#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c34 s SER -1 N 0.00 0.11 -0.24 1.61 0.15 -1.26 -5.14 113.70 108.93 2c34 s SER -1 Ca 0.00 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 2c34 s SER -1 Cb 0.00 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 2c34 s SER -1 CO 0.00 -0.15 -0.07 -1.00 1.20 0.00 0.00 173.24 173.21 2c34 s HIS 0 N -0.73 3.05 0.00 3.44 0.09 -1.26 -4.79 115.29 115.09 2c34 s HIS 0 Ca -0.08 -1.60 0.00 0.00 -0.00 0.00 0.00 55.06 53.38 2c34 s HIS 0 Cb -0.05 -2.04 0.00 0.00 -0.00 0.00 0.00 32.58 30.49 2c34 s HIS 0 CO -0.00 -0.74 0.00 -1.33 -0.00 0.00 0.00 174.74 172.66 2c34 n MET 1 N 4.65 2.62 -1.23 1.40 2.81 -1.26 -5.01 117.12 121.11 2c34 n MET 1 Ca -0.17 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.64 2c34 n MET 1 Cb 0.47 -0.65 -0.04 0.00 -0.71 0.00 0.00 33.22 32.29 2c34 n MET 1 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2c34 n ILE 2 N -0.73 0.00 -4.12 2.02 5.41 -1.26 -4.93 119.36 115.75 2c34 n ILE 2 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 2c34 n ILE 2 Cb 0.08 -1.37 -0.11 0.00 -0.71 0.00 0.00 39.64 37.53 2c34 n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2c34 s ALA 3 N -1.71 0.87 0.47 -1.39 0.00 -1.26 -5.13 121.76 113.61 2c34 s ALA 3 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 2c34 s ALA 3 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 2c34 s ALA 3 CO 0.00 0.00 1.09 -2.30 0.00 0.00 0.00 175.76 174.56 2c34 n PRO 4 N 1.09 1.43 0.05 0.00 -0.02 -1.26 -4.96 135.00 131.32 2c34 n PRO 4 Ca -0.20 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2c34 n PRO 4 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2c34 n PRO 4 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2c34 n LEU 5 N 0.02 0.51 -4.92 2.45 7.94 -1.26 -5.10 117.00 116.64 2c34 n LEU 5 Ca 0.10 0.15 -0.27 0.00 -1.11 0.00 0.00 56.01 54.87 2c34 n LEU 5 Cb 0.42 -0.09 0.09 0.00 0.53 0.00 0.00 43.42 44.36 2c34 n LEU 5 CO 0.55 -0.67 0.70 -0.55 -1.11 0.00 0.00 177.39 176.31 2c34 s SER 6 N -5.39 4.51 -0.64 1.96 0.15 -1.26 -4.96 113.70 108.07 2c34 s SER 6 Ca 0.00 0.52 -0.27 0.00 0.70 0.00 0.00 55.95 56.91 2c34 s SER 6 Cb 0.00 -1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2c34 s SER 6 CO 0.00 -1.84 1.72 -0.69 1.20 0.00 0.00 173.24 173.63 2c34 s VAL 7 N -3.43 3.45 -0.24 4.45 1.01 -1.26 -4.91 120.40 119.47 2c34 s VAL 7 Ca 0.62 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2c34 s VAL 7 Cb -0.10 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.19 2c34 s VAL 7 CO 0.47 -1.12 0.57 -1.59 0.00 0.00 0.00 175.10 173.42 2c34 s LYS 8 N 6.69 0.55 -0.26 2.72 0.00 -1.26 -5.14 119.74 123.04 2c34 s LYS 8 Ca 0.60 1.10 -0.01 0.00 0.00 0.00 0.00 55.97 57.66 2c34 s LYS 8 Cb -0.12 0.21 0.04 0.00 0.00 0.00 0.00 37.83 37.96 2c34 s LYS 8 CO 0.20 -0.17 -0.05 0.34 0.00 0.00 0.00 175.35 175.67 2c34 s ASP 9 N 1.84 4.48 0.00 0.03 -1.08 -1.26 -4.98 116.67 115.70 2c34 s ASP 9 Ca -0.08 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 2c34 s ASP 9 Cb -0.08 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 2c34 s ASP 9 CO -0.17 -0.17 0.00 -0.46 0.52 0.00 0.00 175.17 174.89 2c34 n ASN 10 N 4.63 0.00 -1.11 -0.34 6.94 -1.26 -5.03 115.26 119.09 2c34 n ASN 10 Ca -0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.26 2c34 n ASN 10 Cb 0.45 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.84 2c34 n ASN 10 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2c34 n ASP 11 N -0.34 0.16 -4.21 0.53 5.68 -1.24 -4.50 116.55 112.64 2c34 n ASP 11 Ca 0.00 0.14 -0.41 0.00 -0.50 0.00 0.00 54.79 54.02 2c34 n ASP 11 Cb 0.00 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 39.67 2c34 n ASP 11 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2c34 s LYS 12 N 1.74 2.64 -0.55 0.11 2.20 0.79 -4.90 119.74 121.76 2c34 s LYS 12 Ca 0.32 -1.98 -0.25 0.00 -0.36 0.00 0.00 55.97 53.70 2c34 s LYS 12 Cb -0.37 -3.96 0.04 0.00 -1.51 0.00 0.00 37.83 32.02 2c34 s LYS 12 CO 0.16 -1.21 0.98 -1.58 -0.36 0.00 0.00 175.35 173.35 2c34 s TRP 13 N 0.99 2.77 0.33 4.03 0.52 -1.26 0.04 118.94 126.34 2c34 s TRP 13 Ca 0.09 0.08 -0.06 0.00 0.02 0.00 0.00 56.10 56.23 2c34 s TRP 13 Cb -0.23 -4.14 0.02 0.00 -1.15 0.00 0.00 33.47 27.97 2c34 s TRP 13 CO -0.02 -1.38 0.53 1.55 0.02 0.00 0.00 176.95 177.65 2c34 n VAL 14 N 6.29 0.00 -3.35 4.03 3.14 -0.90 -4.96 118.33 122.58 2c34 n VAL 14 Ca 0.03 -1.31 -0.22 0.00 -2.96 0.00 0.00 64.34 59.88 2c34 n VAL 14 Cb 0.48 0.93 0.04 0.00 -1.06 0.00 0.00 33.84 34.24 2c34 n VAL 14 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2c34 n ASP 15 N -1.60 2.36 -1.51 6.55 9.92 -1.26 -0.44 116.55 130.57 2c34 n ASP 15 Ca -0.03 -2.67 0.01 0.00 -0.53 0.00 0.00 54.79 51.57 2c34 n ASP 15 Cb 0.52 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2c34 n ASP 15 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2c34 n THR 16 N -2.10 0.00 -4.62 -3.53 5.66 -1.25 -4.57 114.28 103.86 2c34 n THR 16 Ca 0.10 -0.02 -0.28 0.00 -3.05 0.00 0.00 64.05 60.80 2c34 n THR 16 Cb 0.61 0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.39 2c34 n THR 16 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2c34 s HIS 17 N -2.67 2.17 0.30 1.09 3.76 -1.26 -0.44 115.29 118.24 2c34 s HIS 17 Ca 0.05 -0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 53.82 2c34 s HIS 17 Cb -0.00 -1.59 -0.10 0.00 1.11 0.00 0.00 32.58 32.00 2c34 s HIS 17 CO -0.00 0.25 1.32 0.54 -0.85 0.00 0.00 174.74 175.99 2c34 s VAL 18 N -2.90 2.80 -0.33 -0.90 0.11 -1.26 -2.70 120.40 115.22 2c34 s VAL 18 Ca 0.26 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 2c34 s VAL 18 Cb 0.07 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2c34 s VAL 18 CO 0.13 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 2c34 n GLY 19 N 1.19 0.35 3.57 6.54 0.00 -0.41 -4.84 105.19 111.59 2c34 n GLY 19 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2c34 n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2c34 s LYS 20 N -2.09 1.22 -0.58 1.61 2.47 -1.10 -4.65 119.74 116.62 2c34 s LYS 20 Ca 0.00 -0.14 -0.26 0.00 -1.56 0.00 0.00 55.97 54.00 2c34 s LYS 20 Cb 0.00 -4.91 -0.10 0.00 -1.46 0.00 0.00 37.83 31.36 2c34 s LYS 20 CO 0.00 -5.30 2.45 2.41 0.16 0.00 0.00 175.35 175.07 2c34 n THR 21 N 9.04 -0.07 -3.20 3.43 -1.04 -1.25 -4.42 114.28 116.76 2c34 n THR 21 Ca 0.43 -0.69 -0.45 0.00 -2.04 0.00 0.00 64.05 61.30 2c34 n THR 21 Cb 0.46 -2.46 -0.05 0.00 -1.82 0.00 0.00 70.33 66.46 2c34 n THR 21 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2c34 s THR 22 N 11.97 4.99 0.05 12.58 2.01 -0.96 -4.85 115.64 141.44 2c34 s THR 22 Ca 1.03 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 2c34 s THR 22 Cb -0.30 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.75 2c34 s THR 22 CO 0.28 -0.98 0.83 -0.70 -0.69 0.00 0.00 174.62 173.36 2c34 s GLU 23 N 2.22 4.55 -0.23 4.92 2.12 -1.22 -2.42 118.70 128.63 2c34 s GLU 23 Ca 0.08 1.18 -0.04 0.00 0.36 0.00 0.00 54.97 56.55 2c34 s GLU 23 Cb -0.26 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 30.83 2c34 s GLU 23 CO 0.05 0.22 0.11 0.42 -0.54 0.00 0.00 175.26 175.52 2c34 s ILE 24 N 0.11 -0.06 -0.37 -3.70 1.01 -0.48 -4.92 121.20 112.79 2c34 s ILE 24 Ca 0.42 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 2c34 s ILE 24 Cb -0.21 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2c34 s ILE 24 CO 0.25 -0.50 0.72 -1.00 0.00 0.00 0.00 174.94 174.41 2c34 s HIS 25 N 2.11 3.11 0.05 3.97 3.76 -1.26 -1.96 115.29 125.08 2c34 s HIS 25 Ca 0.05 0.41 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 2c34 s HIS 25 Cb -0.16 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 2c34 s HIS 25 CO -0.22 -0.72 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.41 2c34 s LEU 26 N 2.96 3.36 0.26 0.89 1.43 -0.39 -4.88 118.68 122.31 2c34 s LEU 26 Ca 0.28 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 2c34 s LEU 26 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2c34 s LEU 26 CO 0.17 0.23 0.37 -0.54 0.23 0.00 0.00 176.35 176.80 2c34 s LYS 27 N -1.91 3.31 0.00 1.70 1.02 -1.26 -0.47 119.74 122.13 2c34 s LYS 27 Ca 0.22 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2c34 s LYS 27 Cb -0.11 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2c34 s LYS 27 CO 0.13 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 2c34 n GLY 28 N -1.44 -0.57 3.33 -3.33 0.00 -1.24 -4.93 105.19 97.01 2c34 n GLY 28 Ca -0.07 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.24 2c34 n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c34 s ASN 29 N -4.00 -0.47 0.00 1.61 2.47 -1.26 -4.44 114.94 108.85 2c34 s ASN 29 Ca 0.00 0.60 -0.14 0.00 0.42 0.00 0.00 52.86 53.74 2c34 s ASN 29 Cb 0.00 1.52 -0.07 0.00 -1.45 0.00 0.00 41.25 41.24 2c34 s ASN 29 CO 0.00 -0.09 0.84 1.55 -3.72 0.00 0.00 177.10 175.68 2c34 h PRO 30 N 7.46 -0.47 -0.20 0.43 0.13 -1.87 -1.00 132.00 136.49 2c34 h PRO 30 Ca -0.15 0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2c34 h PRO 30 Cb 1.12 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2c34 h PRO 30 CO 0.06 -0.31 0.38 0.00 -0.23 0.00 0.00 178.00 177.90 2c34 h THR 31 N -0.69 0.19 0.00 1.56 1.03 -1.90 -3.01 112.91 110.09 2c34 h THR 31 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 2c34 h THR 31 Cb 0.37 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 2c34 h THR 31 CO 0.08 0.00 -0.06 0.74 -0.01 0.00 0.00 175.52 176.27 2c34 h THR 32 N 0.00 0.00 0.00 0.00 2.02 -1.96 -3.50 112.91 109.48 2c34 h THR 32 Ca 0.09 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2c34 h THR 32 Cb 0.86 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2c34 h THR 32 CO -0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2c34 n GLY 33 N 1.81 0.98 0.57 2.16 0.00 -0.38 -5.10 105.19 105.23 2c34 n GLY 33 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2c34 n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2c34 n TYR 34 N 0.00 -1.14 -4.14 1.61 4.02 -1.25 -4.79 117.16 111.47 2c34 n TYR 34 Ca 0.00 -0.35 -0.29 0.00 -0.01 0.00 0.00 57.90 57.25 2c34 n TYR 34 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.18 2c34 n TYR 34 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2c34 s MET 35 N -2.33 2.54 -0.41 -0.72 -2.45 0.18 -3.93 119.30 112.18 2c34 s MET 35 Ca 0.04 -0.90 -0.06 0.00 -1.25 0.00 0.00 55.69 53.51 2c34 s MET 35 Cb -0.00 -2.51 0.09 0.00 1.25 0.00 0.00 34.83 33.66 2c34 s MET 35 CO 0.02 0.51 0.23 -1.58 1.05 0.00 0.00 175.02 175.26 2c34 s TRP 36 N -1.45 3.42 0.15 4.11 0.52 -1.26 -0.47 118.94 123.96 2c34 s TRP 36 Ca 0.27 -1.90 0.00 0.00 0.02 0.00 0.00 56.10 54.49 2c34 s TRP 36 Cb -0.11 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.17 2c34 s TRP 36 CO 0.19 -0.91 0.19 -2.37 0.02 0.00 0.00 176.95 174.07 2c34 n THR 37 N 4.78 0.00 -2.62 2.01 5.66 -1.00 -4.93 114.28 118.19 2c34 n THR 37 Ca -0.08 -0.80 -0.40 0.00 -3.05 0.00 0.00 64.05 59.72 2c34 n THR 37 Cb 0.42 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.62 2c34 n THR 37 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2c34 s ARG 38 N -2.38 4.71 0.23 1.09 0.52 -1.26 -0.91 118.95 120.95 2c34 s ARG 38 Ca 0.13 1.62 -0.31 0.00 -0.52 0.00 0.00 55.73 56.65 2c34 s ARG 38 Cb -0.00 -3.27 -0.14 0.00 0.52 0.00 0.00 34.95 32.06 2c34 s ARG 38 CO 0.09 0.29 1.38 0.28 0.02 0.00 0.00 175.30 177.36 2c34 n VAL 39 N 1.81 0.96 0.00 3.52 0.31 -0.64 -1.48 118.33 122.80 2c34 n VAL 39 Ca -0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2c34 n VAL 39 Cb 0.46 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2c34 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c34 n GLY 40 N 2.12 1.68 1.25 2.92 0.00 -1.26 -4.67 105.19 107.23 2c34 n GLY 40 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2c34 n GLY 40 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c34 n PHE 41 N 0.00 0.98 -2.57 1.61 3.72 -0.55 -4.85 117.46 115.81 2c34 n PHE 41 Ca 0.00 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.32 2c34 n PHE 41 Cb 0.00 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.13 2c34 n PHE 41 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2c34 s VAL 42 N -1.45 4.04 0.00 -4.37 1.01 -1.17 -3.01 120.40 115.45 2c34 s VAL 42 Ca 0.21 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2c34 s VAL 42 Cb 0.17 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2c34 s VAL 42 CO 0.05 -1.23 0.00 0.61 0.00 0.00 0.00 175.10 174.53 2c34 n GLY 43 N 5.02 2.76 3.58 4.51 0.00 -1.26 -4.92 105.19 114.88 2c34 n GLY 43 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2c34 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c34 s LYS 44 N -0.47 -0.37 0.22 1.61 1.02 -1.16 -4.95 119.74 115.63 2c34 s LYS 44 Ca 0.00 0.61 0.17 0.00 0.02 0.00 0.00 55.97 56.77 2c34 s LYS 44 Cb 0.00 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.70 2c34 s LYS 44 CO 0.00 -3.30 1.23 -0.44 -0.92 0.00 0.00 175.35 171.92 2c34 h ASP 45 N -2.30 0.00 -3.71 2.83 5.19 -1.99 -3.45 116.42 112.99 2c34 h ASP 45 Ca -0.58 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.61 2c34 h ASP 45 Cb 1.34 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.57 2c34 h ASP 45 CO 0.54 0.42 -0.60 0.54 -3.12 0.00 0.00 179.24 177.02 2c34 s VAL 46 N -3.02 -0.01 -0.18 -1.35 0.11 -1.26 -5.06 120.40 109.63 2c34 s VAL 46 Ca 0.02 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 2c34 s VAL 46 Cb 0.08 -0.17 -0.14 0.00 -1.53 0.00 0.00 36.38 34.62 2c34 s VAL 46 CO 0.76 0.01 0.13 -0.07 -3.33 0.00 0.00 175.10 172.60 2c34 h LEU 47 N 6.22 0.00 -9.23 2.54 3.38 -1.86 -3.48 115.31 112.87 2c34 h LEU 47 Ca -0.28 -0.37 -0.28 0.00 0.09 0.00 0.00 57.88 57.04 2c34 h LEU 47 Cb 1.19 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.10 2c34 h LEU 47 CO 0.44 1.19 -0.44 -0.24 0.09 0.00 0.00 178.44 179.49 2c34 n SER 48 N -4.52 -3.00 0.00 -0.43 2.88 -1.24 -4.96 113.62 102.35 2c34 n SER 48 Ca -0.22 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2c34 n SER 48 Cb 0.51 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2c34 n SER 48 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2c34 n ASP 49 N -1.71 0.00 0.00 -3.46 8.00 -1.25 -4.94 116.55 113.19 2c34 n ASP 49 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2c34 n ASP 49 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2c34 n ASP 49 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2c34 n GLU 50 N 0.00 1.31 0.00 -1.24 0.28 -1.26 -4.93 120.64 114.80 2c34 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2c34 n GLU 50 Cb 0.00 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.17 2c34 n GLU 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2c34 n ILE 51 N -1.26 0.00 -3.70 3.84 2.08 -1.26 -4.47 119.36 114.59 2c34 n ILE 51 Ca 0.00 0.85 -0.38 0.00 0.56 0.00 0.00 62.75 63.78 2c34 n ILE 51 Cb 0.20 -1.79 -0.12 0.00 -0.75 0.00 0.00 39.64 37.18 2c34 n ILE 51 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2c34 s LEU 52 N -3.71 3.90 -0.78 1.39 1.43 -1.26 -0.54 118.68 119.11 2c34 s LEU 52 Ca 0.00 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.35 2c34 s LEU 52 Cb 0.00 -1.95 -0.18 0.00 0.03 0.00 0.00 46.19 44.09 2c34 s LEU 52 CO 0.00 -0.16 1.89 -0.62 0.23 0.00 0.00 176.35 177.69 2c34 n GLU 53 N 4.94 1.24 -2.39 1.70 -0.58 0.89 -3.76 120.64 122.69 2c34 n GLU 53 Ca -0.14 -1.87 -0.37 0.00 -0.42 0.00 0.00 57.16 54.35 2c34 n GLU 53 Cb 0.49 -3.11 -0.03 0.00 -0.57 0.00 0.00 31.44 28.23 2c34 n GLU 53 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2c34 s VAL 54 N 7.36 3.85 -1.21 2.62 1.01 -1.25 -1.78 120.40 131.01 2c34 s VAL 54 Ca 0.63 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2c34 s VAL 54 Cb 0.10 -4.86 0.08 0.00 0.00 0.00 0.00 36.38 31.70 2c34 s VAL 54 CO 0.16 -1.64 1.61 -0.69 0.00 0.00 0.00 175.10 174.55 2c34 s VAL 55 N 6.67 4.20 0.06 2.92 1.01 0.23 -3.64 120.40 131.85 2c34 s VAL 55 Ca 0.57 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2c34 s VAL 55 Cb 0.00 -5.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.23 2c34 s VAL 55 CO 0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 175.10 173.18 2c34 s LYS 57 N -2.01 0.12 -0.81 0.00 1.02 0.02 -4.94 119.74 113.14 2c34 s LYS 57 Ca 0.23 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.18 2c34 s LYS 57 Cb -0.12 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.75 2c34 s LYS 57 CO 0.15 -0.23 1.28 -0.47 -0.92 0.00 0.00 175.35 175.16 2c34 s TYR 58 N 1.54 2.42 -0.33 3.18 6.14 -1.26 -2.49 117.35 126.55 2c34 s TYR 58 Ca -0.03 -0.36 -0.21 0.00 0.64 0.00 0.00 57.07 57.11 2c34 s TYR 58 Cb -0.13 -4.59 -0.00 0.00 0.42 0.00 0.00 41.96 37.66 2c34 s TYR 58 CO -0.03 -1.97 0.64 0.99 0.64 0.00 0.00 175.55 175.82 2c34 s THR 59 N 5.23 4.90 0.00 4.34 2.01 -1.06 -4.99 115.64 126.06 2c34 s THR 59 Ca 0.36 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2c34 s THR 59 Cb -0.07 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2c34 s THR 59 CO 0.07 -0.23 0.00 -0.81 -0.69 0.00 0.00 174.62 172.96 2c34 n PRO 60 N 5.99 2.81 -3.57 4.92 -0.04 -1.26 0.85 135.00 144.69 2c34 n PRO 60 Ca -0.01 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 2c34 n PRO 60 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 2c34 n PRO 60 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2c34 s THR 61 N 1.85 5.11 0.05 0.52 2.01 -1.26 -4.41 115.64 119.50 2c34 s THR 61 Ca 0.00 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 2c34 s THR 61 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2c34 s THR 61 CO 0.00 0.51 1.95 -2.84 -0.69 0.00 0.00 174.62 173.56 2c34 s PRO 62 N -1.28 4.14 0.26 4.92 0.02 -1.26 -4.82 135.00 136.98 2c34 s PRO 62 Ca 0.25 2.62 -0.06 0.00 0.02 0.00 0.00 61.00 63.82 2c34 s PRO 62 Cb -0.15 -4.09 -0.06 0.00 0.02 0.00 0.00 34.50 30.22 2c34 s PRO 62 CO 0.13 -0.94 0.54 -1.12 -0.33 0.00 0.00 177.00 175.28 2c34 s SER 63 N 4.23 6.51 -0.03 2.53 0.01 -1.26 -5.01 113.70 120.67 2c34 s SER 63 Ca 0.88 0.77 0.14 0.00 1.31 0.00 0.00 55.95 59.05 2c34 s SER 63 Cb -0.43 -2.17 -0.21 0.00 0.21 0.00 0.00 66.02 63.42 2c34 s SER 63 CO 0.41 -0.14 0.65 -1.20 0.41 0.00 0.00 173.24 173.37 2c34 n SER 64 N -0.61 0.78 0.00 2.44 7.64 -1.26 -4.90 113.62 117.72 2c34 n SER 64 Ca -0.01 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2c34 n SER 64 Cb 0.53 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2c34 n SER 64 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2c34 n THR 65 N -2.97 0.00 -0.32 0.44 -1.04 -1.26 -5.15 114.28 103.97 2c34 n THR 65 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2c34 n THR 65 Cb 1.00 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 2c34 n THR 65 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2c34 n PRO 66 N -2.51 0.20 -0.45 -2.82 -0.02 -1.26 -5.04 135.00 123.09 2c34 n PRO 66 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2c34 n PRO 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2c34 n PRO 66 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2c34 n MET 67 N -0.64 0.00 -4.09 -0.52 1.56 -1.26 -4.80 117.12 107.37 2c34 n MET 67 Ca 0.00 -0.13 -0.33 0.00 -0.27 0.00 0.00 57.70 56.97 2c34 n MET 67 Cb 0.00 -0.07 -0.16 0.00 2.15 0.00 0.00 33.22 35.14 2c34 n MET 67 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2c34 s VAL 68 N 0.00 2.19 0.00 1.12 1.01 -1.26 -4.84 120.40 118.61 2c34 s VAL 68 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2c34 s VAL 68 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2c34 s VAL 68 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2c34 n GLY 69 N 4.57 0.42 0.00 4.51 0.00 -1.26 -5.12 105.19 108.31 2c34 n GLY 69 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2c34 n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c34 n VAL 70 N -0.22 0.00 0.00 1.61 0.24 -1.26 -5.00 118.33 113.70 2c34 n VAL 70 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2c34 n VAL 70 Cb 0.08 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2c34 n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c34 n GLY 71 N 5.00 0.72 0.00 7.63 0.00 -1.26 -4.71 105.19 112.57 2c34 n GLY 71 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2c34 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c34 n GLY 72 N 0.00 1.97 0.00 -0.02 0.00 -1.25 -4.22 105.19 101.68 2c34 n GLY 72 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2c34 n GLY 72 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2c34 n ILE 73 N 0.00 0.00 -3.50 -0.61 -5.35 0.25 -3.65 119.36 106.50 2c34 n ILE 73 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 2c34 n ILE 73 Cb 0.00 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 37.77 2c34 n ILE 73 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2c34 s TYR 74 N -0.98 -0.07 -0.20 4.28 1.51 0.38 -2.58 117.35 119.69 2c34 s TYR 74 Ca 0.00 -0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 55.58 2c34 s TYR 74 Cb 0.00 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 2c34 s TYR 74 CO 0.00 -0.76 0.33 0.54 -1.11 0.00 0.00 175.55 174.55 2c34 s VAL 75 N 2.24 5.25 -0.15 0.71 0.11 -1.04 -1.26 120.40 126.26 2c34 s VAL 75 Ca 0.08 0.58 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 2c34 s VAL 75 Cb -0.15 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2c34 s VAL 75 CO -0.26 0.30 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.94 2c34 s VAL 76 N 1.04 1.81 -0.53 2.04 1.01 -0.83 -0.80 120.40 124.16 2c34 s VAL 76 Ca 0.16 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2c34 s VAL 76 Cb -0.14 -1.65 0.14 0.00 0.00 0.00 0.00 36.38 34.73 2c34 s VAL 76 CO 0.06 0.50 0.36 -0.76 0.00 0.00 0.00 175.10 175.27 2c34 s LEU 77 N 1.16 5.51 -0.52 3.92 1.43 -0.62 -1.39 118.68 128.17 2c34 s LEU 77 Ca -0.00 -2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 50.60 2c34 s LEU 77 Cb -0.14 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2c34 s LEU 77 CO -0.07 -0.54 0.70 -0.69 0.23 0.00 0.00 176.35 175.98 2c34 s VAL 78 N 0.78 4.76 -0.44 -1.59 1.01 -1.02 0.77 120.40 124.66 2c34 s VAL 78 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2c34 s VAL 78 Cb -0.22 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 31.91 2c34 s VAL 78 CO -0.03 -0.89 0.29 -0.54 0.00 0.00 0.00 175.10 173.93 2c34 s LYS 79 N 2.95 2.36 -0.83 2.72 1.02 -0.73 -2.25 119.74 124.97 2c34 s LYS 79 Ca 0.19 -1.73 -0.24 0.00 0.02 0.00 0.00 55.97 54.20 2c34 s LYS 79 Cb -0.18 -3.80 -0.19 0.00 -0.52 0.00 0.00 37.83 33.14 2c34 s LYS 79 CO 0.13 -1.12 2.47 -2.30 -0.92 0.00 0.00 175.35 173.62 2c34 n PRO 80 N 4.82 0.36 -0.14 -1.68 -0.02 -1.26 -0.07 135.00 137.00 2c34 n PRO 80 Ca -0.07 -0.13 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 2c34 n PRO 80 Cb 0.41 -2.23 0.20 0.00 -0.02 0.00 0.00 33.50 31.86 2c34 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c34 h ARG 81 N 13.93 0.84 0.00 -0.52 3.08 -1.07 -1.07 114.38 129.57 2c34 h ARG 81 Ca -0.07 -0.16 -0.25 0.00 0.07 0.00 0.00 59.98 59.56 2c34 h ARG 81 Cb 1.22 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 2c34 h ARG 81 CO 1.32 0.74 -0.16 1.63 -1.07 0.00 0.00 179.97 182.43 2c34 n LYS 82 N -4.29 1.39 -3.83 0.04 5.02 -1.10 -4.91 118.16 110.48 2c34 n LYS 82 Ca 0.04 -1.44 -0.25 0.00 -2.02 0.00 0.00 58.31 54.64 2c34 n LYS 82 Cb 0.21 0.31 -0.17 0.00 -0.02 0.00 0.00 35.03 35.35 2c34 n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2c34 s ARG 83 N -2.79 1.02 0.00 1.97 0.52 -1.26 -4.79 118.95 113.62 2c34 s ARG 83 Ca 0.04 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 2c34 s ARG 83 Cb -0.00 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.14 2c34 s ARG 83 CO 0.03 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.44 2c34 n GLY 84 N 5.05 -1.11 3.02 -3.53 0.00 -1.14 -4.98 105.19 102.50 2c34 n GLY 84 Ca -0.10 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 2c34 n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c34 s HIS 85 N 0.00 3.66 0.29 1.61 3.76 -1.26 -3.28 115.29 120.07 2c34 s HIS 85 Ca 0.00 -2.91 0.11 0.00 -0.15 0.00 0.00 55.06 52.11 2c34 s HIS 85 Cb 0.00 -2.80 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 2c34 s HIS 85 CO 0.00 -0.94 -0.13 -1.01 -0.85 0.00 0.00 174.74 171.81 2c34 s HIS 86 N 0.94 2.40 -0.04 1.40 3.76 -0.92 -5.03 115.29 117.81 2c34 s HIS 86 Ca 0.09 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 2c34 s HIS 86 Cb -0.19 -1.13 0.07 0.00 1.11 0.00 0.00 32.58 32.45 2c34 s HIS 86 CO -0.08 0.66 0.70 0.99 -0.85 0.00 0.00 174.74 176.16 2c34 s THR 87 N -2.49 0.00 -0.50 1.30 2.01 -1.26 -1.51 115.64 113.19 2c34 s THR 87 Ca 0.31 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.35 2c34 s THR 87 Cb -0.04 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.63 2c34 s THR 87 CO 0.17 0.00 0.36 -0.22 -0.69 0.00 0.00 174.62 174.23 2c34 s LEU 88 N -1.29 2.61 -0.55 4.42 2.96 -0.09 -4.92 118.68 121.83 2c34 s LEU 88 Ca -0.10 -3.16 -0.24 0.00 -0.22 0.00 0.00 54.13 50.41 2c34 s LEU 88 Cb -0.00 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.84 2c34 s LEU 88 CO 0.08 -0.17 0.93 -1.83 -1.32 0.00 0.00 176.35 174.04 2c34 s GLU 89 N -0.27 3.32 0.56 1.98 -1.05 -1.26 0.49 118.70 122.48 2c34 s GLU 89 Ca 0.27 -0.29 -0.02 0.00 -0.15 0.00 0.00 54.97 54.78 2c34 s GLU 89 Cb -0.05 -4.05 0.02 0.00 -0.44 0.00 0.00 34.13 29.60 2c34 s GLU 89 CO -0.14 -1.47 0.83 -0.51 0.95 0.00 0.00 175.26 174.91 2c34 s LEU 90 N 3.89 3.27 -0.08 1.83 1.43 0.06 -1.63 118.68 127.46 2c34 s LEU 90 Ca 0.30 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.53 2c34 s LEU 90 Cb -0.13 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 42.96 2c34 s LEU 90 CO 0.19 -1.09 0.52 0.54 0.23 0.00 0.00 176.35 176.74 2c34 s VAL 91 N -2.86 0.02 -1.06 -1.59 0.11 -0.09 -2.15 120.40 112.77 2c34 s VAL 91 Ca 0.55 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 2c34 s VAL 91 Cb -0.10 -0.81 0.24 0.00 -1.53 0.00 0.00 36.38 34.18 2c34 s VAL 91 CO 0.41 -0.09 1.10 -0.47 -3.33 0.00 0.00 175.10 172.72 2c34 s TYR 92 N -0.82 4.00 0.23 1.54 5.04 -0.97 -2.37 117.35 124.01 2c34 s TYR 92 Ca -0.09 -2.41 0.11 0.00 -2.44 0.00 0.00 57.07 52.24 2c34 s TYR 92 Cb -0.03 -3.93 -0.05 0.00 0.35 0.00 0.00 41.96 38.30 2c34 s TYR 92 CO 0.05 -1.05 -0.19 -0.08 -1.34 0.00 0.00 175.55 172.94 2c34 s THR 93 N -0.36 2.22 -0.51 4.34 -1.32 0.38 -3.96 115.64 116.42 2c34 s THR 93 Ca 0.30 -2.23 -0.15 0.00 -1.21 0.00 0.00 61.69 58.40 2c34 s THR 93 Cb -0.09 -2.15 0.12 0.00 -1.51 0.00 0.00 72.50 68.87 2c34 s THR 93 CO -0.07 -0.37 0.45 -0.13 -2.21 0.00 0.00 174.62 172.29 2c34 s ARG 94 N -3.28 2.90 0.34 7.08 0.52 -1.24 0.48 118.95 125.76 2c34 s ARG 94 Ca 0.25 -1.64 0.13 0.00 -0.52 0.00 0.00 55.73 53.95 2c34 s ARG 94 Cb -0.05 -4.20 1.00 0.00 0.52 0.00 0.00 34.95 32.22 2c34 s ARG 94 CO 0.11 -1.24 1.71 -1.35 0.02 0.00 0.00 175.30 174.55 2c34 h PRO 95 N 8.79 0.44 0.00 3.54 0.11 -1.92 0.33 132.00 143.29 2c34 h PRO 95 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2c34 h PRO 95 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2c34 h PRO 95 CO 0.98 0.29 0.00 1.19 -0.21 0.00 0.00 178.00 180.25 2c34 n PHE 96 N -4.91 0.00 -1.49 0.65 3.01 -1.26 -2.68 117.46 110.78 2c34 n PHE 96 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.75 2c34 n PHE 96 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 2c34 n PHE 96 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2c34 n GLU 97 N -0.53 0.00 0.00 -1.08 1.02 1.00 -5.16 120.64 115.89 2c34 n GLU 97 Ca 0.01 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2c34 n GLU 97 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 2c34 n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c34 n GLY 98 N 0.00 -2.14 3.60 0.62 0.00 -0.28 -4.95 105.19 102.04 2c34 n GLY 98 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2c34 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c34 s ILE 99 N -0.17 3.49 0.16 -0.61 1.01 -1.26 -3.63 121.20 120.18 2c34 s ILE 99 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.43 2c34 s ILE 99 Cb 0.00 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2c34 s ILE 99 CO 0.00 0.10 0.00 -1.59 0.00 0.00 0.00 174.94 173.46 2c34 s LYS 100 N -2.26 1.07 0.46 2.79 -2.85 -1.26 -5.04 119.74 112.65 2c34 s LYS 100 Ca 0.22 -1.51 0.26 0.00 -1.00 0.00 0.00 55.97 53.94 2c34 s LYS 100 Cb -0.11 -0.21 0.63 0.00 -2.06 0.00 0.00 37.83 36.07 2c34 s LYS 100 CO 0.15 -0.14 1.71 -1.00 0.10 0.00 0.00 175.35 176.17 2c34 h PRO 101 N 2.73 0.00 0.00 1.78 0.13 -2.00 -3.04 132.00 131.60 2c34 h PRO 101 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2c34 h PRO 101 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2c34 h PRO 101 CO 0.62 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 2c34 n GLU 102 N -3.06 0.83 -2.94 0.86 0.28 -1.26 -4.82 120.64 110.53 2c34 n GLU 102 Ca 0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.70 2c34 n GLU 102 Cb 0.47 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.77 2c34 n GLU 102 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2c34 s ASN 103 N -2.01 6.91 1.23 -1.84 0.02 -1.15 -5.05 114.94 113.05 2c34 s ASN 103 Ca 0.40 1.55 -0.15 0.00 -1.02 0.00 0.00 52.86 53.64 2c34 s ASN 103 Cb 0.18 -2.48 0.31 0.00 0.02 0.00 0.00 41.25 39.29 2c34 s ASN 103 CO 0.31 -0.27 1.00 -0.70 0.02 0.00 0.00 177.10 177.46 2c34 s GLU 104 N -2.99 -1.48 0.08 -0.60 2.12 -1.25 -4.76 118.70 109.82 2c34 s GLU 104 Ca 0.58 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.60 2c34 s GLU 104 Cb -0.10 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 2c34 s GLU 104 CO 0.16 -4.06 -0.06 0.50 -0.54 0.00 0.00 175.26 171.26 2c34 s ARG 105 N -4.54 0.76 -0.48 4.30 6.06 -1.26 -2.28 118.95 121.51 2c34 s ARG 105 Ca 0.69 -1.28 0.05 0.00 -2.50 0.00 0.00 55.73 52.69 2c34 s ARG 105 Cb -0.23 -0.10 0.23 0.00 0.06 0.00 0.00 34.95 34.91 2c34 s ARG 105 CO 0.64 -0.04 0.89 0.98 -2.50 0.00 0.00 175.30 175.28 2c34 n TYR 106 N 0.07 -3.10 -3.03 5.12 4.19 -0.91 -4.59 117.16 114.91 2c34 n TYR 106 Ca -0.13 -1.52 -0.32 0.00 3.31 0.00 0.00 57.90 59.24 2c34 n TYR 106 Cb 0.61 1.49 -0.05 0.00 0.49 0.00 0.00 39.34 41.87 2c34 n TYR 106 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2c34 s THR 107 N 0.69 4.69 -0.37 2.97 2.01 -1.26 -0.76 115.64 123.62 2c34 s THR 107 Ca 0.31 0.89 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2c34 s THR 107 Cb 0.17 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 69.19 2c34 s THR 107 CO -0.18 -0.29 0.25 -0.22 -0.69 0.00 0.00 174.62 173.49 2c34 s LEU 108 N -3.24 0.97 0.36 4.42 2.96 0.18 -0.15 118.68 124.18 2c34 s LEU 108 Ca 0.54 -2.33 -0.26 0.00 -0.22 0.00 0.00 54.13 51.86 2c34 s LEU 108 Cb -0.10 -0.32 -0.09 0.00 0.50 0.00 0.00 46.19 46.18 2c34 s LEU 108 CO 0.21 -0.27 1.07 -1.00 -1.32 0.00 0.00 176.35 175.04 2c34 s HIS 109 N 0.88 3.35 -0.27 5.38 3.76 0.11 -0.91 115.29 127.59 2c34 s HIS 109 Ca 0.21 1.66 -0.02 0.00 -0.15 0.00 0.00 55.06 56.76 2c34 s HIS 109 Cb -0.16 -3.19 0.11 0.00 1.11 0.00 0.00 32.58 30.45 2c34 s HIS 109 CO -0.04 -0.64 0.23 -0.51 -0.85 0.00 0.00 174.74 172.93 2c34 s LEU 110 N -2.28 0.01 -1.59 0.89 1.43 -0.57 -2.11 118.68 114.46 2c34 s LEU 110 Ca 0.54 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2c34 s LEU 110 Cb -0.25 0.24 -0.06 0.00 0.03 0.00 0.00 46.19 46.14 2c34 s LEU 110 CO 0.32 -0.39 2.84 -3.20 0.23 0.00 0.00 176.35 176.16 2c34 n ASN 111 N 5.30 8.12 -4.09 2.29 5.15 0.42 -2.15 115.26 130.29 2c34 n ASN 111 Ca -0.04 -2.64 -0.44 0.00 -0.60 0.00 0.00 54.58 50.86 2c34 n ASN 111 Cb 0.46 -1.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.12 2c34 n ASN 111 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2c34 n VAL 112 N 3.67 1.75 1.80 3.44 0.31 -1.21 -3.89 118.33 124.21 2c34 n VAL 112 Ca 0.75 -0.47 0.15 0.00 -0.01 0.00 0.00 64.34 64.76 2c34 n VAL 112 Cb 0.25 0.00 0.78 0.00 -0.91 0.00 0.00 33.84 33.96 2c34 n VAL 112 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80