#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 2.78 0.53 0.03 2.02 -1.26 -5.07 118.70 117.73 1pls s GLU 2 Ca 0.00 -1.20 -0.20 0.00 0.02 0.00 0.00 54.97 53.58 1pls s GLU 2 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 1pls s GLU 2 CO 0.00 0.24 0.85 -2.30 0.02 0.00 0.00 175.26 174.07 1pls n PRO 3 N -1.26 0.93 -3.30 0.39 -0.02 -1.26 -5.00 135.00 125.48 1pls n PRO 3 Ca -0.05 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1pls n PRO 3 Cb 0.59 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.30 0.44 0.49 -0.52 1.02 -1.26 -5.10 119.74 112.51 1pls s LYS 4 Ca 0.69 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.77 1pls s LYS 4 Cb -0.48 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1pls s LYS 4 CO 0.52 -1.05 0.00 0.54 -0.92 0.00 0.00 175.35 174.45 1pls n ARG 5 N 5.28 -4.87 0.27 1.68 1.74 -1.26 -4.78 116.66 114.73 1pls n ARG 5 Ca 0.02 3.59 -0.15 0.00 -0.77 0.00 0.00 57.85 60.53 1pls n ARG 5 Cb 0.49 -4.01 -0.08 0.00 -1.02 0.00 0.00 32.46 27.85 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 2.14 0.44 -4.02 0.55 2.04 -1.89 -3.44 117.51 113.32 1pls h ILE 6 Ca 0.00 -0.28 -0.61 0.00 1.00 0.00 0.00 64.86 64.97 1pls h ILE 6 Cb 0.00 0.55 -0.23 0.00 -0.74 0.00 0.00 36.82 36.40 1pls h ILE 6 CO 0.00 0.04 -0.85 -0.13 0.00 0.00 0.00 178.15 177.22 1pls s ARG 7 N -5.26 1.32 -0.28 2.37 1.81 -1.02 -5.01 118.95 112.88 1pls s ARG 7 Ca -0.15 -1.15 -0.21 0.00 -1.72 0.00 0.00 55.73 52.50 1pls s ARG 7 Cb 0.03 -1.59 0.08 0.00 -0.45 0.00 0.00 34.95 33.02 1pls s ARG 7 CO 0.55 0.38 0.76 -1.83 -0.68 0.00 0.00 175.30 174.49 1pls s GLU 8 N -1.70 0.72 0.00 3.54 1.03 -1.26 -0.47 118.70 120.56 1pls s GLU 8 Ca 0.09 1.01 0.00 0.00 0.03 0.00 0.00 54.97 56.10 1pls s GLU 8 Cb -0.10 0.27 0.00 0.00 -0.80 0.00 0.00 34.13 33.51 1pls s GLU 8 CO 0.04 -0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.27 1pls n GLY 9 N 3.27 3.29 2.55 -3.83 0.00 -0.83 -5.00 105.19 104.63 1pls n GLY 9 Ca -0.16 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.72 0.52 0.26 1.61 1.13 -1.26 -2.23 117.35 116.67 1pls s TYR 10 Ca 0.00 -1.10 0.12 0.00 -1.41 0.00 0.00 57.07 54.68 1pls s TYR 10 Cb 0.00 -0.98 -0.05 0.00 -1.10 0.00 0.00 41.96 39.83 1pls s TYR 10 CO 0.00 -0.83 -0.18 -0.51 -2.51 0.00 0.00 175.55 171.52 1pls s LEU 11 N 1.86 2.66 -0.16 -3.49 2.01 0.65 -4.62 118.68 117.60 1pls s LEU 11 Ca 0.11 -0.95 -0.23 0.00 0.01 0.00 0.00 54.13 53.07 1pls s LEU 11 Cb -0.17 -1.20 -0.02 0.00 0.01 0.00 0.00 46.19 44.80 1pls s LEU 11 CO -0.29 0.05 0.72 0.54 1.01 0.00 0.00 176.35 178.38 1pls s VAL 12 N -2.35 4.97 0.04 -1.59 0.11 -0.98 0.37 120.40 120.97 1pls s VAL 12 Ca 0.29 1.41 0.06 0.00 -2.93 0.00 0.00 61.98 60.81 1pls s VAL 12 Cb -0.06 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 1pls s VAL 12 CO 0.15 0.11 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.16 1pls s LYS 13 N 1.73 2.26 0.61 1.54 2.47 -0.93 -1.54 119.74 125.87 1pls s LYS 13 Ca 0.34 -0.90 -0.19 0.00 -1.56 0.00 0.00 55.97 53.67 1pls s LYS 13 Cb -0.17 -2.33 -0.03 0.00 -1.46 0.00 0.00 37.83 33.85 1pls s LYS 13 CO 0.13 0.55 1.22 0.21 0.16 0.00 0.00 175.35 177.63 1pls s LYS 14 N -1.62 2.88 0.00 4.03 2.20 -0.68 -3.81 119.74 122.74 1pls s LYS 14 Ca 0.17 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1pls s LYS 14 Cb -0.11 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1pls s LYS 14 CO 0.08 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.19 1pls n GLY 15 N 0.56 0.99 3.25 5.54 0.00 -0.40 -4.80 105.19 110.32 1pls n GLY 15 Ca 0.14 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.04 0.00 1.61 2.88 -1.26 -3.29 113.62 113.53 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 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1pls n SER 16 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pls n VAL 17 N -2.01 0.00 -2.71 2.46 3.14 -1.26 -5.04 118.33 112.91 1pls n VAL 17 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1pls n VAL 17 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1pls n PHE 18 N 0.00 -2.09 -4.06 1.45 3.72 -1.26 -4.96 117.46 110.27 1pls n PHE 18 Ca 0.00 -1.16 -0.30 0.00 -0.05 0.00 0.00 57.45 55.94 1pls n PHE 18 Cb 0.00 1.32 -0.02 0.00 -0.94 0.00 0.00 39.48 39.84 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 2.01 -2.01 -1.23 4.37 4.13 -1.26 -4.84 115.26 116.42 1pls n ASN 19 Ca 0.09 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1pls n ASN 19 Cb 0.64 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.85 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 -4.43 0.00 -3.58 3.41 -2.24 -1.21 -4.55 114.28 101.69 1pls n THR 20 Ca -0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 1pls n THR 20 Cb 0.59 -0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.08 -0.06 4.78 0.52 -1.26 -1.28 118.94 122.96 1pls s TRP 21 Ca 0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 56.10 55.78 1pls s TRP 21 Cb 0.00 -0.62 0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1pls s TRP 21 CO 0.00 -0.56 0.30 0.15 0.02 0.00 0.00 176.95 176.87 1pls s LYS 22 N 2.19 0.54 0.95 4.98 1.02 -1.25 -4.99 119.74 123.18 1pls s LYS 22 Ca 0.04 0.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.95 1pls s LYS 22 Cb -0.16 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1pls s LYS 22 CO -0.12 -0.12 0.36 -2.30 -0.92 0.00 0.00 175.35 172.25 1pls n PRO 23 N 1.94 -0.29 -3.65 -1.68 -0.02 -1.26 -2.19 135.00 127.86 1pls n PRO 23 Ca -0.18 -0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.22 1pls n PRO 23 Cb 0.57 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 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 -3.58 0.85 0.08 -0.52 0.23 0.16 -4.71 119.30 111.80 1pls s MET 24 Ca 0.56 -0.43 -0.15 0.00 -1.03 0.00 0.00 55.69 54.64 1pls s MET 24 Cb -0.21 0.32 -0.06 0.00 -1.53 0.00 0.00 34.83 33.35 1pls s MET 24 CO 0.68 -0.39 0.50 -0.46 -2.03 0.00 0.00 175.02 173.32 1pls s TRP 25 N -2.99 3.70 -0.16 3.16 -0.11 0.20 -0.25 118.94 122.49 1pls s TRP 25 Ca 0.10 1.07 -0.09 0.00 1.22 0.00 0.00 56.10 58.41 1pls s TRP 25 Cb 0.00 -2.36 0.06 0.00 -1.50 0.00 0.00 33.47 29.67 1pls s TRP 25 CO -0.03 0.55 0.39 0.54 -4.62 0.00 0.00 176.95 173.79 1pls s VAL 26 N -1.24 -0.03 -0.23 5.86 0.11 -0.95 0.28 120.40 124.20 1pls s VAL 26 Ca 0.31 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1pls s VAL 26 Cb -0.17 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1pls s VAL 26 CO 0.17 0.04 -0.13 0.68 -3.33 0.00 0.00 175.10 172.53 1pls s VAL 27 N 1.32 2.01 -0.29 2.04 -7.23 -1.00 -1.97 120.40 115.28 1pls s VAL 27 Ca -0.09 -1.34 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1pls s VAL 27 Cb -0.08 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 1pls s VAL 27 CO -0.12 0.13 0.79 -1.48 -0.31 0.00 0.00 175.10 174.12 1pls s LEU 28 N 1.22 4.08 0.29 1.32 0.05 0.38 -2.31 118.68 123.70 1pls s LEU 28 Ca -0.04 0.75 0.07 0.00 0.05 0.00 0.00 54.13 54.96 1pls s LEU 28 Cb -0.18 -3.10 -0.03 0.00 -2.05 0.00 0.00 46.19 40.84 1pls s LEU 28 CO -0.08 -0.59 0.27 -0.76 -0.55 0.00 0.00 176.35 174.65 1pls s LEU 29 N 2.92 3.79 0.00 1.48 1.02 0.08 -2.42 118.68 125.56 1pls s LEU 29 Ca 0.33 -0.31 0.20 0.00 0.02 0.00 0.00 54.13 54.37 1pls s LEU 29 Cb -0.14 -2.38 0.96 0.00 0.02 0.00 0.00 46.19 44.65 1pls s LEU 29 CO 0.11 -0.19 1.65 -1.84 0.02 0.00 0.00 176.35 176.10 1pls n GLU 30 N -1.31 0.18 -0.01 1.70 0.28 -1.26 -2.48 120.64 117.74 1pls n GLU 30 Ca -0.05 0.12 0.03 0.00 -0.16 0.00 0.00 57.16 57.10 1pls n GLU 30 Cb 0.58 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.98 1pls n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pls n ASP 31 N -1.37 1.58 0.00 -1.84 -0.08 -1.26 -4.63 116.55 108.94 1pls n ASP 31 Ca 0.08 -1.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1pls n ASP 31 Cb 0.19 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pls n GLY 32 N 0.31 2.84 3.36 0.27 0.00 -1.03 -4.43 105.19 106.50 1pls n GLY 32 Ca 0.04 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 3.23 -0.21 -0.61 -1.09 -0.58 -0.74 121.20 119.20 1pls s ILE 33 Ca 0.00 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1pls s ILE 33 Cb 0.00 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.53 1pls s ILE 33 CO 0.00 0.49 -0.07 -1.83 -1.23 0.00 0.00 174.94 172.30 1pls s GLU 34 N 0.74 1.73 0.03 2.79 -1.05 -0.98 -1.05 118.70 120.91 1pls s GLU 34 Ca -0.04 -0.88 0.08 0.00 -0.15 0.00 0.00 54.97 53.98 1pls s GLU 34 Cb -0.15 -2.45 -0.03 0.00 -0.44 0.00 0.00 34.13 31.06 1pls s GLU 34 CO 0.02 -0.52 -0.23 -0.59 0.95 0.00 0.00 175.26 174.89 1pls s PHE 35 N 1.43 2.43 0.00 4.83 -0.12 -1.02 -2.36 117.98 123.17 1pls s PHE 35 Ca -0.03 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1pls s PHE 35 Cb -0.18 -1.45 0.00 0.00 -0.63 0.00 0.00 43.02 40.76 1pls s PHE 35 CO -0.07 0.15 0.00 0.66 -0.05 0.00 0.00 175.22 175.91 1pls n TYR 36 N 1.83 0.00 -0.13 3.49 4.01 0.14 -2.28 117.16 124.23 1pls n TYR 36 Ca -0.17 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.30 1pls n TYR 36 Cb 0.52 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.59 -2.67 -0.72 0.00 -1.26 -0.80 118.16 113.29 1pls n LYS 37 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 58.31 58.51 1pls n LYS 37 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 35.03 33.48 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pls n LYS 38 N -4.25 0.93 0.23 1.64 5.02 -1.26 -0.63 118.16 119.83 1pls n LYS 38 Ca -0.48 -2.01 0.15 0.00 -2.02 0.00 0.00 58.31 53.95 1pls n LYS 38 Cb 0.84 0.11 0.61 0.00 -0.02 0.00 0.00 35.03 36.57 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 -3.36 116.57 116.88 1pls h LYS 39 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1pls h LYS 39 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1pls h LYS 39 CO 0.30 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.91 1pls n SER 40 N -3.04 -0.28 -0.15 4.20 7.64 -1.26 -4.98 113.62 115.75 1pls n SER 40 Ca 0.03 0.10 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1pls n SER 40 Cb 0.66 0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.64 -5.70 -1.66 6.43 2.03 -1.26 -2.85 116.55 110.91 1pls n ASP 41 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1pls n ASP 41 Cb 0.00 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 36.90 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 -0.87 -0.45 -3.46 1.67 3.02 -1.26 -4.76 115.26 109.15 1pls n ASN 42 Ca -0.02 0.22 0.01 0.00 -0.03 0.00 0.00 54.58 54.76 1pls n ASN 42 Cb 0.50 -0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pls s SER 43 N -1.43 -0.82 0.44 6.41 0.15 -1.13 -5.15 113.70 112.17 1pls s SER 43 Ca 0.00 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.48 1pls s SER 43 Cb 0.00 1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 66.13 1pls s SER 43 CO 0.00 -0.16 1.05 -2.16 1.20 0.00 0.00 173.24 173.18 1pls s PRO 44 N 2.66 3.96 -0.18 5.44 0.04 -1.26 -4.57 135.00 141.08 1pls s PRO 44 Ca -0.02 1.46 0.16 0.00 0.04 0.00 0.00 61.00 62.64 1pls s PRO 44 Cb -0.09 -2.32 -0.23 0.00 0.04 0.00 0.00 34.50 31.90 1pls s PRO 44 CO -0.18 -0.31 0.06 1.17 0.04 0.00 0.00 177.00 177.78 1pls n LYS 45 N -0.52 0.95 -3.63 4.56 3.00 -0.97 -4.99 118.16 116.57 1pls n LYS 45 Ca 0.07 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.31 58.35 1pls n LYS 45 Cb 0.51 -1.48 -0.04 0.00 0.00 0.00 0.00 35.03 34.02 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pls s GLY 46 N -5.31 -0.03 -0.01 3.14 0.00 -1.21 -5.05 107.32 98.85 1pls s GLY 46 Ca -0.10 2.48 0.02 0.00 0.00 0.00 0.00 44.72 47.12 1pls s GLY 46 CO 0.76 0.96 -0.06 1.06 0.00 0.00 0.00 173.10 175.82 1pls s MET 47 N -1.35 0.54 -0.14 2.90 -1.94 -1.26 -2.44 119.30 115.60 1pls s MET 47 Ca 0.08 -0.20 -0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1pls s MET 47 Cb -0.01 -0.53 -0.04 0.00 2.01 0.00 0.00 34.83 36.27 1pls s MET 47 CO -0.06 0.11 0.05 0.42 -0.01 0.00 0.00 175.02 175.52 1pls s ILE 48 N -0.01 4.68 0.29 2.53 1.01 -0.21 -4.93 121.20 124.56 1pls s ILE 48 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 1pls s ILE 48 Cb -0.04 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 1pls s ILE 48 CO -0.00 0.53 1.37 -2.16 0.00 0.00 0.00 174.94 174.68 1pls s PRO 49 N -0.18 4.31 0.00 2.79 0.04 -1.26 -1.52 135.00 139.17 1pls s PRO 49 Ca 0.07 2.26 0.28 0.00 0.04 0.00 0.00 61.00 63.65 1pls s PRO 49 Cb -0.12 -3.09 1.08 0.00 0.04 0.00 0.00 34.50 32.41 1pls s PRO 49 CO 0.01 -0.31 1.78 -0.11 0.04 0.00 0.00 177.00 178.42 1pls n LEU 50 N 1.55 0.45 -2.55 -3.56 7.94 -1.26 -2.79 117.00 116.77 1pls n LEU 50 Ca 0.03 0.06 -0.31 0.00 -1.11 0.00 0.00 56.01 54.68 1pls n LEU 50 Cb 0.41 -0.23 0.02 0.00 0.53 0.00 0.00 43.42 44.15 1pls n LEU 50 CO 0.60 0.09 0.67 2.29 -1.11 0.00 0.00 177.39 179.93 1pls n LYS 51 N -1.09 3.21 0.00 1.96 2.85 -1.26 -4.38 118.16 119.44 1pls n LYS 51 Ca 0.12 -4.10 0.00 0.00 -1.05 0.00 0.00 58.31 53.28 1pls n LYS 51 Cb 0.30 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.42 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pls n GLY 52 N -0.55 0.49 3.11 2.58 0.00 -1.25 -4.90 105.19 104.66 1pls n GLY 52 Ca 0.46 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 1pls n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 53 N 0.00 -4.94 -4.52 1.61 2.88 -1.12 -1.45 113.62 106.08 1pls n SER 53 Ca 0.00 0.29 -0.24 0.00 -1.33 0.00 0.00 58.87 57.59 1pls n SER 53 Cb 0.00 -0.86 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 1pls n SER 53 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pls s THR 54 N -2.05 1.50 0.06 2.46 -1.32 0.21 -4.54 115.64 111.96 1pls s THR 54 Ca 0.46 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.99 1pls s THR 54 Cb -0.24 -2.87 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 1pls s THR 54 CO 0.77 0.00 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.83 1pls s LEU 55 N -3.58 2.24 -0.07 9.08 1.98 -1.26 -2.36 118.68 124.70 1pls s LEU 55 Ca 0.36 -0.55 -0.06 0.00 -2.89 0.00 0.00 54.13 50.98 1pls s LEU 55 Cb 0.09 -0.51 0.02 0.00 0.66 0.00 0.00 46.19 46.45 1pls s LEU 55 CO 0.16 -0.05 0.19 -0.89 -1.89 0.00 0.00 176.35 173.87 1pls s THR 56 N -1.13 -0.01 -0.04 3.68 2.01 0.32 -4.91 115.64 115.56 1pls s THR 56 Ca -0.01 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1pls s THR 56 Cb -0.09 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.17 1pls s THR 56 CO 0.02 0.02 0.04 -0.55 -0.69 0.00 0.00 174.62 173.45 1pls s SER 57 N 0.40 0.97 0.00 3.53 0.15 -1.26 -1.80 113.70 115.69 1pls s SER 57 Ca -0.03 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1pls s SER 57 Cb -0.04 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1pls s SER 57 CO -0.02 -0.20 0.00 -0.81 1.20 0.00 0.00 173.24 173.41 1pls n PRO 58 N 4.96 0.00 0.00 5.44 -0.04 -1.26 -5.07 135.00 139.02 1pls n PRO 58 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1pls n PRO 58 Cb 0.50 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 2.41 -0.21 0.00 1.13 -1.26 -4.89 117.38 114.55 1pls n GLN 60 Ca 0.00 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 1pls n GLN 60 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.45 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pls n ASP 61 N 0.00 2.03 0.03 1.08 2.03 -1.26 -2.73 116.55 117.73 1pls n ASP 61 Ca 0.00 -2.20 -0.01 0.00 0.52 0.00 0.00 54.79 53.09 1pls n ASP 61 Cb 0.00 -0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 39.83 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 1.02 0.00 0.00 -0.67 3.04 -2.01 -3.40 116.94 114.92 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 0.79 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1pls h PHE 62 CO 0.26 0.64 -0.09 0.41 -2.02 0.00 0.00 178.31 177.50 1pls n GLY 63 N 1.40 -1.57 3.52 2.40 0.00 -1.24 -5.05 105.19 104.66 1pls n GLY 63 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 0.47 0.00 1.61 4.81 -1.11 -3.77 118.16 120.17 1pls n LYS 64 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1pls n LYS 64 Cb 0.54 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 8.70 0.00 0.00 1.64 5.12 -1.26 -5.06 116.66 125.80 1pls n ARG 65 Ca 0.53 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1pls n ARG 65 Cb 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1pls n MET 66 N 0.00 2.95 -3.40 5.56 2.81 -1.25 -4.82 117.12 118.97 1pls n MET 66 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 1pls n MET 66 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 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 3.85 -4.18 2.03 3.01 -1.26 -5.01 117.46 115.90 1pls n PHE 67 Ca 0.00 -3.71 -0.34 0.00 1.01 0.00 0.00 57.45 54.41 1pls n PHE 67 Cb 0.00 -1.19 -0.14 0.00 -0.01 0.00 0.00 39.48 38.14 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pls s VAL 68 N -1.89 3.08 0.40 -4.37 0.11 -1.26 -2.31 120.40 114.17 1pls s VAL 68 Ca 0.31 -0.61 0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1pls s VAL 68 Cb -0.01 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1pls s VAL 68 CO -0.04 0.47 0.38 0.72 -3.33 0.00 0.00 175.10 173.30 1pls s PHE 69 N 1.13 2.77 -0.04 1.54 -0.71 -0.87 -2.53 117.98 119.27 1pls s PHE 69 Ca 0.01 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.49 1pls s PHE 69 Cb -0.14 -2.12 0.00 0.00 -1.21 0.00 0.00 43.02 39.55 1pls s PHE 69 CO -0.02 -0.09 -0.14 0.21 -1.34 0.00 0.00 175.22 173.84 1pls s LYS 70 N -4.13 1.48 0.35 1.99 2.20 -0.75 -2.40 119.74 118.47 1pls s LYS 70 Ca 0.47 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.66 1pls s LYS 70 Cb -0.05 -1.30 -0.07 0.00 -1.51 0.00 0.00 37.83 34.91 1pls s LYS 70 CO 0.28 0.17 0.02 0.42 -0.36 0.00 0.00 175.35 175.89 1pls s ILE 71 N 0.16 1.54 -0.21 5.43 1.01 -0.76 0.12 121.20 128.48 1pls s ILE 71 Ca -0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 60.65 58.55 1pls s ILE 71 Cb -0.11 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.66 1pls s ILE 71 CO 0.02 -0.05 0.29 -0.89 0.00 0.00 0.00 174.94 174.31 1pls s THR 72 N -3.05 -0.45 -0.17 2.92 2.01 -1.00 -1.01 115.64 114.90 1pls s THR 72 Ca 0.35 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1pls s THR 72 Cb 0.08 -0.71 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1pls s THR 72 CO 0.16 -0.14 2.13 1.07 -0.69 0.00 0.00 174.62 177.14 1pls n THR 73 N 5.34 0.44 -1.69 -0.82 5.66 -0.87 0.66 114.28 123.00 1pls n THR 73 Ca -0.05 -0.32 -0.01 0.00 -3.05 0.00 0.00 64.05 60.62 1pls n THR 73 Cb 0.50 -2.30 -0.00 0.00 -1.55 0.00 0.00 70.33 66.97 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1pls n THR 74 N 6.90 -0.02 -2.05 1.09 5.66 -0.53 0.63 114.28 125.96 1pls n THR 74 Ca 0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1pls n THR 74 Cb 0.39 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.72 0.00 0.00 1.09 3.00 -1.04 -4.92 118.16 114.58 1pls n LYS 75 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1pls n LYS 75 Cb 0.24 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 32.99 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1pls n GLN 76 N -0.69 0.00 -3.58 1.64 6.02 0.20 -5.09 117.38 115.89 1pls n GLN 76 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1pls n GLN 76 Cb 0.46 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.66 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1pls s GLN 77 N 0.00 3.74 -0.32 -1.09 0.74 -1.26 -4.86 119.66 116.61 1pls s GLN 77 Ca 0.00 0.14 -0.13 0.00 0.05 0.00 0.00 55.36 55.42 1pls s GLN 77 Cb 0.00 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 1pls s GLN 77 CO 0.00 0.53 0.24 -0.51 -0.55 0.00 0.00 175.29 175.00 1pls s ASP 78 N -1.91 6.06 -0.47 6.67 1.01 -1.26 -2.06 116.67 124.72 1pls s ASP 78 Ca 0.35 -0.29 -0.14 0.00 0.71 0.00 0.00 52.55 53.18 1pls s ASP 78 Cb -0.13 -2.14 0.09 0.00 1.01 0.00 0.00 42.92 41.74 1pls s ASP 78 CO 0.19 -0.20 0.37 -1.00 0.21 0.00 0.00 175.17 174.75 1pls s HIS 79 N 1.76 3.28 -0.20 4.23 3.76 -0.18 -4.87 115.29 123.08 1pls s HIS 79 Ca 0.07 -1.19 -0.09 0.00 -0.15 0.00 0.00 55.06 53.69 1pls s HIS 79 Cb -0.17 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 1pls s HIS 79 CO 0.11 -0.86 0.11 -0.06 -0.85 0.00 0.00 174.74 173.19 1pls s PHE 80 N 1.56 3.34 -0.00 1.40 0.40 -1.26 -1.83 117.98 121.59 1pls s PHE 80 Ca 0.04 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1pls s PHE 80 Cb -0.25 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.13 1pls s PHE 80 CO 0.04 0.21 0.06 -0.59 0.70 0.00 0.00 175.22 175.64 1pls s PHE 81 N 0.46 0.07 -0.09 0.36 -0.12 -1.01 -1.69 117.98 115.96 1pls s PHE 81 Ca 0.06 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 1pls s PHE 81 Cb -0.12 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1pls s PHE 81 CO -0.01 -0.17 0.06 -1.14 -0.05 0.00 0.00 175.22 173.91 1pls s GLN 82 N -0.91 3.15 0.00 1.99 0.74 -0.59 -2.04 119.66 121.99 1pls s GLN 82 Ca -0.10 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.00 1pls s GLN 82 Cb -0.06 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 31.11 1pls s GLN 82 CO 0.00 0.73 0.00 0.00 -0.55 0.00 0.00 175.29 175.47 1pls n ALA 83 N 2.03 0.00 -1.00 1.58 0.00 -0.98 -2.33 120.51 119.81 1pls n ALA 83 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1pls n ALA 83 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.07 0.00 0.00 -1.26 -4.72 120.51 109.47 1pls n ALA 84 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1pls n ALA 84 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 2.48 0.09 0.00 -0.71 -1.26 -4.68 117.98 113.91 1pls s PHE 85 Ca 0.00 -0.49 -0.34 0.00 -1.04 0.00 0.00 56.93 55.06 1pls s PHE 85 Cb 0.00 -2.29 -0.15 0.00 -1.21 0.00 0.00 43.02 39.37 1pls s PHE 85 CO 0.00 -0.51 1.58 1.25 -1.34 0.00 0.00 175.22 176.21 1pls h LEU 86 N 0.63 -1.22 0.00 -1.99 6.46 -1.99 -1.40 115.31 115.80 1pls h LEU 86 Ca -0.38 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1pls h LEU 86 Cb 1.28 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 1pls h LEU 86 CO 0.47 -0.58 0.00 1.21 -0.62 0.00 0.00 178.44 178.91 1pls n GLU 87 N -5.52 0.00 -0.37 1.25 2.13 -1.26 -1.03 120.64 115.84 1pls n GLU 87 Ca -0.11 0.60 0.33 0.00 0.66 0.00 0.00 57.16 58.65 1pls n GLU 87 Cb 0.42 -1.26 0.60 0.00 0.27 0.00 0.00 31.44 31.47 1pls n GLU 87 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1pls h GLU 88 N 0.00 0.05 0.79 5.31 4.81 -1.97 -0.01 114.58 123.56 1pls h GLU 88 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pls h GLU 88 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1pls h GLU 88 CO 0.00 0.03 -0.43 -0.09 -0.73 0.00 0.00 179.01 177.79 1pls h ARG 89 N 0.05 -1.08 -0.37 1.92 1.12 0.09 -0.81 114.38 115.29 1pls h ARG 89 Ca 0.84 0.07 0.08 0.00 -1.11 0.00 0.00 59.98 59.86 1pls h ARG 89 Cb 2.34 0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 32.53 1pls h ARG 89 CO -0.65 -0.72 0.26 -0.44 -3.11 0.00 0.00 179.97 175.31 1pls h ASP 90 N -1.12 0.14 0.40 -3.80 3.32 -0.04 -0.42 116.42 114.90 1pls h ASP 90 Ca -0.11 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 1pls h ASP 90 Cb 0.88 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1pls h ASP 90 CO 0.14 0.09 -0.54 0.00 -1.72 0.00 0.00 179.24 177.21 1pls h ALA 91 N 1.81 0.99 0.01 3.45 0.00 -0.91 -0.66 119.26 123.95 1pls h ALA 91 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1pls h ALA 91 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pls h ALA 91 CO -0.02 0.68 -0.49 -1.49 0.00 0.00 0.00 179.25 177.92 1pls h TRP 92 N 0.12 0.47 0.00 0.00 4.06 0.37 -2.22 115.95 118.75 1pls h TRP 92 Ca -0.00 -0.27 -0.03 0.00 2.06 0.00 0.00 58.89 60.65 1pls h TRP 92 Cb 0.99 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1pls h TRP 92 CO 0.01 1.09 -0.15 -0.24 -3.56 0.00 0.00 178.44 175.60 1pls h VAL 93 N -0.28 0.42 0.17 1.49 3.04 -1.33 -1.75 116.25 118.00 1pls h VAL 93 Ca -0.07 -0.84 -0.31 0.00 -1.01 0.00 0.00 66.70 64.48 1pls h VAL 93 Cb 1.24 1.60 0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1pls h VAL 93 CO 0.10 0.15 -1.42 0.03 -1.01 0.00 0.00 177.57 175.41 1pls h ARG 94 N 0.00 0.36 0.07 4.17 2.47 -1.11 -2.58 114.38 117.76 1pls h ARG 94 Ca -0.00 -0.61 -0.28 0.00 -1.26 0.00 0.00 59.98 57.82 1pls h ARG 94 Cb 0.59 0.23 0.02 0.00 -1.65 0.00 0.00 29.97 29.16 1pls h ARG 94 CO 0.02 1.27 -1.16 0.22 0.56 0.00 0.00 179.97 180.88 1pls h ASP 95 N 0.10 0.86 -0.12 7.04 1.82 -1.23 0.06 116.42 124.94 1pls h ASP 95 Ca -0.21 -0.75 -0.06 0.00 -0.39 0.00 0.00 57.03 55.61 1pls h ASP 95 Cb 2.05 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 41.79 1pls h ASP 95 CO 0.21 1.56 -0.18 0.40 -1.61 0.00 0.00 179.24 179.63 1pls h ILE 96 N 0.31 1.37 -0.01 2.25 2.04 -1.45 -1.03 117.51 120.99 1pls h ILE 96 Ca -0.16 -1.40 -0.15 0.00 1.00 0.00 0.00 64.86 64.15 1pls h ILE 96 Cb 1.82 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.88 1pls h ILE 96 CO 0.22 0.41 -0.71 -1.13 0.00 0.00 0.00 178.15 176.94 1pls h ASN 97 N -0.07 0.05 0.19 1.72 -0.73 -1.56 -2.19 115.58 112.99 1pls h ASN 97 Ca 0.01 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 57.98 1pls h ASN 97 Cb 0.74 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1pls h ASN 97 CO 0.04 0.74 -0.62 0.50 -0.37 0.00 0.00 177.43 177.72 1pls h LYS 98 N 0.03 0.42 0.00 6.67 3.64 -0.95 -1.47 116.57 124.91 1pls h LYS 98 Ca -0.01 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1pls h LYS 98 Cb 1.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1pls h LYS 98 CO 0.10 0.91 -0.26 0.00 -2.27 0.00 0.00 179.45 177.92 1pls h ALA 99 N 1.02 0.87 0.16 5.00 0.00 -1.10 -1.44 119.26 123.76 1pls h ALA 99 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 1pls h ALA 99 Cb 1.16 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pls h ALA 99 CO 0.11 0.33 -1.42 0.82 0.00 0.00 0.00 179.25 179.08 1pls h ILE 100 N 0.00 1.30 0.00 0.00 2.04 -1.18 -1.02 117.51 118.65 1pls h ILE 100 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1pls h ILE 100 Cb 1.08 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1pls h ILE 100 CO 0.03 0.85 -0.32 0.29 0.00 0.00 0.00 178.15 179.00 1pls n LYS 101 N -3.55 0.27 -0.07 2.37 4.76 -0.57 -3.36 118.16 118.02 1pls n LYS 101 Ca -0.14 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 1pls n LYS 101 Cb 1.05 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 32.36 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls h ILE 103 N 0.01 0.00 0.00 0.00 6.09 -1.27 -2.59 117.51 119.76 1pls h ILE 103 Ca -0.46 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 1pls h ILE 103 Cb 2.09 1.17 0.00 0.00 0.47 0.00 0.00 36.82 40.55 1pls h ILE 103 CO 0.03 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.49 1pls n GLU 104 N -2.33 0.15 0.00 2.19 -0.58 -1.21 -2.49 120.64 116.37 1pls n GLU 104 Ca 0.03 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1pls n GLU 104 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pls n GLY 105 N 0.42 1.18 2.79 0.62 0.00 -0.98 -4.81 105.19 104.41 1pls n GLY 105 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.35 5.72 0.31 0.99 7.99 -1.04 -4.86 117.00 125.77 1pls n LEU 106 Ca 0.00 -5.53 -0.12 0.00 -0.01 0.00 0.00 56.01 50.34 1pls n LEU 106 Cb 0.32 -0.85 -0.06 0.00 -0.11 0.00 0.00 43.42 42.72 1pls n LEU 106 CO 0.00 2.19 0.48 -0.33 -1.51 0.00 0.00 177.39 178.22 1pls h GLU 107 N 3.66 -0.77 -2.04 3.23 5.08 -1.87 -3.46 114.58 118.40 1pls h GLU 107 Ca 0.30 0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 58.36 1pls h GLU 107 Cb 0.44 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1pls h GLU 107 CO 0.99 -0.52 -0.42 1.58 -1.00 0.00 0.00 179.01 179.65 1pls n HIS 108 N -4.30 -0.60 -2.03 4.33 -0.00 -1.26 -4.74 115.22 106.61 1pls n HIS 108 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1pls n HIS 108 Cb 0.32 -3.36 0.00 0.00 -0.12 0.00 0.00 29.99 26.82 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 109 N -3.60 -0.19 -2.54 1.57 -0.00 -1.26 -4.38 115.22 104.82 1pls n HIS 109 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.54 1pls n HIS 109 Cb 0.64 0.06 0.02 0.00 -0.00 0.00 0.00 29.99 30.71 1pls n HIS 109 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1pls n HIS 110 N 0.00 0.22 -3.32 4.41 1.44 -1.26 -5.13 115.22 111.59 1pls n HIS 110 Ca 0.00 -0.87 0.02 0.00 -2.01 0.00 0.00 57.72 54.86 1pls n HIS 110 Cb 0.00 -0.09 -0.00 0.00 0.12 0.00 0.00 29.99 30.02 1pls n HIS 110 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1pls n HIS 111 N 0.19 -1.71 0.17 -1.40 -0.00 -1.26 -3.58 115.22 107.63 1pls n HIS 111 Ca 0.03 0.18 0.16 0.00 0.46 0.00 0.00 57.72 58.56 1pls n HIS 111 Cb 1.04 -0.26 0.77 0.00 -0.12 0.00 0.00 29.99 31.43 1pls n HIS 111 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pls h HIS 112 N -0.14 0.00 0.00 1.57 3.86 -2.00 -3.55 115.15 114.89 1pls h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pls h HIS 112 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1pls h HIS 112 CO 0.00 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.37