1.88 0.00 0.00 57.90 57.58 1qab n TYR 116 Cb 0.49 -0.27 -0.04 0.00 -0.38 0.00 0.00 39.34 39.14 1qab n TYR 116 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1qab s SER 117 N -3.21 -0.48 -0.08 9.48 1.04 -1.14 -4.99 113.70 114.32 1qab s SER 117 Ca 0.01 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 1qab s SER 117 Cb -0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1qab s SER 117 CO 0.00 -0.78 0.01 0.28 0.98 0.00 0.00 173.24 173.73 1qab s THR 118 N -2.77 0.34 0.42 2.02 -1.32 -1.26 -2.83 115.64 110.23 1qab s THR 118 Ca -0.03 0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1qab s THR 118 Cb -0.00 -0.53 0.01 0.00 -1.51 0.00 0.00 72.50 70.47 1qab s THR 118 CO -0.04 0.22 0.56 0.28 -2.21 0.00 0.00 174.62 173.43 1qab s THR 119 N 1.99 2.97 -0.26 5.08 -1.32 -1.17 -4.99 115.64 117.92 1qab s THR 119 Ca 0.05 -1.02 -0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1qab s THR 119 Cb -0.13 -2.98 0.15 0.00 -1.51 0.00 0.00 72.50 68.03 1qab s THR 119 CO -0.05 0.00 0.41 0.00 -2.21 0.00 0.00 174.62 172.77 1qab s ALA 120 N -2.36 -1.28 -0.70 11.08 0.00 -1.26 -3.10 121.76 124.14 1qab s ALA 120 Ca 0.55 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 1qab s ALA 120 Cb -0.10 -1.85 0.10 0.00 0.00 0.00 0.00 23.12 21.27 1qab s ALA 120 CO 0.33 -1.41 0.91 0.08 0.00 0.00 0.00 175.76 175.66 1qab s VAL 121 N 2.58 4.62 -0.60 0.00 1.01 -1.01 -4.96 120.40 122.04 1qab s VAL 121 Ca 0.13 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 1qab s VAL 121 Cb -0.14 -4.64 0.06 0.00 0.00 0.00 0.00 36.38 31.66 1qab s VAL 121 CO -0.20 -1.35 0.89 -0.69 0.00 0.00 0.00 175.10 173.75 1qab s VAL 122 N 3.18 4.45 -0.67 2.92 1.01 -1.26 -3.48 120.40 126.56 1qab s VAL 122 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1qab s VAL 122 Cb -0.16 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 31.69 1qab s VAL 122 CO 0.04 -1.23 0.67 0.35 0.00 0.00 0.00 175.10 174.93