#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 3.15 0.00 0.03 2.02 -1.26 -5.10 118.70 117.55 1pls s GLU 2 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1pls s GLU 2 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1pls s GLU 2 CO 0.00 0.20 0.00 -2.30 0.02 0.00 0.00 175.26 173.18 1pls n PRO 3 N -1.51 0.55 -4.00 0.39 -0.02 -1.26 -4.95 135.00 124.21 1pls n PRO 3 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 1pls n PRO 3 Cb 0.58 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.91 1pls n PRO 3 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pls s LYS 4 N -1.01 1.44 0.13 -0.52 1.02 -1.26 -4.99 119.74 114.56 1pls s LYS 4 Ca 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1pls s LYS 4 Cb 0.00 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1pls s LYS 4 CO 0.00 -0.93 0.00 0.54 -0.92 0.00 0.00 175.35 174.04 1pls n ARG 5 N 4.31 -2.25 -0.16 1.68 1.74 -1.26 -4.82 116.66 115.90 1pls n ARG 5 Ca 0.03 1.71 -0.11 0.00 -0.77 0.00 0.00 57.85 58.71 1pls n ARG 5 Cb 0.42 -1.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1pls h ILE 6 N 1.46 1.27 -3.38 0.55 5.03 -0.37 -3.46 117.51 118.62 1pls h ILE 6 Ca 0.00 -1.35 -0.40 0.00 -0.12 0.00 0.00 64.86 62.99 1pls h ILE 6 Cb 0.00 1.08 -0.14 0.00 -3.03 0.00 0.00 36.82 34.72 1pls h ILE 6 CO 0.00 0.47 -0.62 -0.13 -0.68 0.00 0.00 178.15 177.19 1pls s ARG 7 N -4.72 1.49 0.00 2.37 1.81 -0.74 -4.96 118.95 114.21 1pls s ARG 7 Ca -0.11 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.09 1pls s ARG 7 Cb 0.13 -0.52 0.00 0.00 -0.45 0.00 0.00 34.95 34.10 1pls s ARG 7 CO 0.87 -0.23 0.00 -0.85 -0.68 0.00 0.00 175.30 174.40 1pls n GLU 8 N -0.54 0.00 0.00 3.54 0.28 -1.26 -0.39 120.64 122.26 1pls n GLU 8 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1pls n GLU 8 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 1pls n GLU 8 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pls n GLY 9 N -0.01 2.86 2.59 -1.84 0.00 -0.49 -4.98 105.19 103.31 1pls n GLY 9 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.64 0.44 0.25 1.61 1.13 -1.26 -1.63 117.35 117.24 1pls s TYR 10 Ca 0.00 -0.77 0.11 0.00 -1.41 0.00 0.00 57.07 55.00 1pls s TYR 10 Cb 0.00 -0.91 -0.05 0.00 -1.10 0.00 0.00 41.96 39.90 1pls s TYR 10 CO 0.00 -0.72 -0.21 -0.51 -2.51 0.00 0.00 175.55 171.60 1pls s LEU 11 N 2.06 2.54 -0.07 -3.49 2.01 0.47 -4.66 118.68 117.53 1pls s LEU 11 Ca 0.06 -0.98 -0.23 0.00 0.01 0.00 0.00 54.13 52.99 1pls s LEU 11 Cb -0.16 -1.08 -0.04 0.00 0.01 0.00 0.00 46.19 44.92 1pls s LEU 11 CO -0.25 0.05 0.70 0.54 1.01 0.00 0.00 176.35 178.40 1pls s VAL 12 N -2.28 5.04 0.41 -1.59 0.11 -1.01 0.16 120.40 121.24 1pls s VAL 12 Ca 0.26 1.45 0.07 0.00 -2.93 0.00 0.00 61.98 60.83 1pls s VAL 12 Cb -0.06 -4.04 -0.07 0.00 -1.53 0.00 0.00 36.38 30.69 1pls s VAL 12 CO 0.13 0.25 0.10 -0.75 -3.33 0.00 0.00 175.10 171.49 1pls s LYS 13 N 0.84 2.09 -0.08 1.54 2.47 -0.97 -1.06 119.74 124.58 1pls s LYS 13 Ca 0.38 -1.98 0.03 0.00 -1.56 0.00 0.00 55.97 52.83 1pls s LYS 13 Cb -0.18 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.37 1pls s LYS 13 CO 0.18 -0.09 -0.18 0.21 0.16 0.00 0.00 175.35 175.63 1pls s LYS 14 N -3.81 2.83 0.00 4.03 2.20 0.03 -3.28 119.74 121.75 1pls s LYS 14 Ca 0.38 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1pls s LYS 14 Cb 0.07 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1pls s LYS 14 CO 0.20 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 176.00 1pls n GLY 15 N 2.96 0.70 0.00 5.54 0.00 -1.26 -4.58 105.19 108.55 1pls n GLY 15 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1pls n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 16 N 0.00 3.38 0.00 1.61 2.88 -1.26 -5.04 113.62 115.19 1pls n SER 16 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pls n SER 16 Cb 0.00 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1pls n VAL 17 N -1.86 0.00 -3.32 2.46 0.24 -1.26 -5.03 118.33 109.56 1pls n VAL 17 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1pls n VAL 17 Cb 0.37 -0.10 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pls n PHE 18 N -0.53 0.94 -3.46 6.34 3.72 -1.26 -4.92 117.46 118.28 1pls n PHE 18 Ca 0.00 -3.75 -0.23 0.00 -0.05 0.00 0.00 57.45 53.43 1pls n PHE 18 Cb 0.00 -0.35 0.05 0.00 -0.94 0.00 0.00 39.48 38.24 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pls n ASN 19 N 1.45 -6.05 -1.01 4.37 5.03 -1.26 -5.01 115.26 112.78 1pls n ASN 19 Ca 0.25 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.86 1pls n ASN 19 Cb 0.48 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1pls n THR 20 N -3.61 0.00 -3.39 3.41 -2.24 -1.26 -4.97 114.28 102.22 1pls n THR 20 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1pls n THR 20 Cb 0.60 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.30 -0.66 0.00 4.78 0.52 -1.26 -4.21 118.94 118.41 1pls s TRP 21 Ca 0.00 0.59 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 1pls s TRP 21 Cb 0.00 -0.12 -0.00 0.00 -1.15 0.00 0.00 33.47 32.20 1pls s TRP 21 CO 0.00 -0.71 0.00 0.15 0.02 0.00 0.00 176.95 176.41 1pls s LYS 22 N 2.48 0.12 0.82 4.98 1.02 -1.21 -4.97 119.74 122.98 1pls s LYS 22 Ca 0.11 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.77 1pls s LYS 22 Cb -0.15 0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 1pls s LYS 22 CO -0.16 -0.02 0.43 -2.30 -0.92 0.00 0.00 175.35 172.38 1pls n PRO 23 N 2.60 0.06 -3.82 -1.68 -0.02 -1.26 -2.29 135.00 128.57 1pls n PRO 23 Ca -0.16 0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.31 1pls n PRO 23 Cb 0.58 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 32.27 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 -3.08 2.04 0.03 -0.52 0.23 0.12 -4.74 119.30 113.38 1pls s MET 24 Ca 0.61 -1.27 0.03 0.00 -1.03 0.00 0.00 55.69 54.03 1pls s MET 24 Cb -0.29 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1pls s MET 24 CO 0.63 -0.95 -0.03 -0.46 -2.03 0.00 0.00 175.02 172.17 1pls s TRP 25 N -2.67 2.95 -0.05 3.16 -0.11 -0.35 -0.39 118.94 121.48 1pls s TRP 25 Ca 0.15 -0.01 -0.15 0.00 1.22 0.00 0.00 56.10 57.31 1pls s TRP 25 Cb -0.05 -1.60 0.03 0.00 -1.50 0.00 0.00 33.47 30.35 1pls s TRP 25 CO 0.10 0.43 0.35 0.54 -4.62 0.00 0.00 176.95 173.74 1pls s VAL 26 N -1.11 0.04 -0.11 5.86 0.11 -0.65 -0.23 120.40 124.31 1pls s VAL 26 Ca 0.20 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1pls s VAL 26 Cb -0.11 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1pls s VAL 26 CO 0.11 -0.17 -0.05 0.68 -3.33 0.00 0.00 175.10 172.34 1pls s VAL 27 N -0.90 0.87 -0.14 2.04 -7.23 -0.88 -1.40 120.40 112.76 1pls s VAL 27 Ca -0.10 -0.23 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 1pls s VAL 27 Cb -0.04 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 1pls s VAL 27 CO 0.04 0.31 0.97 -0.76 -0.31 0.00 0.00 175.10 175.34 1pls s LEU 28 N 1.77 4.21 0.28 1.32 1.43 0.47 -2.28 118.68 125.88 1pls s LEU 28 Ca 0.04 1.42 0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1pls s LEU 28 Cb -0.13 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1pls s LEU 28 CO -0.07 -0.46 -0.20 -0.76 0.23 0.00 0.00 176.35 175.09 1pls s LEU 29 N 2.18 2.59 0.47 1.79 1.02 -0.06 0.42 118.68 127.09 1pls s LEU 29 Ca 0.45 -1.03 0.26 0.00 0.02 0.00 0.00 54.13 53.84 1pls s LEU 29 Cb -0.17 -1.11 0.92 0.00 0.02 0.00 0.00 46.19 45.85 1pls s LEU 29 CO 0.15 0.04 1.82 1.05 0.02 0.00 0.00 176.35 179.43 1pls h GLU 30 N 2.28 0.00 -0.62 1.70 4.11 -1.96 -2.52 114.58 117.57 1pls h GLU 30 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1pls h GLU 30 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pls h GLU 30 CO 0.60 0.14 0.00 -0.40 0.07 0.00 0.00 179.01 179.42 1pls n ASP 31 N -3.24 3.74 0.00 3.06 5.68 -1.26 -4.56 116.55 119.96 1pls n ASP 31 Ca 0.01 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1pls n ASP 31 Cb 0.43 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pls n GLY 32 N 1.17 3.15 3.25 6.12 0.00 -0.95 -4.78 105.19 113.15 1pls n GLY 32 Ca 0.21 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 3.42 -0.27 -0.61 1.09 -0.72 -0.88 121.20 121.22 1pls s ILE 33 Ca 0.00 -1.05 -0.07 0.00 -1.10 0.00 0.00 60.65 58.44 1pls s ILE 33 Cb 0.00 -2.85 -0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1pls s ILE 33 CO 0.00 0.00 0.06 -1.83 -0.10 0.00 0.00 174.94 173.08 1pls s GLU 34 N 1.37 3.34 0.10 2.79 -1.05 -0.97 -0.21 118.70 124.07 1pls s GLU 34 Ca -0.01 -0.68 0.08 0.00 -0.15 0.00 0.00 54.97 54.21 1pls s GLU 34 Cb -0.18 -3.32 -0.04 0.00 -0.44 0.00 0.00 34.13 30.15 1pls s GLU 34 CO -0.00 -0.32 -0.17 -0.59 0.95 0.00 0.00 175.26 175.13 1pls s PHE 35 N 1.54 2.58 0.00 4.83 -0.12 -0.99 -2.08 117.98 123.74 1pls s PHE 35 Ca 0.04 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 1pls s PHE 35 Cb -0.16 -1.39 0.00 0.00 -0.63 0.00 0.00 43.02 40.84 1pls s PHE 35 CO 0.02 0.36 0.00 0.66 -0.05 0.00 0.00 175.22 176.22 1pls n TYR 36 N 0.95 0.00 -0.03 3.49 4.02 0.69 -1.27 117.16 125.01 1pls n TYR 36 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 1pls n TYR 36 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1pls n TYR 36 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1pls n LYS 37 N 0.00 0.68 -1.81 -0.72 4.76 -1.26 -1.21 118.16 118.60 1pls n LYS 37 Ca 0.00 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1pls n LYS 37 Cb 0.00 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pls n LYS 38 N -3.18 1.78 -0.06 1.97 4.01 -1.26 -1.96 118.16 119.45 1pls n LYS 38 Ca -0.26 0.00 0.25 0.00 -0.51 0.00 0.00 58.31 57.78 1pls n LYS 38 Cb 1.06 0.00 0.60 0.00 -0.51 0.00 0.00 35.03 36.17 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1pls h LYS 39 N 0.00 0.00 0.00 1.97 1.63 -1.92 -3.37 116.57 114.88 1pls h LYS 39 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pls h LYS 39 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pls h LYS 39 CO 0.00 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.43 1pls n SER 40 N -3.46 0.00 -0.17 4.20 7.64 -1.26 -4.92 113.62 115.65 1pls n SER 40 Ca 0.16 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1pls n SER 40 Cb 1.09 0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 64.61 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 -2.37 -5.80 -1.53 6.43 2.03 -1.26 -2.66 116.55 111.39 1pls n ASP 41 Ca 0.00 0.06 -0.04 0.00 0.52 0.00 0.00 54.79 55.33 1pls n ASP 41 Cb 0.00 -3.51 -0.01 0.00 -0.72 0.00 0.00 41.12 36.88 1pls n ASP 41 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1pls n ASN 42 N -0.98 -1.28 -3.15 1.67 5.15 -1.26 -4.76 115.26 110.65 1pls n ASN 42 Ca -0.02 0.19 0.04 0.00 -0.60 0.00 0.00 54.58 54.19 1pls n ASN 42 Cb 0.50 -1.42 -0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1pls s SER 43 N -1.53 -1.28 0.40 1.20 0.15 -1.09 -5.15 113.70 106.40 1pls s SER 43 Ca 0.00 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.55 1pls s SER 43 Cb 0.00 1.81 -0.08 0.00 -1.71 0.00 0.00 66.02 66.04 1pls s SER 43 CO 0.00 -0.23 1.15 -2.16 1.20 0.00 0.00 173.24 173.19 1pls s PRO 44 N 2.87 4.08 0.15 5.44 0.04 -1.26 -4.37 135.00 141.94 1pls s PRO 44 Ca 0.15 1.78 0.20 0.00 0.04 0.00 0.00 61.00 63.17 1pls s PRO 44 Cb -0.08 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1pls s PRO 44 CO -0.25 -0.28 0.97 0.87 0.04 0.00 0.00 177.00 178.35 1pls h LYS 45 N 2.63 0.00 0.00 4.56 1.57 -1.49 -3.48 116.57 120.36 1pls h LYS 45 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1pls h LYS 45 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1pls h LYS 45 CO 0.62 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 1pls n GLY 46 N 1.28 1.58 3.23 3.86 0.00 -1.23 -5.07 105.19 108.83 1pls n GLY 46 Ca -0.04 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.36 0.80 -3.74 1.61 2.81 -1.26 -2.34 117.12 114.64 1pls n MET 47 Ca 0.00 -3.30 -0.24 0.00 -1.81 0.00 0.00 57.70 52.35 1pls n MET 47 Cb 0.00 1.15 -0.17 0.00 -0.71 0.00 0.00 33.22 33.49 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 -2.75 0.34 -0.06 2.02 1.01 0.70 -4.91 121.20 117.55 1pls s ILE 48 Ca 0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1pls s ILE 48 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1pls s ILE 48 CO 0.04 0.07 1.45 -2.16 0.00 0.00 0.00 174.94 174.35 1pls s PRO 49 N 1.97 4.23 0.00 2.79 0.04 -1.26 -1.76 135.00 141.01 1pls s PRO 49 Ca 0.03 1.96 0.21 0.00 0.04 0.00 0.00 61.00 63.24 1pls s PRO 49 Cb -0.14 -3.76 1.22 0.00 0.04 0.00 0.00 34.50 31.86 1pls s PRO 49 CO -0.06 -0.70 1.62 1.28 0.04 0.00 0.00 177.00 179.18 1pls n LEU 50 N 6.28 0.00 -0.26 -3.56 4.32 -1.26 -3.96 117.00 118.56 1pls n LEU 50 Ca 0.15 0.03 -0.12 0.00 -0.02 0.00 0.00 56.01 56.05 1pls n LEU 50 Cb 0.44 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.11 1pls n LEU 50 CO 0.59 -0.01 0.49 0.50 -1.22 0.00 0.00 177.39 177.74 1pls h LYS 51 N 0.00 -0.19 -0.00 3.23 3.64 -1.89 -3.40 116.57 117.96 1pls h LYS 51 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1pls h LYS 51 Cb 0.02 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 31.75 1pls h LYS 51 CO 0.00 -0.13 -0.30 0.41 -2.27 0.00 0.00 179.45 177.16 1pls n GLY 52 N -1.30 -0.74 3.94 5.01 0.00 -1.25 -4.99 105.19 105.85 1pls n GLY 52 Ca -0.01 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1pls n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pls s SER 53 N -1.08 3.50 0.20 1.61 0.01 -1.26 -2.35 113.70 114.33 1pls s SER 53 Ca 0.29 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1pls s SER 53 Cb 0.22 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1pls s SER 53 CO -0.18 -2.47 0.02 0.28 0.41 0.00 0.00 173.24 171.30 1pls s THR 54 N -3.70 0.72 -0.12 1.44 -1.32 -0.23 -4.83 115.64 107.60 1pls s THR 54 Ca 0.71 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1pls s THR 54 Cb -0.05 -2.24 0.02 0.00 -1.51 0.00 0.00 72.50 68.72 1pls s THR 54 CO 0.51 -0.37 -0.16 -0.22 -2.21 0.00 0.00 174.62 172.16 1pls s LEU 55 N -3.22 1.79 -0.22 9.08 0.20 -1.26 -1.49 118.68 123.56 1pls s LEU 55 Ca 0.27 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.58 1pls s LEU 55 Cb 0.06 -1.18 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1pls s LEU 55 CO 0.06 0.01 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.21 1pls s THR 56 N 1.05 3.40 -0.20 3.68 2.01 0.11 -4.95 115.64 120.73 1pls s THR 56 Ca -0.04 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1pls s THR 56 Cb -0.15 -2.55 0.10 0.00 0.01 0.00 0.00 72.50 69.91 1pls s THR 56 CO -0.03 0.41 0.36 -0.94 -0.69 0.00 0.00 174.62 173.73 1pls s SER 57 N 1.48 0.12 1.04 3.53 1.04 -1.26 -1.61 113.70 118.04 1pls s SER 57 Ca 0.06 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 1pls s SER 57 Cb -0.14 1.10 0.06 0.00 0.10 0.00 0.00 66.02 67.14 1pls s SER 57 CO -0.03 -0.26 0.24 -0.81 0.98 0.00 0.00 173.24 173.36 1pls n PRO 58 N 5.37 -1.26 0.00 4.02 -0.04 -1.26 -5.13 135.00 136.70 1pls n PRO 58 Ca -0.06 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1pls n PRO 58 Cb 0.50 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 0.00 0.00 -0.29 0.00 10.64 -1.26 -4.99 117.38 121.48 1pls n GLN 60 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 1pls n GLN 60 Cb 0.00 0.00 0.12 0.00 -0.86 0.00 0.00 30.24 29.50 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pls n ASP 61 N 0.00 2.53 -0.08 2.61 2.03 -1.26 -3.20 116.55 119.19 1pls n ASP 61 Ca 0.00 -2.31 -0.09 0.00 0.52 0.00 0.00 54.79 52.91 1pls n ASP 61 Cb 0.00 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 39.79 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1pls h PHE 62 N 1.12 0.00 -0.24 -0.67 3.04 -2.02 -3.40 116.94 114.76 1pls h PHE 62 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1pls h PHE 62 Cb 1.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1pls h PHE 62 CO 0.35 0.41 0.00 0.41 -2.02 0.00 0.00 178.31 177.47 1pls n GLY 63 N 1.57 3.68 3.52 2.40 0.00 -1.26 -4.96 105.19 110.14 1pls n GLY 63 Ca -0.14 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.31 0.30 0.00 1.61 4.81 -1.19 -3.84 118.16 119.54 1pls n LYS 64 Ca 0.16 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1pls n LYS 64 Cb 0.68 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.52 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 7.43 0.00 0.00 1.64 1.74 -1.26 -5.07 116.66 121.14 1pls n ARG 65 Ca 0.57 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1pls n ARG 65 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 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 2.42 -3.36 5.56 2.81 -1.25 -4.84 117.12 118.46 1pls n MET 66 Ca 0.00 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.45 1pls n MET 66 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1pls n MET 66 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1pls n PHE 67 N 0.00 5.21 -5.06 2.03 3.72 -1.26 -5.00 117.46 117.10 1pls n PHE 67 Ca 0.00 -3.92 -0.32 0.00 -0.05 0.00 0.00 57.45 53.16 1pls n PHE 67 Cb 0.00 -1.67 -0.16 0.00 -0.94 0.00 0.00 39.48 36.71 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pls s VAL 68 N -1.32 2.49 0.37 -4.37 0.11 -1.26 -2.33 120.40 114.08 1pls s VAL 68 Ca 0.31 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1pls s VAL 68 Cb -0.10 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.72 1pls s VAL 68 CO -0.08 0.56 0.06 0.72 -3.33 0.00 0.00 175.10 173.02 1pls s PHE 69 N 0.08 2.01 -0.13 1.54 -0.12 -0.99 -3.98 117.98 116.39 1pls s PHE 69 Ca -0.09 -0.97 -0.02 0.00 -0.05 0.00 0.00 56.93 55.80 1pls s PHE 69 Cb -0.15 -1.36 0.04 0.00 -0.63 0.00 0.00 43.02 40.92 1pls s PHE 69 CO 0.06 0.04 -0.01 0.21 -0.05 0.00 0.00 175.22 175.46 1pls s LYS 70 N -3.83 0.87 0.36 1.99 2.36 -0.64 -2.41 119.74 118.44 1pls s LYS 70 Ca 0.32 -0.20 0.02 0.00 -2.55 0.00 0.00 55.97 53.55 1pls s LYS 70 Cb 0.07 -1.57 -0.02 0.00 -1.05 0.00 0.00 37.83 35.26 1pls s LYS 70 CO 0.15 -0.43 0.55 0.42 1.55 0.00 0.00 175.35 177.59 1pls s ILE 71 N 1.85 4.66 -0.39 5.43 1.01 -0.67 0.08 121.20 133.16 1pls s ILE 71 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1pls s ILE 71 Cb -0.14 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.76 1pls s ILE 71 CO -0.07 -0.41 0.20 -0.89 0.00 0.00 0.00 174.94 173.76 1pls s THR 72 N -2.33 1.15 0.64 2.92 2.01 -0.56 -1.09 115.64 118.37 1pls s THR 72 Ca 0.42 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 60.09 1pls s THR 72 Cb -0.10 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1pls s THR 72 CO 0.35 -0.84 1.12 0.35 -0.69 0.00 0.00 174.62 174.91 1pls n THR 73 N 3.95 4.25 -0.21 -0.82 -2.24 -1.16 -1.07 114.28 116.98 1pls n THR 73 Ca 0.06 -0.49 0.30 0.00 -2.27 0.00 0.00 64.05 61.65 1pls n THR 73 Cb 0.37 -1.30 0.56 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.40 0.10 -0.41 4.28 1.03 -1.69 0.82 112.91 117.43 1pls h THR 74 Ca -0.50 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 65.65 1pls h THR 74 Cb 1.35 0.16 -0.12 0.00 -1.07 0.00 0.00 68.15 68.47 1pls h THR 74 CO 0.51 0.00 0.32 1.17 -0.01 0.00 0.00 175.52 177.52 1pls n LYS 75 N -3.46 1.62 -2.67 0.00 4.81 -1.26 -4.80 118.16 112.39 1pls n LYS 75 Ca 0.22 -1.31 -0.08 0.00 -0.87 0.00 0.00 58.31 56.28 1pls n LYS 75 Cb 1.38 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 34.91 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 0.19 -2.68 -2.93 1.64 1.13 0.28 -4.81 117.38 110.20 1pls n GLN 76 Ca 0.26 0.21 -0.44 0.00 -1.94 0.00 0.00 57.00 55.08 1pls n GLN 76 Cb 0.76 -4.75 -0.02 0.00 0.11 0.00 0.00 30.24 26.34 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1pls s GLN 77 N -5.22 3.73 0.47 -1.09 0.74 -1.17 -4.84 119.66 112.27 1pls s GLN 77 Ca 0.08 -1.98 -0.24 0.00 0.05 0.00 0.00 55.36 53.27 1pls s GLN 77 Cb -0.05 -4.95 -0.08 0.00 1.10 0.00 0.00 33.01 29.03 1pls s GLN 77 CO 0.10 -1.77 1.32 -0.25 -0.55 0.00 0.00 175.29 174.14 1pls n ASP 78 N 6.29 2.68 -3.69 6.67 9.92 -1.26 -3.00 116.55 134.17 1pls n ASP 78 Ca 0.27 1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 55.31 1pls n ASP 78 Cb 0.47 -1.54 -0.16 0.00 -0.64 0.00 0.00 41.12 39.26 1pls n ASP 78 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1pls s HIS 79 N -1.24 0.95 -0.38 1.24 3.76 -0.25 -4.92 115.29 114.44 1pls s HIS 79 Ca 0.64 -0.98 -0.13 0.00 -0.15 0.00 0.00 55.06 54.44 1pls s HIS 79 Cb -0.46 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.13 1pls s HIS 79 CO 0.55 -0.69 0.25 -0.06 -0.85 0.00 0.00 174.74 173.94 1pls s PHE 80 N 1.88 3.23 0.00 1.40 0.40 -1.26 -1.66 117.98 121.97 1pls s PHE 80 Ca 0.03 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.68 1pls s PHE 80 Cb -0.17 -2.51 -0.00 0.00 0.51 0.00 0.00 43.02 40.85 1pls s PHE 80 CO -0.17 -0.56 0.07 -0.59 0.70 0.00 0.00 175.22 174.67 1pls s PHE 81 N 1.64 0.08 -0.03 0.36 -0.12 -1.01 -0.79 117.98 118.12 1pls s PHE 81 Ca 0.04 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1pls s PHE 81 Cb -0.19 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1pls s PHE 81 CO 0.09 -0.20 -0.14 -1.14 -0.05 0.00 0.00 175.22 173.78 1pls s GLN 82 N -1.09 2.42 0.00 1.99 0.74 -0.22 -2.33 119.66 121.17 1pls s GLN 82 Ca -0.12 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.54 1pls s GLN 82 Cb -0.07 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.69 1pls s GLN 82 CO 0.00 0.61 0.00 0.00 -0.55 0.00 0.00 175.29 175.35 1pls n ALA 83 N 2.06 0.00 -0.51 1.58 0.00 -0.99 -2.40 120.51 120.25 1pls n ALA 83 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 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 -2.57 0.00 0.00 -1.26 -4.84 120.51 108.84 1pls n ALA 84 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1pls n ALA 84 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.49 1.65 0.09 0.00 -0.71 -1.26 -4.80 117.98 112.46 1pls s PHE 85 Ca 0.00 -0.92 -0.32 0.00 -1.04 0.00 0.00 56.93 54.65 1pls s PHE 85 Cb 0.00 -1.76 -0.15 0.00 -1.21 0.00 0.00 43.02 39.90 1pls s PHE 85 CO 0.00 -0.19 1.61 1.25 -1.34 0.00 0.00 175.22 176.55 1pls h LEU 86 N 0.98 -1.00 -0.41 -1.99 6.46 -1.97 0.83 115.31 118.21 1pls h LEU 86 Ca -0.40 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 1pls h LEU 86 Cb 1.31 0.33 -0.08 0.00 -0.73 0.00 0.00 40.66 41.49 1pls h LEU 86 CO 0.64 -0.54 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.69 1pls h GLU 87 N -0.81 -0.07 0.00 1.25 4.22 -2.00 0.25 114.58 117.42 1pls h GLU 87 Ca -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1pls h GLU 87 Cb 0.71 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1pls h GLU 87 CO -0.03 -0.05 -0.13 1.49 -2.18 0.00 0.00 179.01 178.11 1pls h GLU 88 N -0.08 0.00 0.22 1.92 4.81 -1.91 -1.24 114.58 118.31 1pls h GLU 88 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1pls h GLU 88 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1pls h GLU 88 CO -0.46 0.13 -0.10 -0.09 -0.73 0.00 0.00 179.01 177.76 1pls h ARG 89 N 0.00 -0.28 -0.28 1.92 2.43 0.20 -1.44 114.38 116.93 1pls h ARG 89 Ca -0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1pls h ARG 89 Cb 0.37 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1pls h ARG 89 CO 0.02 -0.19 0.19 -0.44 -1.51 0.00 0.00 179.97 178.04 1pls h ASP 90 N -0.41 0.25 -0.44 -3.80 3.32 -1.38 -0.71 116.42 113.24 1pls h ASP 90 Ca -0.03 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1pls h ASP 90 Cb 0.22 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1pls h ASP 90 CO 0.05 0.18 0.12 0.00 -1.72 0.00 0.00 179.24 177.86 1pls h ALA 91 N 1.84 1.26 0.28 3.45 0.00 -1.22 0.45 119.26 125.32 1pls h ALA 91 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1pls h ALA 91 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pls h ALA 91 CO -0.02 0.52 -0.14 -1.49 0.00 0.00 0.00 179.25 178.12 1pls h TRP 92 N 0.75 -0.35 0.00 0.00 4.06 -0.02 -2.54 115.95 117.85 1pls h TRP 92 Ca 0.17 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1pls h TRP 92 Cb 0.28 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1pls h TRP 92 CO 0.02 -0.03 0.00 1.33 -3.56 0.00 0.00 178.44 176.20 1pls n VAL 93 N -5.04 1.17 0.11 1.49 0.24 -0.78 -1.46 118.33 114.07 1pls n VAL 93 Ca -0.08 0.58 -0.18 0.00 -2.04 0.00 0.00 64.34 62.62 1pls n VAL 93 Cb 0.25 -1.55 -0.14 0.00 -1.47 0.00 0.00 33.84 30.92 1pls n VAL 93 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1pls h ARG 94 N 0.00 0.32 0.00 7.34 2.47 0.11 -2.59 114.38 122.03 1pls h ARG 94 Ca 0.00 -0.55 -0.18 0.00 -1.26 0.00 0.00 59.98 57.98 1pls h ARG 94 Cb 0.08 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 1pls h ARG 94 CO 0.00 1.25 -1.17 0.22 0.56 0.00 0.00 179.97 180.83 1pls h ASP 95 N 0.09 0.00 0.37 7.04 1.82 -0.83 -0.74 116.42 124.17 1pls h ASP 95 Ca -0.17 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.20 1pls h ASP 95 Cb 2.02 0.00 0.01 0.00 0.68 0.00 0.00 39.33 42.04 1pls h ASP 95 CO 0.21 0.72 -1.15 0.40 -1.61 0.00 0.00 179.24 177.81 1pls h ILE 96 N 0.00 1.39 0.14 2.25 2.04 -1.42 -0.92 117.51 120.99 1pls h ILE 96 Ca -0.12 -2.65 -0.32 0.00 1.00 0.00 0.00 64.86 62.76 1pls h ILE 96 Cb 1.65 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1pls h ILE 96 CO 0.07 0.79 -1.63 -1.13 0.00 0.00 0.00 178.15 176.26 1pls h ASN 97 N 0.19 0.47 -0.01 1.72 -0.73 -1.57 -2.58 115.58 113.07 1pls h ASN 97 Ca -0.14 -0.68 -0.00 0.00 1.87 0.00 0.00 56.30 57.35 1pls h ASN 97 Cb 1.83 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 40.26 1pls h ASN 97 CO 0.20 1.57 -0.01 0.50 -0.37 0.00 0.00 177.43 179.33 1pls h LYS 98 N 0.08 0.02 -0.84 6.67 1.63 -1.22 -1.19 116.57 121.73 1pls h LYS 98 Ca -0.29 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.48 1pls h LYS 98 Cb 2.05 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.64 1pls h LYS 98 CO 0.17 0.48 0.43 0.00 -3.45 0.00 0.00 179.45 177.08 1pls h ALA 99 N 0.54 1.08 -0.80 5.00 0.00 -1.31 0.76 119.26 124.53 1pls h ALA 99 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1pls h ALA 99 Cb 0.48 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1pls h ALA 99 CO 0.00 0.62 0.40 0.82 0.00 0.00 0.00 179.25 181.09 1pls h ILE 100 N 1.18 1.25 0.00 0.00 2.04 -1.40 0.22 117.51 120.80 1pls h ILE 100 Ca 0.29 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1pls h ILE 100 Cb 0.08 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1pls h ILE 100 CO -0.04 0.29 0.00 1.17 0.00 0.00 0.00 178.15 179.57 1pls n LYS 101 N -4.32 0.01 0.04 2.37 4.81 -0.45 -3.01 118.16 117.60 1pls n LYS 101 Ca 0.08 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1pls n LYS 101 Cb 0.13 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.58 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pls h ILE 103 N 0.00 0.00 0.00 0.00 6.09 -0.94 -3.28 117.51 119.38 1pls h ILE 103 Ca -0.00 -0.65 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 1pls h ILE 103 Cb 1.01 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1pls h ILE 103 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1pls n GLU 104 N -2.31 0.11 -0.03 2.19 1.02 -1.18 -1.59 120.64 118.85 1pls n GLU 104 Ca 0.02 0.42 0.02 0.00 -0.02 0.00 0.00 57.16 57.61 1pls n GLU 104 Cb 0.47 -1.75 0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.39 0.86 2.74 0.62 0.00 -1.24 -4.72 105.19 103.07 1pls n GLY 105 Ca 0.02 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1pls n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pls n LEU 106 N 0.05 6.48 0.00 0.99 7.99 -0.62 -5.04 117.00 126.86 1pls n LEU 106 Ca 0.03 -5.44 0.03 0.00 -0.01 0.00 0.00 56.01 50.62 1pls n LEU 106 Cb 0.20 -0.97 -0.01 0.00 -0.11 0.00 0.00 43.42 42.54 1pls n LEU 106 CO 0.03 2.13 -0.04 -0.62 -1.51 0.00 0.00 177.39 177.38 1pls n GLU 107 N -0.15 -0.45 0.00 3.23 1.02 -1.26 -4.96 120.64 118.06 1pls n GLU 107 Ca 0.43 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 1pls n GLU 107 Cb 0.31 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1pls n GLU 107 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1pls n HIS 108 N -2.26 -2.46 0.00 -0.32 -0.00 -1.26 -4.78 115.22 104.13 1pls n HIS 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pls n HIS 108 Cb 0.10 0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 109 N -2.50 0.00 -2.75 1.57 -0.00 -1.26 -5.10 115.22 105.17 1pls n HIS 109 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1pls n HIS 109 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1pls n HIS 109 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1pls s HIS 110 N -1.00 3.95 0.00 1.57 0.09 -1.26 -5.00 115.29 113.64 1pls s HIS 110 Ca 0.00 1.90 0.00 0.00 -0.00 0.00 0.00 55.06 56.96 1pls s HIS 110 Cb 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 32.58 29.61 1pls s HIS 110 CO 0.00 0.43 0.00 0.72 -0.00 0.00 0.00 174.74 175.89 1pls n HIS 111 N 1.38 0.00 -3.52 1.40 -0.00 -1.26 -4.99 115.22 108.23 1pls n HIS 111 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.54 1pls n HIS 111 Cb 0.47 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.37 1pls n HIS 111 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1pls s HIS 112 N -0.49 -0.59 -2.21 4.41 -3.43 -1.26 -5.12 115.29 106.60 1pls s HIS 112 Ca 0.00 0.97 0.30 0.00 -0.80 0.00 0.00 55.06 55.53 1pls s HIS 112 Cb 0.00 0.43 1.55 0.00 -1.43 0.00 0.00 32.58 33.13 1pls s HIS 112 CO 0.00 -0.58 2.03 0.72 -2.00 0.00 0.00 174.74 174.91