#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls s GLU 2 N 0.00 1.12 0.26 3.17 8.01 -1.26 -5.11 118.70 124.89 1pls s GLU 2 Ca 0.00 -1.54 -0.29 0.00 0.01 0.00 0.00 54.97 53.15 1pls s GLU 2 Cb 0.00 -0.27 -0.14 0.00 -4.31 0.00 0.00 34.13 29.41 1pls s GLU 2 CO 0.00 -0.13 1.12 -2.30 0.01 0.00 0.00 175.26 173.96 1pls n PRO 3 N -0.25 1.48 -3.86 0.39 -0.02 -1.26 -4.97 135.00 126.52 1pls n PRO 3 Ca -0.06 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1pls n PRO 3 Cb 0.63 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.99 1pls n PRO 3 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1pls s LYS 4 N -1.20 1.19 1.06 -0.52 -2.85 -1.26 -5.11 119.74 111.05 1pls s LYS 4 Ca 0.62 -1.64 -0.12 0.00 -1.00 0.00 0.00 55.97 53.83 1pls s LYS 4 Cb -0.71 -2.62 0.20 0.00 -2.06 0.00 0.00 37.83 32.64 1pls s LYS 4 CO 0.57 -1.00 0.90 0.54 0.10 0.00 0.00 175.35 176.46 1pls n ARG 5 N 4.29 -1.49 -0.02 1.78 3.00 -1.26 -4.92 116.66 118.04 1pls n ARG 5 Ca 0.02 -0.39 -0.13 0.00 -0.01 0.00 0.00 57.85 57.35 1pls n ARG 5 Cb 0.40 -2.16 -0.08 0.00 0.00 0.00 0.00 32.46 30.61 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1pls h ILE 6 N -2.25 1.31 -2.64 0.55 2.04 -1.37 -3.43 117.51 111.71 1pls h ILE 6 Ca -0.53 -0.96 -0.33 0.00 1.00 0.00 0.00 64.86 64.04 1pls h ILE 6 Cb 1.31 1.85 -0.36 0.00 -0.74 0.00 0.00 36.82 38.88 1pls h ILE 6 CO 0.44 0.26 -0.64 -0.13 0.00 0.00 0.00 178.15 178.08 1pls s ARG 7 N -4.65 0.16 -0.08 2.37 1.81 -0.99 -5.01 118.95 112.56 1pls s ARG 7 Ca -0.15 0.21 0.05 0.00 -1.72 0.00 0.00 55.73 54.12 1pls s ARG 7 Cb 0.03 -1.19 -0.01 0.00 -0.45 0.00 0.00 34.95 33.34 1pls s ARG 7 CO 0.69 -0.62 -0.24 -1.83 -0.68 0.00 0.00 175.30 172.62 1pls s GLU 8 N 2.30 2.82 0.00 3.54 1.03 -1.26 -1.43 118.70 125.70 1pls s GLU 8 Ca 0.06 -0.88 0.00 0.00 0.03 0.00 0.00 54.97 54.18 1pls s GLU 8 Cb -0.15 -2.25 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 1pls s GLU 8 CO -0.11 0.29 0.00 0.41 -1.33 0.00 0.00 175.26 174.51 1pls n GLY 9 N 3.23 3.24 2.64 -3.83 0.00 -0.76 -5.00 105.19 104.71 1pls n GLY 9 Ca -0.18 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1pls n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pls s TYR 10 N -0.58 0.01 0.27 1.61 1.13 -1.26 -2.20 117.35 116.33 1pls s TYR 10 Ca 0.00 -0.46 0.11 0.00 -1.41 0.00 0.00 57.07 55.31 1pls s TYR 10 Cb 0.00 -0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 40.13 1pls s TYR 10 CO 0.00 -0.78 -0.18 -0.51 -2.51 0.00 0.00 175.55 171.57 1pls s LEU 11 N 2.21 2.59 0.34 -3.49 2.01 -0.05 -4.69 118.68 117.60 1pls s LEU 11 Ca 0.08 -1.04 -0.14 0.00 0.01 0.00 0.00 54.13 53.04 1pls s LEU 11 Cb -0.15 -1.02 -0.08 0.00 0.01 0.00 0.00 46.19 44.94 1pls s LEU 11 CO -0.29 -0.02 0.74 0.54 1.01 0.00 0.00 176.35 178.34 1pls s VAL 12 N -2.59 4.71 0.01 -1.59 0.11 -1.01 -0.19 120.40 119.85 1pls s VAL 12 Ca 0.29 0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 60.19 1pls s VAL 12 Cb -0.04 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1pls s VAL 12 CO 0.14 -0.26 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.89 1pls s LYS 13 N -3.19 0.26 -0.08 1.54 2.20 -0.99 -1.36 119.74 118.12 1pls s LYS 13 Ca 0.53 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1pls s LYS 13 Cb -0.10 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1pls s LYS 13 CO 0.21 -0.04 -0.20 0.21 -0.36 0.00 0.00 175.35 175.16 1pls s LYS 14 N -1.12 2.86 0.00 4.03 2.20 -0.48 -3.68 119.74 123.54 1pls s LYS 14 Ca -0.12 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1pls s LYS 14 Cb -0.08 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1pls s LYS 14 CO -0.01 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1pls n GLY 15 N 3.10 0.32 4.63 5.54 0.00 -1.26 -4.15 105.19 113.37 1pls n GLY 15 Ca -0.18 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 44.84 1pls n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 16 N 0.00 -6.48 -0.32 1.61 7.64 -1.26 -1.81 113.62 113.01 1pls n SER 16 Ca 0.00 0.60 0.21 0.00 1.01 0.00 0.00 58.87 60.69 1pls n SER 16 Cb 0.00 -1.70 0.41 0.00 -1.01 0.00 0.00 64.21 61.91 1pls n SER 16 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1pls h VAL 17 N -0.52 0.18 -0.18 0.44 3.04 -2.04 -1.22 116.25 115.96 1pls h VAL 17 Ca 0.01 -0.05 0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1pls h VAL 17 Cb 0.51 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 1pls h VAL 17 CO 0.00 0.03 -0.11 0.49 -1.01 0.00 0.00 177.57 176.97 1pls n PHE 18 N -5.24 -0.08 -1.64 3.17 3.01 -1.15 -4.67 117.46 110.86 1pls n PHE 18 Ca 0.28 0.23 -0.15 0.00 1.01 0.00 0.00 57.45 58.82 1pls n PHE 18 Cb 0.92 -0.51 -0.05 0.00 -0.01 0.00 0.00 39.48 39.83 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pls n ASN 19 N -3.40 -4.06 -2.45 4.37 4.13 -0.46 -4.86 115.26 108.54 1pls n ASN 19 Ca 0.00 0.32 -0.04 0.00 1.68 0.00 0.00 54.58 56.55 1pls n ASN 19 Cb 0.05 -3.66 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1pls n THR 20 N -2.31 0.00 -3.61 3.41 -2.24 -1.26 -4.81 114.28 103.46 1pls n THR 20 Ca -0.16 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.01 1pls n THR 20 Cb 0.52 -0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 1pls n THR 20 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1pls s TRP 21 N -0.28 1.99 -0.07 4.78 0.52 -1.26 -3.60 118.94 121.03 1pls s TRP 21 Ca 0.06 -2.63 0.04 0.00 0.02 0.00 0.00 56.10 53.58 1pls s TRP 21 Cb -0.00 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1pls s TRP 21 CO 0.04 -0.73 -0.17 0.15 0.02 0.00 0.00 176.95 176.26 1pls s LYS 22 N -0.32 2.68 0.84 4.98 1.02 -1.24 -4.86 119.74 122.84 1pls s LYS 22 Ca 0.27 -0.75 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 1pls s LYS 22 Cb -0.05 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1pls s LYS 22 CO -0.15 0.49 0.46 -2.30 -0.92 0.00 0.00 175.35 172.93 1pls n PRO 23 N 2.70 0.02 -3.82 -1.68 -0.02 -1.26 -2.36 135.00 128.58 1pls n PRO 23 Ca -0.17 0.05 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 1pls n PRO 23 Cb 0.52 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls s MET 24 N -3.18 1.59 -0.03 -0.52 0.23 0.73 -4.78 119.30 113.33 1pls s MET 24 Ca 0.61 -0.88 -0.08 0.00 -1.03 0.00 0.00 55.69 54.31 1pls s MET 24 Cb -0.28 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 1pls s MET 24 CO 0.63 -0.73 0.25 -0.46 -2.03 0.00 0.00 175.02 172.68 1pls s TRP 25 N -3.68 3.61 -0.14 3.16 -0.11 -0.21 -0.87 118.94 120.69 1pls s TRP 25 Ca 0.12 0.62 -0.11 0.00 1.22 0.00 0.00 56.10 57.95 1pls s TRP 25 Cb -0.04 -2.01 0.04 0.00 -1.50 0.00 0.00 33.47 29.96 1pls s TRP 25 CO 0.05 0.66 0.37 0.54 -4.62 0.00 0.00 176.95 173.95 1pls s VAL 26 N -1.19 -0.01 -0.32 5.86 0.11 -0.93 0.06 120.40 123.98 1pls s VAL 26 Ca 0.23 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1pls s VAL 26 Cb -0.13 -0.53 0.10 0.00 -1.53 0.00 0.00 36.38 34.29 1pls s VAL 26 CO 0.12 0.02 0.07 0.68 -3.33 0.00 0.00 175.10 172.66 1pls s VAL 27 N 0.73 1.58 -0.28 2.04 -7.23 -0.81 -1.83 120.40 114.60 1pls s VAL 27 Ca -0.04 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 1pls s VAL 27 Cb -0.05 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1pls s VAL 27 CO -0.05 -0.62 1.23 -1.48 -0.31 0.00 0.00 175.10 173.87 1pls s LEU 28 N 1.26 3.95 0.27 1.32 0.05 -0.51 -2.29 118.68 122.73 1pls s LEU 28 Ca 0.10 1.26 0.06 0.00 0.05 0.00 0.00 54.13 55.59 1pls s LEU 28 Cb -0.18 -3.54 -0.02 0.00 -2.05 0.00 0.00 46.19 40.39 1pls s LEU 28 CO -0.16 -0.96 0.37 -0.76 -0.55 0.00 0.00 176.35 174.28 1pls s LEU 29 N 4.01 4.12 0.21 1.48 1.02 -0.71 -0.97 118.68 127.84 1pls s LEU 29 Ca 0.53 -0.07 0.22 0.00 0.02 0.00 0.00 54.13 54.83 1pls s LEU 29 Cb -0.16 -2.73 0.92 0.00 0.02 0.00 0.00 46.19 44.23 1pls s LEU 29 CO 0.19 -0.18 1.68 -1.84 0.02 0.00 0.00 176.35 176.22 1pls n GLU 30 N -1.44 0.16 0.00 1.70 0.28 -1.26 -2.36 120.64 117.72 1pls n GLU 30 Ca -0.06 0.38 0.06 0.00 -0.16 0.00 0.00 57.16 57.38 1pls n GLU 30 Cb 0.58 -1.80 0.04 0.00 1.43 0.00 0.00 31.44 31.68 1pls n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pls n ASP 31 N -2.11 1.79 0.00 -1.84 8.00 -1.26 -4.73 116.55 116.40 1pls n ASP 31 Ca 0.03 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1pls n ASP 31 Cb 0.23 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pls n GLY 32 N 0.74 4.02 3.62 0.44 0.00 -0.99 -4.27 105.19 108.75 1pls n GLY 32 Ca 0.06 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1pls n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pls s ILE 33 N -1.04 5.18 -0.17 -0.61 1.09 -0.44 -1.73 121.20 123.48 1pls s ILE 33 Ca 0.00 0.58 0.01 0.00 -1.10 0.00 0.00 60.65 60.15 1pls s ILE 33 Cb 0.00 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1pls s ILE 33 CO 0.00 0.18 -0.19 -1.83 -0.10 0.00 0.00 174.94 173.00 1pls s GLU 34 N 1.90 2.87 0.08 2.79 -1.05 -0.97 -0.22 118.70 124.11 1pls s GLU 34 Ca 0.15 -0.78 0.09 0.00 -0.15 0.00 0.00 54.97 54.28 1pls s GLU 34 Cb -0.15 -2.47 -0.03 0.00 -0.44 0.00 0.00 34.13 31.04 1pls s GLU 34 CO 0.09 -0.19 -0.24 -0.59 0.95 0.00 0.00 175.26 175.28 1pls s PHE 35 N 1.26 2.11 0.00 4.83 -0.12 -0.82 -1.93 117.98 123.30 1pls s PHE 35 Ca 0.03 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 1pls s PHE 35 Cb -0.13 -1.20 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 1pls s PHE 35 CO -0.11 0.21 0.00 0.66 -0.05 0.00 0.00 175.22 175.92 1pls n TYR 36 N 1.37 0.00 -0.11 3.49 4.02 0.11 -1.73 117.16 124.30 1pls n TYR 36 Ca -0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.49 1pls n TYR 36 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.73 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.64 -2.85 -0.72 4.81 -1.26 -1.04 118.16 117.74 1pls n LYS 37 Ca 0.00 0.22 -0.16 0.00 -0.87 0.00 0.00 58.31 57.51 1pls n LYS 37 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pls n LYS 38 N -3.64 0.97 0.14 1.64 5.02 -1.26 -1.44 118.16 119.59 1pls n LYS 38 Ca -0.46 -2.09 0.17 0.00 -2.02 0.00 0.00 58.31 53.91 1pls n LYS 38 Cb 0.95 0.19 0.56 0.00 -0.02 0.00 0.00 35.03 36.71 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.94 -3.35 116.57 116.89 1pls h LYS 39 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1pls h LYS 39 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1pls h LYS 39 CO 0.32 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.93 1pls n SER 40 N -3.14 -0.31 -0.05 4.20 7.64 -1.26 -4.95 113.62 115.76 1pls n SER 40 Ca 0.07 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 60.05 1pls n SER 40 Cb 0.82 0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 64.50 1pls n SER 40 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pls n ASP 41 N -2.65 -5.71 -1.46 6.43 2.03 -1.26 -2.96 116.55 110.97 1pls n ASP 41 Ca 0.00 0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 1pls n ASP 41 Cb 0.00 -3.27 -0.01 0.00 -0.72 0.00 0.00 41.12 37.12 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pls n ASN 42 N -0.92 -0.87 -3.15 1.67 5.03 -1.26 -4.76 115.26 111.01 1pls n ASN 42 Ca -0.01 0.16 0.05 0.00 0.87 0.00 0.00 54.58 55.66 1pls n ASN 42 Cb 0.46 -1.11 -0.01 0.00 -1.02 0.00 0.00 39.78 38.10 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pls s SER 43 N -1.42 -0.87 0.18 6.41 0.15 -1.15 -5.14 113.70 111.85 1pls s SER 43 Ca 0.00 0.52 -0.30 0.00 0.70 0.00 0.00 55.95 56.87 1pls s SER 43 Cb 0.00 1.72 -0.08 0.00 -1.71 0.00 0.00 66.02 65.95 1pls s SER 43 CO 0.00 -0.16 1.24 -2.16 1.20 0.00 0.00 173.24 173.36 1pls s PRO 44 N 2.91 4.44 0.20 5.44 0.04 -1.26 -4.56 135.00 142.21 1pls s PRO 44 Ca 0.09 1.94 0.23 0.00 0.04 0.00 0.00 61.00 63.29 1pls s PRO 44 Cb -0.12 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1pls s PRO 44 CO -0.16 -0.17 1.08 -0.22 0.04 0.00 0.00 177.00 177.57 1pls h LYS 45 N 5.46 0.00 -1.14 4.56 3.64 -1.65 -3.48 116.57 123.96 1pls h LYS 45 Ca -0.44 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.12 1pls h LYS 45 Cb 1.21 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.73 1pls h LYS 45 CO 0.76 0.00 0.84 0.20 -2.27 0.00 0.00 179.45 178.99 1pls s GLY 46 N -4.28 0.23 -0.04 5.01 0.00 -1.19 -5.07 107.32 101.98 1pls s GLY 46 Ca 0.00 3.25 0.00 0.00 0.00 0.00 0.00 44.72 47.97 1pls s GLY 46 CO 0.78 1.72 -0.01 1.06 0.00 0.00 0.00 173.10 176.65 1pls s MET 47 N -0.22 0.52 0.03 2.90 -1.94 -1.26 -1.95 119.30 117.38 1pls s MET 47 Ca 0.07 0.04 -0.20 0.00 -1.71 0.00 0.00 55.69 53.89 1pls s MET 47 Cb -0.04 -0.71 -0.06 0.00 2.01 0.00 0.00 34.83 36.03 1pls s MET 47 CO -0.12 -0.17 0.59 0.42 -0.01 0.00 0.00 175.02 175.73 1pls s ILE 48 N 1.26 4.84 0.31 2.53 1.01 0.70 -4.92 121.20 126.93 1pls s ILE 48 Ca -0.06 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 1pls s ILE 48 Cb -0.13 -3.92 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1pls s ILE 48 CO -0.02 0.47 1.15 -2.16 0.00 0.00 0.00 174.94 174.38 1pls s PRO 49 N -0.53 4.49 0.00 2.79 0.04 -1.26 -1.33 135.00 139.20 1pls s PRO 49 Ca 0.30 1.88 0.24 0.00 0.04 0.00 0.00 61.00 63.46 1pls s PRO 49 Cb -0.19 -3.08 1.40 0.00 0.04 0.00 0.00 34.50 32.68 1pls s PRO 49 CO 0.18 0.05 1.77 1.28 0.04 0.00 0.00 177.00 180.32 1pls n LEU 50 N 0.92 0.00 0.00 -3.56 7.99 -1.26 -4.38 117.00 116.71 1pls n LEU 50 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1pls n LEU 50 Cb 0.45 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1pls n LEU 50 CO 0.54 0.00 0.00 0.29 -1.51 0.00 0.00 177.39 176.71 1pls n LYS 51 N -0.99 0.00 -2.74 3.23 4.01 -1.26 -4.43 118.16 115.97 1pls n LYS 51 Ca 0.18 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.90 1pls n LYS 51 Cb 0.08 -0.40 0.06 0.00 -0.51 0.00 0.00 35.03 34.26 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pls n GLY 52 N 0.00 -0.02 0.00 0.72 0.00 -1.26 -4.03 105.19 100.60 1pls n GLY 52 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pls n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 53 N 1.49 -0.26 -3.69 1.61 7.64 -1.26 -3.53 113.62 115.62 1pls n SER 53 Ca 0.08 -0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.77 1pls n SER 53 Cb 0.64 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.67 1pls n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pls s THR 54 N -0.13 -0.11 -0.22 0.44 2.01 0.33 -4.59 115.64 113.37 1pls s THR 54 Ca 0.00 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 1pls s THR 54 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 1pls s THR 54 CO 0.00 0.16 0.64 -0.22 -0.69 0.00 0.00 174.62 174.51 1pls s LEU 55 N 1.93 4.11 -0.25 4.42 0.20 -1.26 0.27 118.68 128.10 1pls s LEU 55 Ca 0.02 0.80 -0.02 0.00 0.69 0.00 0.00 54.13 55.63 1pls s LEU 55 Cb -0.12 -2.90 0.03 0.00 -0.43 0.00 0.00 46.19 42.77 1pls s LEU 55 CO -0.03 -0.32 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.76 1pls s THR 56 N 2.16 2.87 -0.11 3.68 2.01 0.08 -4.98 115.64 121.35 1pls s THR 56 Ca 0.28 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1pls s THR 56 Cb -0.16 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 69.92 1pls s THR 56 CO 0.10 0.15 0.22 -0.94 -0.69 0.00 0.00 174.62 173.46 1pls s SER 57 N 1.31 0.41 1.09 3.53 1.04 -1.26 -2.17 113.70 117.65 1pls s SER 57 Ca -0.01 0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 1pls s SER 57 Cb -0.17 0.51 0.24 0.00 0.10 0.00 0.00 66.02 66.69 1pls s SER 57 CO -0.04 -0.23 1.14 -2.16 0.98 0.00 0.00 173.24 172.93 1pls s PRO 58 N 2.22 -0.36 0.00 4.02 0.04 -1.26 -5.13 135.00 134.53 1pls s PRO 58 Ca 0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1pls s PRO 58 Cb -0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1pls s PRO 58 CO -0.07 -3.16 0.00 0.00 0.04 0.00 0.00 177.00 173.81 1pls n GLN 60 N 0.00 0.00 0.17 0.00 6.02 -1.26 -4.83 117.38 117.48 1pls n GLN 60 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1pls n GLN 60 Cb 0.00 0.00 0.58 0.00 1.02 0.00 0.00 30.24 31.84 1pls n GLN 60 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1pls h ASP 61 N 0.00 0.00 0.37 1.08 3.32 -2.00 0.21 116.42 119.40 1pls h ASP 61 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1pls h ASP 61 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1pls h ASP 61 CO 0.00 0.00 -1.86 0.33 -1.72 0.00 0.00 179.24 175.99 1pls n PHE 62 N -2.26 0.68 0.63 4.55 -0.00 -1.26 -4.02 117.46 115.79 1pls n PHE 62 Ca -0.01 0.24 0.12 0.00 -0.00 0.00 0.00 57.45 57.80 1pls n PHE 62 Cb 0.10 -1.10 0.27 0.00 -0.00 0.00 0.00 39.48 38.75 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pls n GLY 63 N 1.57 -1.51 2.83 7.13 0.00 0.55 -4.40 105.19 111.37 1pls n GLY 63 Ca -0.20 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1pls n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pls n LYS 64 N -2.10 3.22 0.00 1.61 4.81 -0.10 -4.52 118.16 121.08 1pls n LYS 64 Ca 0.04 -3.06 0.00 0.00 -0.87 0.00 0.00 58.31 54.42 1pls n LYS 64 Cb 0.43 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 32.35 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pls n ARG 65 N 5.13 0.00 -0.27 1.64 1.74 -1.26 -5.01 116.66 118.64 1pls n ARG 65 Ca 0.46 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.58 1pls n ARG 65 Cb 0.38 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.81 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pls n MET 66 N 0.00 -0.53 -2.88 5.56 2.81 -1.26 -4.19 117.12 116.62 1pls n MET 66 Ca 0.00 0.35 -0.44 0.00 -1.81 0.00 0.00 57.70 55.80 1pls n MET 66 Cb 0.00 -0.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.85 1pls n MET 66 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1pls s PHE 67 N -0.51 3.27 -0.03 2.03 0.08 -1.26 -4.96 117.98 116.60 1pls s PHE 67 Ca 0.00 -1.82 0.04 0.00 0.12 0.00 0.00 56.93 55.28 1pls s PHE 67 Cb 0.00 -4.37 -0.00 0.00 -0.57 0.00 0.00 43.02 38.08 1pls s PHE 67 CO 0.00 -1.49 -0.16 0.54 -0.10 0.00 0.00 175.22 174.01 1pls s VAL 68 N 2.32 1.32 0.47 -0.44 0.11 -1.26 -2.12 120.40 120.81 1pls s VAL 68 Ca 0.41 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1pls s VAL 68 Cb -0.03 -1.13 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1pls s VAL 68 CO -0.02 0.38 0.06 0.72 -3.33 0.00 0.00 175.10 172.91 1pls s PHE 69 N -0.02 1.82 -0.22 1.54 -0.71 -0.70 -4.55 117.98 115.13 1pls s PHE 69 Ca -0.02 -1.11 -0.04 0.00 -1.04 0.00 0.00 56.93 54.72 1pls s PHE 69 Cb -0.10 -1.41 0.09 0.00 -1.21 0.00 0.00 43.02 40.39 1pls s PHE 69 CO 0.01 -0.01 0.18 0.21 -1.34 0.00 0.00 175.22 174.28 1pls s LYS 70 N -3.80 0.17 0.61 1.99 2.20 -0.92 -2.45 119.74 117.55 1pls s LYS 70 Ca 0.12 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1pls s LYS 70 Cb 0.02 -1.29 0.05 0.00 -1.51 0.00 0.00 37.83 35.09 1pls s LYS 70 CO 0.08 -0.76 0.87 0.42 -0.36 0.00 0.00 175.35 175.59 1pls s ILE 71 N 2.25 2.51 -0.36 5.43 1.01 -0.76 -0.74 121.20 130.53 1pls s ILE 71 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1pls s ILE 71 Cb -0.16 -2.98 0.15 0.00 0.01 0.00 0.00 42.46 39.48 1pls s ILE 71 CO -0.18 0.00 0.33 -0.89 0.00 0.00 0.00 174.94 174.20 1pls s THR 72 N -2.95 -0.21 0.29 2.92 2.01 0.14 -0.82 115.64 117.02 1pls s THR 72 Ca 0.59 -1.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1pls s THR 72 Cb -0.10 -0.80 -0.16 0.00 0.01 0.00 0.00 72.50 71.44 1pls s THR 72 CO 0.41 -0.68 0.35 0.35 -0.69 0.00 0.00 174.62 174.36 1pls n THR 73 N 4.26 1.44 -0.62 -0.82 -2.24 -1.07 -0.51 114.28 114.71 1pls n THR 73 Ca 0.10 -0.50 0.49 0.00 -2.27 0.00 0.00 64.05 61.87 1pls n THR 73 Cb 0.43 -0.04 0.77 0.00 -2.10 0.00 0.00 70.33 69.39 1pls n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pls h THR 74 N 0.74 0.03 0.00 4.28 1.03 -1.81 -1.24 112.91 115.93 1pls h THR 74 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1pls h THR 74 Cb 1.44 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1pls h THR 74 CO 0.53 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 177.21 1pls n LYS 75 N -3.84 0.00 0.00 0.00 4.81 -1.26 -4.97 118.16 112.90 1pls n LYS 75 Ca 0.40 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1pls n LYS 75 Cb 1.91 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 35.83 1pls n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pls n GLN 76 N -1.88 0.00 -3.56 1.64 10.64 -0.47 -5.11 117.38 118.64 1pls n GLN 76 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 1pls n GLN 76 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1pls s GLN 77 N 0.00 2.47 0.69 2.61 0.74 -1.25 -4.89 119.66 120.02 1pls s GLN 77 Ca 0.00 -1.78 -0.16 0.00 0.05 0.00 0.00 55.36 53.47 1pls s GLN 77 Cb 0.00 -3.92 0.02 0.00 1.10 0.00 0.00 33.01 30.21 1pls s GLN 77 CO 0.00 -1.19 1.21 0.16 -0.55 0.00 0.00 175.29 174.91 1pls s ASP 78 N 2.63 4.50 -0.32 6.67 1.47 -1.26 -2.60 116.67 127.78 1pls s ASP 78 Ca 0.06 2.36 -0.00 0.00 1.18 0.00 0.00 52.55 56.15 1pls s ASP 78 Cb -0.26 -2.59 0.13 0.00 -0.34 0.00 0.00 42.92 39.86 1pls s ASP 78 CO -0.01 -2.05 0.26 -1.00 0.68 0.00 0.00 175.17 173.05 1pls s HIS 79 N -1.87 -0.06 -0.30 2.11 3.76 -0.00 -4.90 115.29 114.01 1pls s HIS 79 Ca 0.75 -0.70 -0.19 0.00 -0.15 0.00 0.00 55.06 54.77 1pls s HIS 79 Cb -0.30 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 1pls s HIS 79 CO 0.42 -0.90 0.59 -0.06 -0.85 0.00 0.00 174.74 173.94 1pls s PHE 80 N 1.90 3.22 0.13 1.40 0.08 -1.26 -1.82 117.98 121.64 1pls s PHE 80 Ca 0.12 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.73 1pls s PHE 80 Cb -0.16 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 1pls s PHE 80 CO -0.22 -0.44 -0.02 -0.59 -0.10 0.00 0.00 175.22 173.84 1pls s PHE 81 N 2.52 1.03 -0.06 0.36 -0.71 -1.03 -1.38 117.98 118.71 1pls s PHE 81 Ca 0.24 -1.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 1pls s PHE 81 Cb -0.15 -0.59 0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1pls s PHE 81 CO 0.11 -0.22 -0.14 -1.14 -1.34 0.00 0.00 175.22 172.50 1pls s GLN 82 N -3.89 1.79 0.00 1.99 0.74 -0.46 -1.73 119.66 118.10 1pls s GLN 82 Ca 0.18 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.12 1pls s GLN 82 Cb 0.06 -1.48 0.00 0.00 1.10 0.00 0.00 33.01 32.69 1pls s GLN 82 CO -0.00 0.08 0.00 0.00 -0.55 0.00 0.00 175.29 174.82 1pls n ALA 83 N 3.66 0.00 -1.00 1.58 0.00 -0.90 -2.41 120.51 121.44 1pls n ALA 83 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1pls n ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1pls n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pls n ALA 84 N -3.00 0.00 -3.49 0.00 0.00 -1.26 -4.82 120.51 107.94 1pls n ALA 84 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1pls n ALA 84 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1pls n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pls n PHE 85 N -0.03 -1.37 0.31 0.00 -1.74 -1.26 -4.83 117.46 108.54 1pls n PHE 85 Ca 0.00 -2.29 -0.18 0.00 -0.56 0.00 0.00 57.45 54.41 1pls n PHE 85 Cb 0.00 -0.51 -0.10 0.00 1.52 0.00 0.00 39.48 40.39 1pls n PHE 85 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1pls h LEU 86 N 0.00 -1.32 -0.08 5.98 6.46 -1.97 0.64 115.31 125.02 1pls h LEU 86 Ca -0.32 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1pls h LEU 86 Cb 1.30 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 41.63 1pls h LEU 86 CO 0.48 -0.66 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.40 1pls h GLU 87 N -1.01 -0.14 -0.49 1.25 4.22 -2.00 0.18 114.58 116.59 1pls h GLU 87 Ca -0.06 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.53 1pls h GLU 87 Cb 0.87 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1pls h GLU 87 CO -0.04 -0.09 0.49 1.49 -2.18 0.00 0.00 179.01 178.67 1pls h GLU 88 N -0.15 0.00 0.38 1.92 4.81 -1.95 -1.51 114.58 118.08 1pls h GLU 88 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1pls h GLU 88 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1pls h GLU 88 CO -0.15 0.00 -0.18 -0.09 -0.73 0.00 0.00 179.01 177.86 1pls h ARG 89 N 0.00 -0.49 -0.33 1.92 1.12 0.17 -0.84 114.38 115.94 1pls h ARG 89 Ca 0.23 0.03 0.10 0.00 -1.11 0.00 0.00 59.98 59.23 1pls h ARG 89 Cb 1.20 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1pls h ARG 89 CO -0.00 -0.32 0.28 0.38 -3.11 0.00 0.00 179.97 177.20 1pls h ASP 90 N -0.78 0.00 0.12 -3.80 3.04 -0.79 0.18 116.42 114.40 1pls h ASP 90 Ca -0.05 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.57 1pls h ASP 90 Cb 0.39 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1pls h ASP 90 CO 0.08 0.00 -0.64 0.00 -2.04 0.00 0.00 179.24 176.65 1pls h ALA 91 N 1.74 0.64 -0.30 4.15 0.00 -1.21 -1.36 119.26 122.92 1pls h ALA 91 Ca 0.16 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1pls h ALA 91 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pls h ALA 91 CO -0.00 0.72 -0.37 -1.49 0.00 0.00 0.00 179.25 178.11 1pls h TRP 92 N 0.36 0.96 0.03 0.00 4.06 0.84 -2.58 115.95 119.62 1pls h TRP 92 Ca -0.01 -0.30 -0.23 0.00 2.06 0.00 0.00 58.89 60.41 1pls h TRP 92 Cb 1.20 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1pls h TRP 92 CO 0.05 1.09 -0.99 -0.24 -3.56 0.00 0.00 178.44 174.79 1pls h VAL 93 N 0.55 1.45 0.00 1.49 3.04 -1.34 -2.54 116.25 118.91 1pls h VAL 93 Ca 0.04 -2.64 -0.04 0.00 -1.01 0.00 0.00 66.70 63.04 1pls h VAL 93 Cb 0.96 2.55 -0.01 0.00 -2.01 0.00 0.00 31.29 32.78 1pls h VAL 93 CO 0.09 0.78 -0.21 0.08 -1.01 0.00 0.00 177.57 177.30 1pls h ARG 94 N 0.16 0.00 0.21 4.17 0.11 -1.28 -1.62 114.38 116.14 1pls h ARG 94 Ca -0.08 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.66 1pls h ARG 94 Cb 1.64 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.75 1pls h ARG 94 CO 0.16 0.21 -1.58 -0.44 0.10 0.00 0.00 179.97 178.42 1pls h ASP 95 N 0.00 0.71 -0.18 0.08 3.32 -1.42 -0.75 116.42 118.19 1pls h ASP 95 Ca -0.00 -0.87 -0.15 0.00 0.02 0.00 0.00 57.03 56.03 1pls h ASP 95 Cb 0.74 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1pls h ASP 95 CO 0.03 1.71 -0.41 0.40 -1.72 0.00 0.00 179.24 179.24 1pls h ILE 96 N 0.12 1.29 0.00 0.35 2.04 -1.35 -2.48 117.51 117.48 1pls h ILE 96 Ca -0.28 -1.59 -0.15 0.00 1.00 0.00 0.00 64.86 63.83 1pls h ILE 96 Cb 2.13 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 1pls h ILE 96 CO 0.23 0.51 -0.73 -1.13 0.00 0.00 0.00 178.15 177.03 1pls h ASN 97 N 0.59 0.00 -0.35 1.72 -1.24 -1.40 -2.60 115.58 112.30 1pls h ASN 97 Ca 0.04 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1pls h ASN 97 Cb 0.96 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 1pls h ASN 97 CO 0.09 0.70 0.06 0.50 -1.29 0.00 0.00 177.43 177.48 1pls h LYS 98 N 0.00 0.57 -0.16 6.67 1.63 -0.95 0.21 116.57 124.54 1pls h LYS 98 Ca -0.01 -0.15 -0.16 0.00 -0.85 0.00 0.00 60.65 59.47 1pls h LYS 98 Cb 1.54 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.10 1pls h LYS 98 CO 0.09 0.65 -0.58 0.00 -3.45 0.00 0.00 179.45 176.15 1pls h ALA 99 N 0.90 0.70 0.00 5.00 0.00 -1.50 -1.79 119.26 122.57 1pls h ALA 99 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pls h ALA 99 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pls h ALA 99 CO 0.01 0.70 0.00 0.82 0.00 0.00 0.00 179.25 180.78 1pls h ILE 100 N 0.38 0.00 0.00 0.00 2.04 -1.22 -1.21 117.51 117.50 1pls h ILE 100 Ca -0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1pls h ILE 100 Cb 1.13 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1pls h ILE 100 CO 0.11 0.00 -1.00 1.17 0.00 0.00 0.00 178.15 178.42 1pls n LYS 101 N -3.01 0.39 -0.06 2.37 3.00 0.72 -3.79 118.16 117.78 1pls n LYS 101 Ca 0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.28 1pls n LYS 101 Cb 0.35 -1.66 -0.15 0.00 0.00 0.00 0.00 35.03 33.58 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pls h ILE 103 N 0.00 0.88 -0.20 0.00 1.08 -1.37 -2.73 117.51 115.16 1pls h ILE 103 Ca -0.40 -1.45 0.06 0.00 -0.39 0.00 0.00 64.86 62.68 1pls h ILE 103 Cb 2.07 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 37.70 1pls h ILE 103 CO 0.05 0.35 0.45 -0.33 -0.69 0.00 0.00 178.15 177.98 1pls h GLU 104 N 0.00 0.00 0.00 2.37 5.08 -1.70 -3.38 114.58 116.95 1pls h GLU 104 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pls h GLU 104 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1pls h GLU 104 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1pls n GLY 105 N -1.36 1.46 3.63 -3.84 0.00 -1.04 -5.02 105.19 99.02 1pls n GLY 105 Ca 0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1pls n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pls n LEU 106 N 0.00 -3.06 -4.50 0.99 -0.00 -1.17 -4.95 117.00 104.30 1pls n LEU 106 Ca 0.00 -0.82 -0.33 0.00 -0.00 0.00 0.00 56.01 54.85 1pls n LEU 106 Cb 0.00 -2.21 -0.12 0.00 -0.00 0.00 0.00 43.42 41.08 1pls n LEU 106 CO 0.00 0.13 -0.40 -1.61 -0.00 0.00 0.00 177.39 175.51 1pls s GLU 107 N -5.08 3.10 0.00 1.96 2.02 -1.26 -4.98 118.70 114.46 1pls s GLU 107 Ca 0.19 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1pls s GLU 107 Cb -0.08 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1pls s GLU 107 CO 0.86 0.45 0.00 0.72 0.02 0.00 0.00 175.26 177.31 1pls n HIS 108 N 2.86 0.00 -0.50 1.61 8.25 -1.26 -5.05 115.22 121.12 1pls n HIS 108 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.98 1pls n HIS 108 Cb 0.53 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.91 1pls n HIS 108 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1pls s HIS 109 N -1.96 0.01 -1.42 4.41 4.02 -1.26 -4.83 115.29 114.26 1pls s HIS 109 Ca 0.00 0.71 -0.09 0.00 1.02 0.00 0.00 55.06 56.70 1pls s HIS 109 Cb 0.00 -3.01 0.06 0.00 -1.02 0.00 0.00 32.58 28.61 1pls s HIS 109 CO 0.00 -4.59 2.40 1.58 1.02 0.00 0.00 174.74 175.15 1pls n HIS 110 N -5.36 2.78 -3.39 1.40 -0.00 -1.26 -4.73 115.22 104.67 1pls n HIS 110 Ca 0.10 -2.91 -0.23 0.00 -0.00 0.00 0.00 57.72 54.67 1pls n HIS 110 Cb 0.59 -2.16 -0.10 0.00 -0.00 0.00 0.00 29.99 28.32 1pls n HIS 110 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1pls s HIS 111 N 0.84 0.31 0.00 1.57 5.65 -1.26 -4.94 115.29 117.45 1pls s HIS 111 Ca 0.54 -1.40 0.00 0.00 0.25 0.00 0.00 55.06 54.45 1pls s HIS 111 Cb 0.16 -0.67 0.00 0.00 -1.18 0.00 0.00 32.58 30.88 1pls s HIS 111 CO -0.06 -0.90 0.00 0.72 -0.65 0.00 0.00 174.74 173.85 1pls n HIS 112 N 3.88 0.00 -1.94 3.88 -0.00 -1.26 -4.98 115.22 114.80 1pls n HIS 112 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1pls n HIS 112 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 1pls n HIS 112 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95