#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 3.50 0.02 0.03 0.41 -1.26 -5.08 118.70 116.33 1pls s GLU 2 Ca 0.00 -0.26 -0.00 0.00 -0.41 0.00 0.00 54.97 54.30 1pls s GLU 2 Cb 0.00 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 1pls s GLU 2 CO 0.00 0.13 0.01 -2.30 -0.49 0.00 0.00 175.26 172.61 1pls n PRO 3 N -1.72 -0.25 -3.67 0.39 -0.02 -1.26 -4.91 135.00 123.57 1pls n PRO 3 Ca -0.04 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.12 1pls n PRO 3 Cb 0.56 -0.02 -0.09 0.00 -0.02 0.00 0.00 33.50 33.93 1pls n PRO 3 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1pls n LYS 4 N -1.12 2.38 -1.55 -0.52 2.85 -1.26 -5.06 118.16 113.88 1pls n LYS 4 Ca 0.00 -4.54 -0.54 0.00 -1.05 0.00 0.00 58.31 52.18 1pls n LYS 4 Cb 0.01 -2.33 -0.06 0.00 -0.65 0.00 0.00 35.03 31.99 1pls n LYS 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pls n ARG 5 N 1.76 0.66 -0.27 -1.58 3.00 -1.26 -4.78 116.66 114.18 1pls n ARG 5 Ca 0.23 0.24 0.08 0.00 -0.01 0.00 0.00 57.85 58.39 1pls n ARG 5 Cb 0.37 -1.78 0.21 0.00 0.00 0.00 0.00 32.46 31.25 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 3.03 0.35 -3.99 0.55 1.08 -1.64 -3.41 117.51 113.48 1pls h ILE 6 Ca -0.48 -0.05 -0.21 0.00 -0.39 0.00 0.00 64.86 63.73 1pls h ILE 6 Cb 1.38 0.17 -0.20 0.00 -3.07 0.00 0.00 36.82 35.11 1pls h ILE 6 CO 0.71 0.03 -0.71 -0.60 -0.69 0.00 0.00 178.15 176.89 1pls s ARG 7 N -6.05 0.50 -0.29 2.37 6.06 -0.71 -4.98 118.95 115.85 1pls s ARG 7 Ca -0.13 -0.84 -0.13 0.00 -2.50 0.00 0.00 55.73 52.14 1pls s ARG 7 Cb 0.23 -0.08 0.12 0.00 0.06 0.00 0.00 34.95 35.28 1pls s ARG 7 CO 0.76 -0.01 0.72 -1.83 -2.50 0.00 0.00 175.30 172.44 1pls s GLU 8 N -2.11 0.58 0.00 5.12 1.03 -1.26 -0.66 118.70 121.41 1pls s GLU 8 Ca -0.07 1.26 0.00 0.00 0.03 0.00 0.00 54.97 56.18 1pls s GLU 8 Cb -0.06 0.53 0.00 0.00 -0.80 0.00 0.00 34.13 33.81 1pls s GLU 8 CO -0.02 -0.17 0.00 0.41 -1.33 0.00 0.00 175.26 174.15 1pls n GLY 9 N 4.90 3.74 2.60 -3.83 0.00 -0.63 -4.99 105.19 106.99 1pls n GLY 9 Ca -0.15 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.36 0.19 0.36 1.61 1.13 -1.26 -1.97 117.35 117.05 1pls s TYR 10 Ca 0.00 -1.05 0.08 0.00 -1.41 0.00 0.00 57.07 54.70 1pls s TYR 10 Cb 0.00 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 40.10 1pls s TYR 10 CO 0.00 -0.88 0.07 -0.51 -2.51 0.00 0.00 175.55 171.71 1pls s LEU 11 N 1.55 3.04 -0.02 -3.49 2.01 -0.20 -4.61 118.68 116.96 1pls s LEU 11 Ca 0.15 -1.02 -0.18 0.00 0.01 0.00 0.00 54.13 53.08 1pls s LEU 11 Cb -0.18 -1.38 -0.05 0.00 0.01 0.00 0.00 46.19 44.59 1pls s LEU 11 CO -0.12 -0.34 0.51 0.54 1.01 0.00 0.00 176.35 177.95 1pls s VAL 12 N -2.54 4.99 -0.07 -1.59 0.11 -1.01 -0.15 120.40 120.14 1pls s VAL 12 Ca 0.37 1.06 0.03 0.00 -2.93 0.00 0.00 61.98 60.51 1pls s VAL 12 Cb 0.01 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 31.03 1pls s VAL 12 CO 0.20 0.45 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.74 1pls s LYS 13 N -0.33 1.91 -0.05 1.54 1.02 -1.04 -1.80 119.74 120.99 1pls s LYS 13 Ca 0.27 -0.52 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 1pls s LYS 13 Cb -0.17 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 1pls s LYS 13 CO 0.15 0.09 0.32 0.21 -0.92 0.00 0.00 175.35 175.20 1pls s LYS 14 N 0.49 3.83 0.00 1.68 2.20 -0.98 -4.26 119.74 122.70 1pls s LYS 14 Ca -0.13 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1pls s LYS 14 Cb -0.15 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1pls s LYS 14 CO 0.04 0.65 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 1pls n GLY 15 N 2.08 -0.02 0.00 5.54 0.00 -1.26 -3.59 105.19 107.93 1pls n GLY 15 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pls n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pls n SER 16 N 0.00 0.00 -4.47 1.61 3.41 -1.26 -4.78 113.62 108.12 1pls n SER 16 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1pls n SER 16 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1pls n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pls s VAL 17 N 0.00 5.12 0.33 -3.33 0.11 -1.26 -4.96 120.40 116.41 1pls s VAL 17 Ca 0.00 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1pls s VAL 17 Cb 0.00 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 1pls s VAL 17 CO 0.00 -0.43 0.00 0.49 -3.33 0.00 0.00 175.10 171.83 1pls n PHE 18 N 5.52 -3.61 -2.67 1.54 3.01 -1.26 -4.11 117.46 115.87 1pls n PHE 18 Ca -0.08 1.76 -0.42 0.00 1.01 0.00 0.00 57.45 59.72 1pls n PHE 18 Cb 0.47 -3.26 -0.03 0.00 -0.01 0.00 0.00 39.48 36.66 1pls n PHE 18 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pls s ASN 19 N -7.00 6.58 0.00 4.37 4.22 -1.26 -4.33 114.94 117.53 1pls s ASN 19 Ca 0.00 -1.74 0.00 0.00 -2.14 0.00 0.00 52.86 48.98 1pls s ASN 19 Cb 0.00 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 40.01 1pls s ASN 19 CO 0.00 -1.34 0.00 0.35 -2.04 0.00 0.00 177.10 174.07 1pls n THR 20 N 6.42 0.00 -3.60 0.54 -2.24 -1.26 -5.03 114.28 109.11 1pls n THR 20 Ca 0.32 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.96 1pls n THR 20 Cb 0.50 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.23 -0.39 -0.11 4.78 0.52 -1.26 -4.37 118.94 116.87 1pls s TRP 21 Ca 0.00 0.74 -0.09 0.00 0.02 0.00 0.00 56.10 56.77 1pls s TRP 21 Cb 0.00 -0.14 0.03 0.00 -1.15 0.00 0.00 33.47 32.22 1pls s TRP 21 CO 0.00 -0.43 0.30 0.15 0.02 0.00 0.00 176.95 176.98 1pls s LYS 22 N 2.39 0.32 0.96 4.98 1.02 -1.26 -5.00 119.74 123.15 1pls s LYS 22 Ca 0.04 0.46 -0.12 0.00 0.02 0.00 0.00 55.97 56.37 1pls s LYS 22 Cb -0.13 0.10 0.11 0.00 -0.52 0.00 0.00 37.83 37.39 1pls s LYS 22 CO -0.10 -0.07 0.76 -2.30 -0.92 0.00 0.00 175.35 172.72 1pls n PRO 23 N 3.27 -0.59 -3.65 -1.68 -0.02 -1.26 -2.49 135.00 128.57 1pls n PRO 23 Ca -0.16 -0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.18 1pls n PRO 23 Cb 0.57 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 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 -4.13 0.74 0.13 -0.52 0.23 0.79 -4.79 119.30 111.75 1pls s MET 24 Ca 0.62 -0.38 -0.18 0.00 -1.03 0.00 0.00 55.69 54.72 1pls s MET 24 Cb -0.22 0.27 -0.07 0.00 -1.53 0.00 0.00 34.83 33.28 1pls s MET 24 CO 0.63 -0.33 0.60 -0.46 -2.03 0.00 0.00 175.02 173.42 1pls s TRP 25 N -2.83 3.71 -0.15 3.16 -0.11 0.34 -1.03 118.94 122.02 1pls s TRP 25 Ca 0.12 1.23 -0.09 0.00 1.22 0.00 0.00 56.10 58.57 1pls s TRP 25 Cb 0.01 -2.48 0.05 0.00 -1.50 0.00 0.00 33.47 29.55 1pls s TRP 25 CO -0.02 0.48 0.37 0.54 -4.62 0.00 0.00 176.95 173.70 1pls s VAL 26 N -1.32 -0.02 -0.28 5.86 0.11 -0.83 0.38 120.40 124.30 1pls s VAL 26 Ca 0.35 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.49 1pls s VAL 26 Cb -0.17 -0.55 0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1pls s VAL 26 CO 0.20 0.03 -0.00 0.68 -3.33 0.00 0.00 175.10 172.68 1pls s VAL 27 N 1.09 1.62 -0.13 2.04 -7.23 -0.89 -1.61 120.40 115.30 1pls s VAL 27 Ca -0.07 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 1pls s VAL 27 Cb -0.07 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1pls s VAL 27 CO -0.09 -0.32 1.03 -1.48 -0.31 0.00 0.00 175.10 173.93 1pls s LEU 28 N 1.30 4.22 0.36 1.32 0.05 0.17 -2.30 118.68 123.80 1pls s LEU 28 Ca 0.01 1.52 0.08 0.00 0.05 0.00 0.00 54.13 55.79 1pls s LEU 28 Cb -0.19 -3.55 -0.04 0.00 -2.05 0.00 0.00 46.19 40.36 1pls s LEU 28 CO -0.10 -0.51 0.15 -0.76 -0.55 0.00 0.00 176.35 174.58 1pls s LEU 29 N 2.31 3.22 0.16 1.48 1.02 -0.28 -1.62 118.68 124.96 1pls s LEU 29 Ca 0.48 -0.85 0.22 0.00 0.02 0.00 0.00 54.13 53.99 1pls s LEU 29 Cb -0.18 -1.66 0.88 0.00 0.02 0.00 0.00 46.19 45.24 1pls s LEU 29 CO 0.16 -0.37 1.67 -1.84 0.02 0.00 0.00 176.35 175.98 1pls n GLU 30 N -1.18 0.13 0.00 1.70 0.28 -1.26 -2.28 120.64 118.03 1pls n GLU 30 Ca -0.02 0.31 0.08 0.00 -0.16 0.00 0.00 57.16 57.37 1pls n GLU 30 Cb 0.62 -1.73 0.03 0.00 1.43 0.00 0.00 31.44 31.79 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 -1.97 1.94 0.00 -1.84 8.00 -1.26 -4.54 116.55 116.87 1pls n ASP 31 Ca 0.03 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1pls n ASP 31 Cb 0.25 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 1.05 3.91 3.45 0.44 0.00 -0.97 -4.62 105.19 108.45 1pls n GLY 32 Ca 0.08 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 5.16 -0.24 -0.61 1.09 -0.81 -1.13 121.20 122.65 1pls s ILE 33 Ca 0.00 -0.65 -0.07 0.00 -1.10 0.00 0.00 60.65 58.83 1pls s ILE 33 Cb 0.00 -4.06 -0.02 0.00 -1.06 0.00 0.00 42.46 37.32 1pls s ILE 33 CO 0.00 -0.47 0.05 -1.83 -0.10 0.00 0.00 174.94 172.59 1pls s GLU 34 N 1.91 3.60 0.05 2.79 -1.05 -0.97 -0.53 118.70 124.50 1pls s GLU 34 Ca 0.08 -0.51 0.09 0.00 -0.15 0.00 0.00 54.97 54.48 1pls s GLU 34 Cb -0.20 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.20 1pls s GLU 34 CO 0.10 -0.19 -0.25 -0.59 0.95 0.00 0.00 175.26 175.28 1pls s PHE 35 N 1.59 2.18 0.00 4.83 -0.12 -0.98 -2.09 117.98 123.39 1pls s PHE 35 Ca 0.06 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1pls s PHE 35 Cb -0.15 -1.30 0.00 0.00 -0.63 0.00 0.00 43.02 40.94 1pls s PHE 35 CO 0.02 0.12 0.00 0.66 -0.05 0.00 0.00 175.22 175.98 1pls n TYR 36 N 1.77 0.00 -0.13 3.49 4.01 0.16 -3.05 117.16 123.42 1pls n TYR 36 Ca -0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.32 1pls n TYR 36 Cb 0.52 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.47 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1pls n LYS 37 N 0.00 0.57 -2.88 -0.72 4.81 -1.26 -1.35 118.16 117.33 1pls n LYS 37 Ca 0.00 0.28 -0.17 0.00 -0.87 0.00 0.00 58.31 57.55 1pls n LYS 37 Cb 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.57 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 -4.31 0.80 -0.33 1.64 5.02 -1.26 -0.50 118.16 119.21 1pls n LYS 38 Ca -0.45 -2.46 0.21 0.00 -2.02 0.00 0.00 58.31 53.58 1pls n LYS 38 Cb 0.80 0.06 0.43 0.00 -0.02 0.00 0.00 35.03 36.29 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 0.39 -0.82 1.97 3.64 -1.94 -3.27 116.57 116.54 1pls h LYS 39 Ca -0.23 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 58.80 1pls h LYS 39 Cb 0.94 -0.09 -0.22 0.00 -0.41 0.00 0.00 32.23 32.45 1pls h LYS 39 CO 0.35 0.26 -0.69 0.43 -2.27 0.00 0.00 179.45 177.53 1pls n SER 40 N -5.01 -2.02 0.32 4.20 7.64 -1.26 -4.93 113.62 112.56 1pls n SER 40 Ca 0.29 -3.03 0.12 0.00 1.01 0.00 0.00 58.87 57.26 1pls n SER 40 Cb 0.87 1.02 0.63 0.00 -1.01 0.00 0.00 64.21 65.72 1pls n SER 40 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1pls h ASP 41 N 4.25 0.00 0.00 6.43 3.58 -1.93 -3.43 116.42 125.32 1pls h ASP 41 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1pls h ASP 41 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1pls h ASP 41 CO 0.32 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.48 1pls n ASN 42 N -2.83 0.00 -4.15 2.28 5.15 -1.26 -4.92 115.26 109.53 1pls n ASN 42 Ca -0.01 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.60 1pls n ASN 42 Cb 0.54 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.68 1pls n ASN 42 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pls s SER 43 N 0.25 5.32 0.36 1.20 1.04 -1.26 -5.07 113.70 115.54 1pls s SER 43 Ca 0.00 -1.88 -0.25 0.00 0.48 0.00 0.00 55.95 54.30 1pls s SER 43 Cb 0.00 -1.86 -0.13 0.00 0.10 0.00 0.00 66.02 64.14 1pls s SER 43 CO 0.00 -0.53 0.88 -2.65 0.98 0.00 0.00 173.24 171.92 1pls n PRO 44 N 4.67 1.11 -0.04 4.02 -0.02 -1.26 -4.82 135.00 138.66 1pls n PRO 44 Ca -0.05 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1pls n PRO 44 Cb 0.42 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 1pls n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pls n LYS 45 N 0.49 0.67 0.00 -0.52 3.00 -1.17 -5.01 118.16 115.61 1pls n LYS 45 Ca 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1pls n LYS 45 Cb 0.36 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1pls n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pls n GLY 46 N 1.51 1.66 1.77 3.14 0.00 -1.21 -5.07 105.19 106.99 1pls n GLY 46 Ca -0.18 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1pls n GLY 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pls n MET 47 N -0.23 0.95 -3.75 1.61 2.81 -1.26 -2.32 117.12 114.92 1pls n MET 47 Ca 0.00 -1.82 -0.16 0.00 -1.81 0.00 0.00 57.70 53.91 1pls n MET 47 Cb 0.00 0.83 -0.16 0.00 -0.71 0.00 0.00 33.22 33.18 1pls n MET 47 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1pls s ILE 48 N -2.21 -0.08 -1.05 2.02 1.01 0.31 -4.97 121.20 116.24 1pls s ILE 48 Ca 0.07 0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 1pls s ILE 48 Cb 0.00 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.28 1pls s ILE 48 CO 0.05 0.11 1.95 -2.16 0.00 0.00 0.00 174.94 174.89 1pls s PRO 49 N 1.33 2.48 0.28 2.79 0.04 -1.26 -1.93 135.00 138.73 1pls s PRO 49 Ca -0.06 -0.74 0.19 0.00 0.04 0.00 0.00 61.00 60.44 1pls s PRO 49 Cb -0.13 -5.15 1.02 0.00 0.04 0.00 0.00 34.50 30.28 1pls s PRO 49 CO -0.03 -3.75 1.59 1.47 0.04 0.00 0.00 177.00 176.32 1pls n LEU 50 N 14.36 0.50 0.18 -3.56 -0.00 -1.26 -1.77 117.00 125.45 1pls n LEU 50 Ca 0.43 0.72 0.11 0.00 -0.00 0.00 0.00 56.01 57.27 1pls n LEU 50 Cb 0.47 -0.77 0.61 0.00 -0.00 0.00 0.00 43.42 43.73 1pls n LEU 50 CO 0.64 -0.86 0.86 0.07 -0.00 0.00 0.00 177.39 178.10 1pls h LYS 51 N 0.00 0.00 0.00 1.47 2.10 -1.85 -3.24 116.57 115.06 1pls h LYS 51 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1pls h LYS 51 Cb 0.03 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.29 1pls h LYS 51 CO 0.00 0.00 -0.16 0.41 -2.00 0.00 0.00 179.45 177.70 1pls n GLY 52 N -1.27 0.32 3.84 0.07 0.00 -0.73 -4.74 105.19 102.68 1pls n GLY 52 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1pls n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pls s SER 53 N -0.57 4.24 0.21 1.61 0.15 -0.82 -1.74 113.70 116.78 1pls s SER 53 Ca 0.00 0.95 0.08 0.00 0.70 0.00 0.00 55.95 57.68 1pls s SER 53 Cb 0.00 -1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 1pls s SER 53 CO 0.00 -2.09 -0.14 0.42 1.20 0.00 0.00 173.24 172.63 1pls s THR 54 N -3.39 1.72 0.12 6.45 -4.23 -0.35 -4.80 115.64 111.14 1pls s THR 54 Ca 0.62 -2.20 0.10 0.00 -1.18 0.00 0.00 61.69 59.03 1pls s THR 54 Cb -0.13 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1pls s THR 54 CO 0.52 -0.59 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.54 1pls s LEU 55 N -3.32 2.30 -0.02 4.79 1.98 -1.26 -1.05 118.68 122.10 1pls s LEU 55 Ca 0.23 -0.72 0.01 0.00 -2.89 0.00 0.00 54.13 50.76 1pls s LEU 55 Cb -0.00 -1.14 0.01 0.00 0.66 0.00 0.00 46.19 45.71 1pls s LEU 55 CO 0.07 0.16 -0.03 -0.89 -1.89 0.00 0.00 176.35 173.76 1pls s THR 56 N -1.06 0.34 -0.18 3.68 2.01 0.11 -4.91 115.64 115.64 1pls s THR 56 Ca 0.12 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1pls s THR 56 Cb -0.10 -0.35 0.09 0.00 0.01 0.00 0.00 72.50 72.15 1pls s THR 56 CO 0.05 0.14 0.36 -0.55 -0.69 0.00 0.00 174.62 173.94 1pls s SER 57 N 0.44 0.00 0.19 3.53 0.15 -1.26 -1.95 113.70 114.80 1pls s SER 57 Ca -0.05 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1pls s SER 57 Cb -0.08 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1pls s SER 57 CO -0.01 -0.24 0.00 -0.81 1.20 0.00 0.00 173.24 173.38 1pls n PRO 58 N 5.38 0.67 -0.10 5.44 -0.04 -1.26 -5.12 135.00 139.97 1pls n PRO 58 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1pls n PRO 58 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls n GLN 60 N -0.12 0.65 -0.16 0.00 7.27 -1.26 -4.81 117.38 118.95 1pls n GLN 60 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1pls n GLN 60 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 1pls n GLN 60 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1pls n ASP 61 N -0.47 1.62 0.02 1.69 5.75 -1.26 -3.52 116.55 120.38 1pls n ASP 61 Ca 0.00 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.63 1pls n ASP 61 Cb 0.00 -0.35 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1pls h PHE 62 N 1.02 0.00 0.00 2.11 3.04 -2.01 -3.44 116.94 117.66 1pls h PHE 62 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pls h PHE 62 Cb 0.58 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1pls h PHE 62 CO 0.20 0.71 0.00 0.41 -2.02 0.00 0.00 178.31 177.62 1pls n GLY 63 N 1.43 -0.04 2.16 2.40 0.00 -1.23 -4.87 105.19 105.04 1pls n GLY 63 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -2.30 0.00 1.61 4.81 -1.26 -4.67 118.16 116.35 1pls n LYS 64 Ca 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1pls n LYS 64 Cb 0.00 -4.60 0.00 0.00 0.02 0.00 0.00 35.03 30.45 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 -2.23 0.00 0.00 1.64 1.74 -1.26 -5.10 116.66 111.45 1pls n ARG 65 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1pls n ARG 65 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.00 -3.68 5.56 2.81 -1.26 -4.97 117.12 115.57 1pls n MET 66 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1pls n MET 66 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 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 0.23 1.82 -0.12 2.03 0.08 -1.26 -5.01 117.98 115.76 1pls s PHE 67 Ca 0.00 -2.32 -0.00 0.00 0.12 0.00 0.00 56.93 54.73 1pls s PHE 67 Cb 0.00 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1pls s PHE 67 CO 0.00 -0.79 -0.07 0.54 -0.10 0.00 0.00 175.22 174.80 1pls s VAL 68 N 0.46 1.02 0.44 -0.44 0.11 -1.26 -2.17 120.40 118.56 1pls s VAL 68 Ca 0.18 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 1pls s VAL 68 Cb -0.24 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1pls s VAL 68 CO 0.01 0.35 0.61 0.72 -3.33 0.00 0.00 175.10 173.46 1pls s PHE 69 N 1.71 2.90 -0.16 1.54 -0.12 0.17 -3.28 117.98 120.75 1pls s PHE 69 Ca 0.05 -0.22 -0.00 0.00 -0.05 0.00 0.00 56.93 56.70 1pls s PHE 69 Cb -0.13 -2.40 0.03 0.00 -0.63 0.00 0.00 43.02 39.89 1pls s PHE 69 CO -0.08 -0.46 -0.09 0.21 -0.05 0.00 0.00 175.22 174.75 1pls s LYS 70 N -4.44 1.78 0.47 1.99 2.20 -0.82 -2.28 119.74 118.63 1pls s LYS 70 Ca 0.53 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1pls s LYS 70 Cb -0.10 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 1pls s LYS 70 CO 0.34 -0.34 0.66 0.42 -0.36 0.00 0.00 175.35 176.07 1pls s ILE 71 N 1.57 3.28 -0.34 5.43 1.01 -0.95 0.07 121.20 131.28 1pls s ILE 71 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1pls s ILE 71 Cb -0.14 -3.19 0.13 0.00 0.01 0.00 0.00 42.46 39.28 1pls s ILE 71 CO -0.09 -0.11 0.21 -0.89 0.00 0.00 0.00 174.94 174.07 1pls s THR 72 N -2.55 0.03 0.62 2.92 2.01 -0.21 -1.15 115.64 117.31 1pls s THR 72 Ca 0.53 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1pls s THR 72 Cb -0.10 -1.04 -0.13 0.00 0.01 0.00 0.00 72.50 71.25 1pls s THR 72 CO 0.36 -0.88 -0.05 0.35 -0.69 0.00 0.00 174.62 173.71 1pls n THR 73 N 4.33 0.55 -1.49 -0.82 -2.24 -1.18 -1.22 114.28 112.21 1pls n THR 73 Ca 0.08 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 1pls n THR 73 Cb 0.39 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pls n THR 74 N -1.81 0.00 0.00 4.28 5.66 -0.71 -2.48 114.28 119.22 1pls n THR 74 Ca 0.07 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1pls n THR 74 Cb 0.49 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1pls n THR 74 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pls n LYS 75 N 7.32 0.00 0.00 1.09 4.81 -1.26 -4.96 118.16 125.16 1pls n LYS 75 Ca 0.48 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1pls n LYS 75 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pls n GLN 76 N 0.00 0.00 -3.33 1.64 6.02 -1.03 -5.08 117.38 115.59 1pls n GLN 76 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 1pls n GLN 76 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1pls n GLN 76 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pls n GLN 77 N 0.00 3.56 -1.68 -1.09 6.02 -1.25 -4.92 117.38 118.01 1pls n GLN 77 Ca 0.00 -4.47 -0.40 0.00 -0.01 0.00 0.00 57.00 52.11 1pls n GLN 77 Cb 0.00 -2.53 0.02 0.00 1.02 0.00 0.00 30.24 28.75 1pls n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1pls n ASP 78 N 2.51 2.10 -3.98 1.08 5.68 -1.26 -3.13 116.55 119.55 1pls n ASP 78 Ca 0.24 1.04 -0.13 0.00 -0.50 0.00 0.00 54.79 55.45 1pls n ASP 78 Cb 0.38 -1.47 -0.13 0.00 -1.14 0.00 0.00 41.12 38.77 1pls n ASP 78 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1pls s HIS 79 N -1.26 0.41 -0.13 2.11 3.76 -0.30 -4.95 115.29 114.93 1pls s HIS 79 Ca 0.64 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 55.19 1pls s HIS 79 Cb -0.50 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 1pls s HIS 79 CO 0.55 -0.07 0.12 -0.06 -0.85 0.00 0.00 174.74 174.44 1pls s PHE 80 N -0.78 3.50 -0.09 1.40 0.40 -1.24 -2.23 117.98 118.95 1pls s PHE 80 Ca -0.06 0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 56.67 1pls s PHE 80 Cb -0.06 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.54 1pls s PHE 80 CO -0.00 0.60 0.17 0.12 0.70 0.00 0.00 175.22 176.81 1pls s PHE 81 N -0.68 -0.21 -0.11 0.36 2.19 -0.97 -2.32 117.98 116.23 1pls s PHE 81 Ca 0.13 0.63 -0.00 0.00 0.33 0.00 0.00 56.93 58.01 1pls s PHE 81 Cb -0.12 -0.17 0.02 0.00 -1.31 0.00 0.00 43.02 41.45 1pls s PHE 81 CO 0.03 -0.25 -0.08 -1.14 1.83 0.00 0.00 175.22 175.61 1pls s GLN 82 N 1.94 1.55 0.00 10.12 0.74 -0.74 -0.65 119.66 132.62 1pls s GLN 82 Ca -0.01 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1pls s GLN 82 Cb -0.12 -1.60 0.00 0.00 1.10 0.00 0.00 33.01 32.39 1pls s GLN 82 CO -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 175.29 174.42 1pls n ALA 83 N 4.92 0.00 -1.88 1.58 0.00 -0.92 -2.41 120.51 121.81 1pls n ALA 83 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pls n ALA 83 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.15 0.00 0.00 -1.26 -4.78 120.51 109.32 1pls n ALA 84 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1pls n ALA 84 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pls n ALA 84 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pls s PHE 85 N 0.00 2.97 0.66 0.00 -0.71 -1.26 -4.56 117.98 115.09 1pls s PHE 85 Ca 0.00 -0.10 0.28 0.00 -1.04 0.00 0.00 56.93 56.07 1pls s PHE 85 Cb 0.00 -2.42 1.52 0.00 -1.21 0.00 0.00 43.02 40.91 1pls s PHE 85 CO 0.00 -0.49 1.86 1.37 -1.34 0.00 0.00 175.22 176.63 1pls h LEU 86 N 0.44 0.00 -0.07 -1.99 -0.00 -1.96 -0.07 115.31 111.66 1pls h LEU 86 Ca -0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.38 1pls h LEU 86 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1pls h LEU 86 CO 0.52 0.00 -0.22 -0.08 -0.00 0.00 0.00 178.44 178.66 1pls h GLU 87 N 0.00 0.28 -0.02 0.17 4.81 -1.97 0.34 114.58 118.19 1pls h GLU 87 Ca 0.01 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1pls h GLU 87 Cb 0.78 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1pls h GLU 87 CO -0.00 0.82 -0.12 1.49 -0.73 0.00 0.00 179.01 180.47 1pls h GLU 88 N -0.21 0.11 -0.03 1.92 4.81 -1.41 -1.83 114.58 117.93 1pls h GLU 88 Ca -0.01 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1pls h GLU 88 Cb 0.84 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1pls h GLU 88 CO 0.05 0.78 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.79 1pls h ARG 89 N -0.53 0.06 -0.04 1.92 1.12 -1.41 0.53 114.38 116.03 1pls h ARG 89 Ca -0.01 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.65 1pls h ARG 89 Cb 0.81 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1pls h ARG 89 CO 0.02 0.28 -0.73 0.22 -3.11 0.00 0.00 179.97 176.65 1pls h ASP 90 N 0.05 0.71 1.37 -3.80 3.58 -0.93 -1.20 116.42 116.21 1pls h ASP 90 Ca 0.01 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.74 1pls h ASP 90 Cb 0.43 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1pls h ASP 90 CO 0.03 1.33 0.00 0.00 -2.88 0.00 0.00 179.24 177.72 1pls h ALA 91 N 0.40 1.00 0.15 -0.78 0.00 -1.07 -1.20 119.26 117.77 1pls h ALA 91 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1pls h ALA 91 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1pls h ALA 91 CO 0.15 0.00 -1.55 -1.49 0.00 0.00 0.00 179.25 176.36 1pls h TRP 92 N 0.00 0.59 0.01 0.00 4.06 -0.81 -1.75 115.95 118.04 1pls h TRP 92 Ca 0.00 -0.43 -0.19 0.00 2.06 0.00 0.00 58.89 60.33 1pls h TRP 92 Cb 0.68 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.80 1pls h TRP 92 CO 0.00 1.46 -0.89 -0.24 -3.56 0.00 0.00 178.44 175.21 1pls h VAL 93 N 0.09 1.55 0.00 1.49 3.04 -1.10 -1.64 116.25 119.68 1pls h VAL 93 Ca -0.26 -2.80 -0.10 0.00 -1.01 0.00 0.00 66.70 62.53 1pls h VAL 93 Cb 2.05 2.55 -0.02 0.00 -2.01 0.00 0.00 31.29 33.87 1pls h VAL 93 CO 0.18 0.81 -0.77 0.03 -1.01 0.00 0.00 177.57 176.82 1pls h ARG 94 N 0.05 0.00 0.21 4.17 2.47 -1.32 -2.63 114.38 117.33 1pls h ARG 94 Ca -0.03 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.34 1pls h ARG 94 Cb 1.54 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.88 1pls h ARG 94 CO 0.13 0.35 -1.66 0.22 0.56 0.00 0.00 179.97 179.57 1pls h ASP 95 N 0.00 0.68 0.35 7.04 1.82 -1.30 0.45 116.42 125.46 1pls h ASP 95 Ca -0.05 -0.91 -0.14 0.00 -0.39 0.00 0.00 57.03 55.54 1pls h ASP 95 Cb 1.37 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1pls h ASP 95 CO 0.05 1.75 -0.59 0.40 -1.61 0.00 0.00 179.24 179.23 1pls h ILE 96 N 0.12 1.38 0.01 2.25 2.04 -1.41 -1.90 117.51 120.01 1pls h ILE 96 Ca -0.31 -1.96 -0.25 0.00 1.00 0.00 0.00 64.86 63.34 1pls h ILE 96 Cb 2.12 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 40.15 1pls h ILE 96 CO 0.21 0.58 -1.33 -1.13 0.00 0.00 0.00 178.15 176.48 1pls h ASN 97 N 0.18 0.05 0.06 1.72 -1.24 -1.56 -2.54 115.58 112.25 1pls h ASN 97 Ca -0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1pls h ASN 97 Cb 1.09 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1pls h ASN 97 CO 0.09 1.05 -0.03 0.50 -1.29 0.00 0.00 177.43 177.76 1pls h LYS 98 N 0.01 -0.08 -0.15 6.67 3.64 -0.80 -1.61 116.57 124.24 1pls h LYS 98 Ca -0.14 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1pls h LYS 98 Cb 1.89 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1pls h LYS 98 CO 0.11 0.27 -0.29 0.00 -2.27 0.00 0.00 179.45 177.27 1pls h ALA 99 N 0.46 1.23 -0.78 5.00 0.00 -1.47 -0.59 119.26 123.10 1pls h ALA 99 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1pls h ALA 99 Cb 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1pls h ALA 99 CO 0.01 0.51 0.41 0.82 0.00 0.00 0.00 179.25 181.00 1pls h ILE 100 N 0.25 1.24 0.00 0.00 2.04 -1.29 0.29 117.51 120.04 1pls h ILE 100 Ca 0.04 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1pls h ILE 100 Cb 0.65 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1pls h ILE 100 CO 0.05 0.27 -0.24 0.29 0.00 0.00 0.00 178.15 178.52 1pls n LYS 101 N -4.41 0.20 0.01 2.37 5.02 -0.62 -3.33 118.16 117.40 1pls n LYS 101 Ca 0.07 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1pls n LYS 101 Cb 0.11 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.45 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls n ILE 103 N -1.71 0.20 1.33 0.00 0.13 0.92 -3.41 119.36 116.83 1pls n ILE 103 Ca 0.03 -0.27 0.15 0.00 -1.10 0.00 0.00 62.75 61.56 1pls n ILE 103 Cb 0.38 0.14 0.73 0.00 -0.84 0.00 0.00 39.64 40.05 1pls n ILE 103 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1pls n GLU 104 N -2.02 0.34 0.00 9.51 1.02 -1.23 -3.23 120.64 125.04 1pls n GLU 104 Ca 0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1pls n GLU 104 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pls n GLY 105 N 1.33 0.70 2.72 0.62 0.00 -1.25 -4.81 105.19 104.50 1pls n GLY 105 Ca 0.13 0.00 -0.40 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 -0.28 7.32 0.00 0.99 -0.00 -1.20 -4.76 117.00 119.07 1pls n LEU 106 Ca 0.00 -5.25 0.00 0.00 -0.00 0.00 0.00 56.01 50.76 1pls n LEU 106 Cb 0.30 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 1pls n LEU 106 CO 0.00 1.98 0.00 -0.62 -0.00 0.00 0.00 177.39 178.75 1pls n GLU 107 N -0.20 0.00 0.00 1.96 1.02 -1.26 -5.02 120.64 117.14 1pls n GLU 107 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1pls n GLU 107 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1pls n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pls n HIS 108 N -0.18 0.00 -4.08 -0.32 8.25 -1.26 -5.10 115.22 112.53 1pls n HIS 108 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1pls n HIS 108 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 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 0.00 3.10 0.00 4.41 3.76 -1.26 -5.11 115.29 120.19 1pls s HIS 109 Ca 0.00 -2.05 0.00 0.00 -0.15 0.00 0.00 55.06 52.86 1pls s HIS 109 Cb 0.00 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1pls s HIS 109 CO 0.00 -0.85 0.00 1.58 -0.85 0.00 0.00 174.74 174.62 1pls n HIS 110 N 4.51 -0.19 -4.10 1.40 -0.00 -1.26 -5.06 115.22 110.52 1pls n HIS 110 Ca -0.16 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.78 1pls n HIS 110 Cb 0.45 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.26 1pls n HIS 110 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1pls s HIS 111 N 0.00 2.70 -0.43 1.57 2.46 -1.26 -4.82 115.29 115.51 1pls s HIS 111 Ca 0.00 -0.40 -0.26 0.00 0.47 0.00 0.00 55.06 54.87 1pls s HIS 111 Cb 0.00 -1.66 0.04 0.00 -0.13 0.00 0.00 32.58 30.82 1pls s HIS 111 CO 0.00 0.33 0.60 1.58 -2.47 0.00 0.00 174.74 174.78 1pls n HIS 112 N -1.15 -3.08 1.60 3.88 -0.00 -1.26 -5.31 115.22 109.90 1pls n HIS 112 Ca -0.03 1.26 0.13 0.00 -0.00 0.00 0.00 57.72 59.08 1pls n HIS 112 Cb 0.61 -2.98 0.76 0.00 -0.00 0.00 0.00 29.99 28.38 1pls n HIS 112 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95