#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pub n SER 2 N 0.00 -0.09 -4.72 4.04 7.64 -1.26 -4.70 113.62 114.53 1pub n SER 2 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1pub n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1pub n SER 2 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1pub s PHE 3 N -0.05 3.30 0.04 1.43 5.36 -1.26 -4.55 117.98 122.25 1pub s PHE 3 Ca 0.00 0.25 -0.21 0.00 -0.96 0.00 0.00 56.93 56.01 1pub s PHE 3 Cb 0.00 -1.90 0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1pub s PHE 3 CO 0.00 0.46 0.48 -1.54 -1.46 0.00 0.00 175.22 173.16 1pub s SER 4 N -0.61 -0.38 0.12 6.13 1.04 -0.37 -5.00 113.70 114.63 1pub s SER 4 Ca 0.11 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1pub s SER 4 Cb -0.12 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1pub s SER 4 CO 0.02 -0.68 0.03 -1.66 0.98 0.00 0.00 173.24 171.94 1pub s TRP 5 N -2.32 0.83 -0.28 5.02 1.48 -1.26 -0.20 118.94 122.21 1pub s TRP 5 Ca -0.06 -1.17 -0.23 0.00 -1.06 0.00 0.00 56.10 53.58 1pub s TRP 5 Cb -0.01 -0.49 0.13 0.00 -1.16 0.00 0.00 33.47 31.94 1pub s TRP 5 CO -0.01 -0.45 1.05 -0.51 -4.06 0.00 0.00 176.95 172.98 1pub s ASP 6 N -3.04 -0.43 -0.02 -2.66 -0.00 -0.30 -4.99 116.67 105.24 1pub s ASP 6 Ca 0.20 0.80 -0.30 0.00 -0.00 0.00 0.00 52.55 53.25 1pub s ASP 6 Cb 0.07 0.88 -0.04 0.00 -0.00 0.00 0.00 42.92 43.83 1pub s ASP 6 CO -0.00 -0.14 1.16 0.20 -0.00 0.00 0.00 175.17 176.39 1pub s ASN 7 N 0.42 7.11 0.58 0.27 -0.87 -1.26 -0.56 114.94 120.64 1pub s ASN 7 Ca 0.01 1.84 0.00 0.00 -1.57 0.00 0.00 52.86 53.14 1pub s ASN 7 Cb -0.05 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1pub s ASN 7 CO -0.09 -0.50 0.00 0.00 -2.57 0.00 0.00 177.10 173.94 1pub n ASP 9 N -2.32 -5.44 -1.22 0.00 8.00 -1.26 -1.60 116.55 112.72 1pub n ASP 9 Ca 0.00 -0.47 -0.12 0.00 0.71 0.00 0.00 54.79 54.90 1pub n ASP 9 Cb 0.00 -4.37 -0.05 0.00 -0.02 0.00 0.00 41.12 36.68 1pub n ASP 9 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pub n GLU 10 N -4.34 -1.41 -1.04 -1.24 1.02 -1.26 -0.13 120.64 112.24 1pub n GLU 10 Ca -0.03 0.78 -0.01 0.00 -0.02 0.00 0.00 57.16 57.87 1pub n GLU 10 Cb 0.57 -4.99 -0.01 0.00 -0.02 0.00 0.00 31.44 27.00 1pub n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pub n GLY 11 N -0.13 0.35 0.06 0.62 0.00 -0.63 -4.87 105.19 100.59 1pub n GLY 11 Ca -0.12 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1pub n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pub n LYS 12 N -1.01 0.44 -1.70 1.61 4.01 0.82 -4.92 118.16 117.40 1pub n LYS 12 Ca -0.01 -0.12 -0.31 0.00 -0.51 0.00 0.00 58.31 57.36 1pub n LYS 12 Cb 0.29 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.35 1pub n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1pub s ASP 13 N -2.64 5.66 0.10 4.39 1.01 -1.26 -5.00 116.67 118.94 1pub s ASP 13 Ca 0.24 1.57 -0.24 0.00 0.71 0.00 0.00 52.55 54.84 1pub s ASP 13 Cb 0.20 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.52 1pub s ASP 13 CO 0.51 -1.25 1.70 -0.65 0.21 0.00 0.00 175.17 175.69 1pub h PRO 14 N -0.50 -0.17 -5.62 8.23 0.11 -1.79 -3.41 132.00 128.85 1pub h PRO 14 Ca -0.44 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.09 1pub h PRO 14 Cb 1.20 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1pub h PRO 14 CO 0.58 -0.11 -0.09 0.00 -0.21 0.00 0.00 178.00 178.17 1pub s ALA 15 N -6.16 3.51 0.09 -0.75 0.00 -0.30 -2.92 121.76 115.23 1pub s ALA 15 Ca -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1pub s ALA 15 Cb 0.07 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1pub s ALA 15 CO 0.66 -0.24 -0.02 0.14 0.00 0.00 0.00 175.76 176.30 1pub s VAL 16 N 1.18 0.35 -0.16 0.00 -7.23 -0.65 -4.45 120.40 109.44 1pub s VAL 16 Ca 0.25 -1.88 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1pub s VAL 16 Cb -0.15 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1pub s VAL 16 CO 0.10 -0.82 0.11 -0.63 -0.31 0.00 0.00 175.10 173.55 1pub s ILE 17 N -3.85 5.26 -0.10 -0.62 -1.09 -1.26 -1.31 121.20 118.22 1pub s ILE 17 Ca 0.13 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.66 1pub s ILE 17 Cb 0.07 -3.34 -0.25 0.00 -1.58 0.00 0.00 42.46 37.35 1pub s ILE 17 CO -0.05 0.52 0.42 0.54 -1.23 0.00 0.00 174.94 175.14 1pub n ARG 18 N 2.90 0.73 -3.67 2.79 1.74 0.90 -4.89 116.66 117.16 1pub n ARG 18 Ca -0.18 0.27 -0.15 0.00 -0.77 0.00 0.00 57.85 57.02 1pub n ARG 18 Cb 0.53 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 1pub n ARG 18 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pub s SER 19 N -6.81 -0.36 -0.27 0.55 1.04 -0.97 -5.01 113.70 101.87 1pub s SER 19 Ca -0.18 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.41 1pub s SER 19 Cb 0.07 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.68 1pub s SER 19 CO 0.78 -0.52 0.63 -0.22 0.98 0.00 0.00 173.24 174.89 1pub s LEU 20 N -1.33 -0.91 -0.08 2.42 2.96 -1.26 -0.82 118.68 119.67 1pub s LEU 20 Ca -0.12 1.44 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 1pub s LEU 20 Cb -0.03 2.19 0.00 0.00 0.50 0.00 0.00 46.19 48.86 1pub s LEU 20 CO 0.06 -0.23 -0.20 0.42 -1.32 0.00 0.00 176.35 175.08 1pub s THR 21 N 2.08 1.71 -0.32 3.68 -4.23 -0.62 -4.98 115.64 112.96 1pub s THR 21 Ca -0.08 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1pub s THR 21 Cb -0.08 -1.50 0.10 0.00 1.34 0.00 0.00 72.50 72.36 1pub s THR 21 CO -0.19 0.48 0.09 -0.22 -0.54 0.00 0.00 174.62 174.25 1pub s LEU 22 N 0.38 2.75 -0.01 4.79 2.96 -1.26 -1.98 118.68 126.31 1pub s LEU 22 Ca -0.15 -1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 51.98 1pub s LEU 22 Cb -0.16 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1pub s LEU 22 CO 0.06 -0.41 0.12 -1.61 -1.32 0.00 0.00 176.35 173.20 1pub s GLU 23 N 1.45 3.22 0.58 1.98 2.02 -0.55 -4.47 118.70 122.93 1pub s GLU 23 Ca 0.10 -0.40 0.10 0.00 0.02 0.00 0.00 54.97 54.78 1pub s GLU 23 Cb -0.18 -2.97 0.09 0.00 0.10 0.00 0.00 34.13 31.17 1pub s GLU 23 CO -0.21 0.67 0.79 -1.25 0.02 0.00 0.00 175.26 175.27 1pub s PRO 24 N -1.77 2.30 -0.13 0.39 0.04 -1.26 -0.76 135.00 133.81 1pub s PRO 24 Ca 0.24 -1.66 0.00 0.00 0.04 0.00 0.00 61.00 59.62 1pub s PRO 24 Cb -0.12 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1pub s PRO 24 CO 0.15 -0.87 -0.11 0.34 0.04 0.00 0.00 177.00 176.56 1pub s ASP 25 N -4.66 2.40 0.79 6.66 3.68 -1.26 -2.49 116.67 121.77 1pub s ASP 25 Ca 0.61 -0.39 -0.11 0.00 2.13 0.00 0.00 52.55 54.80 1pub s ASP 25 Cb -0.06 -1.00 0.06 0.00 -1.45 0.00 0.00 42.92 40.48 1pub s ASP 25 CO 0.39 -0.08 1.09 -2.16 0.13 0.00 0.00 175.17 174.53 1pub s PRO 26 N 1.57 2.17 -0.19 4.34 0.04 -1.26 -5.06 135.00 136.60 1pub s PRO 26 Ca 0.04 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 1pub s PRO 26 Cb -0.13 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1pub s PRO 26 CO -0.09 -1.62 1.18 0.42 0.04 0.00 0.00 177.00 176.93 1pub s ILE 27 N -3.03 4.44 -0.19 0.56 1.01 0.64 -4.90 121.20 119.73 1pub s ILE 27 Ca 0.61 1.74 -0.21 0.00 0.00 0.00 0.00 60.65 62.78 1pub s ILE 27 Cb -0.16 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1pub s ILE 27 CO 0.55 -0.15 0.65 -0.63 0.00 0.00 0.00 174.94 175.36 1pub s ILE 28 N 3.37 5.01 -0.10 2.92 1.01 -1.26 -1.57 121.20 130.58 1pub s ILE 28 Ca 0.51 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.41 1pub s ILE 28 Cb -0.19 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1pub s ILE 28 CO 0.11 0.11 -0.16 0.54 0.00 0.00 0.00 174.94 175.54 1pub s VAL 29 N 1.88 1.53 0.86 2.92 0.11 -0.98 -3.30 120.40 123.43 1pub s VAL 29 Ca 0.30 -0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 1pub s VAL 29 Cb -0.16 -1.39 0.11 0.00 -1.53 0.00 0.00 36.38 33.41 1pub s VAL 29 CO 0.11 0.45 1.09 -2.84 -3.33 0.00 0.00 175.10 170.58 1pub s PRO 30 N 0.85 1.54 0.00 1.54 0.02 -1.26 -2.51 135.00 135.17 1pub s PRO 30 Ca -0.09 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1pub s PRO 30 Cb -0.15 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1pub s PRO 30 CO 0.01 -2.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.03 1pub n GLY 31 N -1.22 -1.02 3.61 0.52 0.00 -0.82 -4.84 105.19 101.42 1pub n GLY 31 Ca 0.07 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 1pub n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pub s ASN 32 N -2.83 4.51 0.05 1.61 -0.87 -1.26 0.11 114.94 116.26 1pub s ASN 32 Ca 0.00 -0.41 0.08 0.00 -1.57 0.00 0.00 52.86 50.96 1pub s ASN 32 Cb 0.00 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.25 40.31 1pub s ASN 32 CO 0.00 0.14 -0.22 0.68 -2.57 0.00 0.00 177.10 175.13 1pub s VAL 33 N -1.44 1.80 -0.28 1.60 -7.23 0.13 -4.55 120.40 110.43 1pub s VAL 33 Ca 0.24 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1pub s VAL 33 Cb -0.10 -1.57 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1pub s VAL 33 CO 0.16 0.21 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.26 1pub s THR 34 N -0.84 3.11 0.21 5.32 2.01 0.06 0.44 115.64 125.94 1pub s THR 34 Ca 0.09 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 61.00 1pub s THR 34 Cb -0.09 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1pub s THR 34 CO 0.02 0.04 0.26 -0.22 -0.69 0.00 0.00 174.62 174.04 1pub s LEU 35 N 1.32 4.12 -0.25 4.42 2.96 -0.27 -1.49 118.68 129.49 1pub s LEU 35 Ca -0.02 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1pub s LEU 35 Cb -0.18 -2.67 0.07 0.00 0.50 0.00 0.00 46.19 43.91 1pub s LEU 35 CO -0.02 -0.01 0.62 -0.55 -1.32 0.00 0.00 176.35 175.08 1pub s SER 36 N -3.61 -0.80 -0.08 3.68 0.15 -0.83 -1.31 113.70 110.90 1pub s SER 36 Ca 0.33 1.34 -0.13 0.00 0.70 0.00 0.00 55.95 58.19 1pub s SER 36 Cb -0.09 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.49 1pub s SER 36 CO 0.27 -0.23 0.33 0.54 1.20 0.00 0.00 173.24 175.35 1pub s VAL 37 N 1.27 0.02 -0.03 4.45 0.11 -0.64 -1.58 120.40 124.00 1pub s VAL 37 Ca -0.07 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1pub s VAL 37 Cb -0.06 -0.53 0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1pub s VAL 37 CO -0.13 -0.11 0.02 -0.32 -3.33 0.00 0.00 175.10 171.23 1pub s MET 38 N -0.43 0.14 0.23 1.54 1.75 0.00 0.40 119.30 122.93 1pub s MET 38 Ca -0.05 0.15 -0.18 0.00 -1.25 0.00 0.00 55.69 54.36 1pub s MET 38 Cb -0.04 -0.41 0.02 0.00 2.84 0.00 0.00 34.83 37.24 1pub s MET 38 CO 0.02 -0.17 0.57 0.20 -0.65 0.00 0.00 175.02 174.99 1pub s GLY 39 N 1.19 0.01 0.26 2.11 0.00 -0.71 -0.07 107.32 110.12 1pub s GLY 39 Ca -0.07 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1pub s GLY 39 CO -0.02 -0.27 0.20 -1.35 0.00 0.00 0.00 173.10 171.66 1pub s SER 40 N -2.91 0.88 -0.23 1.64 1.04 -0.43 -0.20 113.70 113.50 1pub s SER 40 Ca 0.12 -1.56 -0.08 0.00 0.48 0.00 0.00 55.95 54.91 1pub s SER 40 Cb -0.02 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.66 1pub s SER 40 CO 0.02 -0.94 0.49 0.28 0.98 0.00 0.00 173.24 174.07 1pub s THR 41 N -3.82 -0.74 -2.00 2.02 -1.32 -0.93 -1.64 115.64 107.21 1pub s THR 41 Ca 0.40 0.11 0.19 0.00 -1.21 0.00 0.00 61.69 61.18 1pub s THR 41 Cb 0.05 -0.77 0.53 0.00 -1.51 0.00 0.00 72.50 70.80 1pub s THR 41 CO 0.19 0.05 1.66 -1.54 -2.21 0.00 0.00 174.62 172.77 1pub n SER 42 N 5.39 0.00 -3.76 8.08 3.41 -1.15 -1.78 113.62 123.81 1pub n SER 42 Ca -0.10 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 57.14 1pub n SER 42 Cb 0.49 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1pub n SER 42 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1pub s VAL 43 N -2.00 0.06 0.30 -3.33 -7.23 -1.26 -4.94 120.40 102.00 1pub s VAL 43 Ca 0.28 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 1pub s VAL 43 Cb 0.13 -0.69 -0.10 0.00 0.56 0.00 0.00 36.38 36.28 1pub s VAL 43 CO 0.22 -0.28 1.36 -2.84 -0.31 0.00 0.00 175.10 173.24 1pub s PRO 44 N -1.59 4.32 -0.94 4.82 0.02 -1.26 -4.44 135.00 135.92 1pub s PRO 44 Ca -0.12 2.25 -0.09 0.00 0.02 0.00 0.00 61.00 63.06 1pub s PRO 44 Cb -0.04 -3.09 0.24 0.00 0.02 0.00 0.00 34.50 31.63 1pub s PRO 44 CO 0.03 -0.28 0.88 -0.51 -0.33 0.00 0.00 177.00 176.79 1pub s LEU 45 N -1.24 6.24 0.07 -5.54 1.43 0.15 -4.94 118.68 114.84 1pub s LEU 45 Ca 0.53 -3.27 0.04 0.00 -1.03 0.00 0.00 54.13 50.39 1pub s LEU 45 Cb -0.40 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1pub s LEU 45 CO 0.49 -0.36 0.02 -0.94 0.23 0.00 0.00 176.35 175.78 1pub s SER 46 N 1.27 5.15 0.66 2.29 1.04 -1.26 -2.65 113.70 120.19 1pub s SER 46 Ca 0.25 -0.10 -0.17 0.00 0.48 0.00 0.00 55.95 56.40 1pub s SER 46 Cb -0.11 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.70 1pub s SER 46 CO -0.09 0.20 0.91 -1.54 0.98 0.00 0.00 173.24 173.70 1pub n SER 47 N 0.74 0.40 -4.68 7.02 3.41 -1.26 -4.35 113.62 114.90 1pub n SER 47 Ca -0.11 0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 1pub n SER 47 Cb 0.52 -1.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 1pub n SER 47 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1pub s PRO 48 N -2.96 4.28 -0.08 4.33 0.04 -1.26 -5.15 135.00 134.20 1pub s PRO 48 Ca 0.74 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1pub s PRO 48 Cb -0.38 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 1pub s PRO 48 CO 0.49 -0.60 -0.19 -0.51 0.04 0.00 0.00 177.00 176.24 1pub s LEU 49 N 2.71 2.43 -0.02 -3.56 1.43 -1.26 -4.44 118.68 115.98 1pub s LEU 49 Ca 0.61 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1pub s LEU 49 Cb -0.28 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1pub s LEU 49 CO 0.24 0.23 -0.20 -0.75 0.23 0.00 0.00 176.35 176.10 1pub s LYS 50 N -0.07 1.65 -0.11 1.70 2.20 -0.23 -1.38 119.74 123.51 1pub s LYS 50 Ca -0.04 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1pub s LYS 50 Cb -0.14 -1.59 0.02 0.00 -1.51 0.00 0.00 37.83 34.61 1pub s LYS 50 CO 0.04 0.42 -0.15 0.08 -0.36 0.00 0.00 175.35 175.39 1pub s VAL 51 N -0.45 1.51 -0.25 4.02 1.01 -0.70 -1.40 120.40 124.15 1pub s VAL 51 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1pub s VAL 51 Cb -0.08 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1pub s VAL 51 CO -0.01 0.44 -0.03 -1.81 0.00 0.00 0.00 175.10 173.70 1pub s ASP 52 N 1.04 4.44 0.15 3.32 1.01 0.13 -0.27 116.67 126.50 1pub s ASP 52 Ca -0.05 -0.74 0.04 0.00 0.71 0.00 0.00 52.55 52.51 1pub s ASP 52 Cb -0.15 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1pub s ASP 52 CO -0.03 -0.12 0.13 -0.76 0.21 0.00 0.00 175.17 174.61 1pub s LEU 53 N 1.39 3.84 -0.32 1.23 1.43 0.30 -1.10 118.68 125.45 1pub s LEU 53 Ca 0.02 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1pub s LEU 53 Cb -0.16 -2.46 0.12 0.00 0.03 0.00 0.00 46.19 43.72 1pub s LEU 53 CO -0.03 0.09 0.20 -0.69 0.23 0.00 0.00 176.35 176.14 1pub s VAL 54 N -1.68 -0.05 -0.06 -1.59 1.01 -0.04 -3.63 120.40 114.35 1pub s VAL 54 Ca 0.31 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1pub s VAL 54 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1pub s VAL 54 CO 0.23 -0.79 0.62 -0.22 0.00 0.00 0.00 175.10 174.95 1pub s LEU 55 N 1.68 4.33 0.02 3.92 2.96 -1.26 -2.21 118.68 128.12 1pub s LEU 55 Ca 0.13 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.16 1pub s LEU 55 Cb -0.18 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 1pub s LEU 55 CO -0.19 -0.04 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.12 1pub s GLU 56 N 0.53 0.53 0.15 1.98 2.02 0.61 -0.88 118.70 123.64 1pub s GLU 56 Ca 0.33 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.96 1pub s GLU 56 Cb -0.17 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 1pub s GLU 56 CO 0.16 0.11 -0.25 0.21 0.02 0.00 0.00 175.26 175.51 1pub s LYS 57 N -0.77 1.38 -0.04 1.61 2.20 -0.99 -0.02 119.74 123.12 1pub s LYS 57 Ca -0.02 -1.38 -0.18 0.00 -0.36 0.00 0.00 55.97 54.03 1pub s LYS 57 Cb -0.06 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 1pub s LYS 57 CO 0.00 0.40 0.49 -2.00 -0.36 0.00 0.00 175.35 173.88 1pub s GLU 58 N -2.28 4.20 -0.15 4.03 2.12 -0.38 -0.24 118.70 126.01 1pub s GLU 58 Ca 0.15 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 1pub s GLU 58 Cb -0.09 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.03 1pub s GLU 58 CO 0.07 0.41 0.16 0.08 -0.54 0.00 0.00 175.26 175.44 1pub s VAL 59 N -0.23 -0.24 -1.53 3.70 1.01 0.07 -4.68 120.40 118.49 1pub s VAL 59 Ca 0.26 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1pub s VAL 59 Cb -0.17 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.83 1pub s VAL 59 CO 0.13 -0.08 0.77 0.00 0.00 0.00 0.00 175.10 175.93 1pub n ALA 60 N 5.31 -1.20 0.00 5.51 0.00 -1.26 -2.33 120.51 126.54 1pub n ALA 60 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pub n ALA 60 Cb 0.50 -3.65 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1pub n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pub n GLY 61 N -1.43 1.85 3.31 0.00 0.00 -1.26 -5.08 105.19 102.58 1pub n GLY 61 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1pub n GLY 61 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pub s LEU 62 N 0.00 2.38 -0.01 0.99 2.34 -0.98 -5.11 118.68 118.29 1pub s LEU 62 Ca 0.00 -0.78 -0.28 0.00 0.06 0.00 0.00 54.13 53.13 1pub s LEU 62 Cb 0.00 -0.83 -0.04 0.00 -0.56 0.00 0.00 46.19 44.76 1pub s LEU 62 CO 0.00 -0.00 0.88 0.26 -1.06 0.00 0.00 176.35 176.42 1pub s TRP 63 N -1.68 3.65 -0.16 3.48 0.52 -1.26 -0.75 118.94 122.74 1pub s TRP 63 Ca 0.11 1.55 -0.03 0.00 0.02 0.00 0.00 56.10 57.75 1pub s TRP 63 Cb -0.07 -3.00 -0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1pub s TRP 63 CO 0.05 0.06 -0.05 0.96 0.02 0.00 0.00 176.95 177.99 1pub s ILE 64 N 0.79 3.73 0.11 2.03 -4.36 0.67 -4.91 121.20 119.26 1pub s ILE 64 Ca 0.46 -0.41 -0.31 0.00 -0.26 0.00 0.00 60.65 60.13 1pub s ILE 64 Cb -0.20 -2.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.79 1pub s ILE 64 CO 0.25 0.49 1.50 -0.75 0.24 0.00 0.00 174.94 176.66 1pub s LYS 65 N 0.49 4.26 -0.35 0.37 2.20 -1.26 -2.33 119.74 123.12 1pub s LYS 65 Ca -0.04 2.20 -0.18 0.00 -0.36 0.00 0.00 55.97 57.59 1pub s LYS 65 Cb -0.14 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1pub s LYS 65 CO 0.03 -0.56 0.51 0.42 -0.36 0.00 0.00 175.35 175.38 1pub s ILE 66 N 1.59 5.02 1.07 5.43 1.01 -0.06 -4.97 121.20 130.29 1pub s ILE 66 Ca 0.68 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.52 1pub s ILE 66 Cb -0.39 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.27 1pub s ILE 66 CO 0.30 -0.21 0.52 -2.65 0.00 0.00 0.00 174.94 172.90 1pub n PRO 67 N 5.73 -1.40 -3.48 2.79 -0.02 -1.26 -1.39 135.00 135.97 1pub n PRO 67 Ca -0.05 -0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 60.66 1pub n PRO 67 Cb 0.49 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 1pub n PRO 67 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pub s THR 69 N 1.92 0.93 -0.88 0.00 2.01 -0.23 -4.92 115.64 114.46 1pub s THR 69 Ca 0.11 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1pub s THR 69 Cb -0.16 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1pub s THR 69 CO 0.11 0.00 0.62 -0.90 -0.69 0.00 0.00 174.62 173.76 1pub n ASP 70 N 4.92 -4.94 0.00 3.53 5.68 -1.26 -2.19 116.55 122.29 1pub n ASP 70 Ca -0.11 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1pub n ASP 70 Cb 0.47 -1.92 0.00 0.00 -1.14 0.00 0.00 41.12 38.53 1pub n ASP 70 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pub n TYR 71 N -2.95 0.00 -4.40 2.11 9.36 -1.26 -5.00 117.16 115.02 1pub n TYR 71 Ca -0.27 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.62 1pub n TYR 71 Cb 0.66 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.28 1pub n TYR 71 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1pub s ILE 72 N -1.64 4.05 0.00 2.97 1.09 -0.93 -4.90 121.20 121.83 1pub s ILE 72 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1pub s ILE 72 Cb 0.00 -2.74 0.00 0.00 -1.06 0.00 0.00 42.46 38.66 1pub s ILE 72 CO 0.00 0.49 0.00 0.61 -0.10 0.00 0.00 174.94 175.94 1pub n GLY 73 N 1.78 -1.79 2.81 6.18 0.00 -1.26 -1.07 105.19 111.84 1pub n GLY 73 Ca -0.16 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 1pub n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pub n SER 74 N 0.00 3.46 -4.94 1.61 7.64 -0.49 -4.56 113.62 116.35 1pub n SER 74 Ca 0.00 -2.34 -0.25 0.00 1.01 0.00 0.00 58.87 57.29 1pub n SER 74 Cb 0.00 -0.97 0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1pub n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pub s THR 76 N -2.71 1.83 -0.40 0.00 2.01 -1.26 -0.54 115.64 114.57 1pub s THR 76 Ca 0.50 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1pub s THR 76 Cb -0.10 -1.64 0.07 0.00 0.01 0.00 0.00 72.50 70.84 1pub s THR 76 CO 0.41 0.50 0.22 -0.36 -0.69 0.00 0.00 174.62 174.70 1pub s PHE 77 N 0.95 3.34 0.27 4.92 0.40 0.63 -4.98 117.98 123.52 1pub s PHE 77 Ca -0.05 -1.58 0.03 0.00 -0.60 0.00 0.00 56.93 54.73 1pub s PHE 77 Cb -0.15 -2.81 0.39 0.00 0.51 0.00 0.00 43.02 40.95 1pub s PHE 77 CO -0.03 -0.83 1.69 1.49 0.70 0.00 0.00 175.22 178.25 1pub h GLU 78 N 8.33 0.44 -2.90 0.44 4.81 -1.86 -1.85 114.58 121.98 1pub h GLU 78 Ca -0.22 -0.19 -0.61 0.00 -0.13 0.00 0.00 59.36 58.21 1pub h GLU 78 Cb 1.08 -0.02 -0.41 0.00 0.63 0.00 0.00 28.75 30.04 1pub h GLU 78 CO 0.71 0.71 -0.69 -1.01 -0.73 0.00 0.00 179.01 178.00 1pub s HIS 79 N -4.38 2.77 0.23 0.92 3.76 -1.26 -4.26 115.29 113.08 1pub s HIS 79 Ca -0.06 -2.99 -0.04 0.00 -0.15 0.00 0.00 55.06 51.82 1pub s HIS 79 Cb 0.13 -2.18 0.25 0.00 1.11 0.00 0.00 32.58 31.89 1pub s HIS 79 CO 0.79 -0.65 1.70 0.35 -0.85 0.00 0.00 174.74 176.08 1pub h PHE 80 N 5.63 0.90 -0.54 1.40 3.57 -1.39 -2.52 116.94 123.99 1pub h PHE 80 Ca 0.15 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1pub h PHE 80 Cb 0.82 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1pub h PHE 80 CO 0.55 0.86 -0.03 0.00 -2.23 0.00 0.00 178.31 177.47 1pub h ASP 82 N 0.86 0.00 -0.23 0.00 3.32 -1.92 -0.19 116.42 118.27 1pub h ASP 82 Ca 0.15 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 1pub h ASP 82 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1pub h ASP 82 CO 0.03 0.29 -0.56 0.58 -1.72 0.00 0.00 179.24 177.86 1pub h VAL 83 N 0.00 1.28 -0.25 -1.35 2.07 -0.91 -2.39 116.25 114.71 1pub h VAL 83 Ca -0.00 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.66 1pub h VAL 83 Cb 0.67 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1pub h VAL 83 CO 0.04 0.57 -0.26 -0.07 0.02 0.00 0.00 177.57 177.87 1pub h LEU 84 N 0.63 0.66 0.00 2.57 3.38 -0.91 -2.19 115.31 119.45 1pub h LEU 84 Ca 0.01 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1pub h LEU 84 Cb 1.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1pub h LEU 84 CO 0.12 1.00 0.00 0.47 0.09 0.00 0.00 178.44 180.13 1pub n ASP 85 N -4.33 0.00 -0.08 -0.43 9.92 -0.12 -1.11 116.55 120.40 1pub n ASP 85 Ca -0.04 -0.44 -0.09 0.00 -0.53 0.00 0.00 54.79 53.68 1pub n ASP 85 Cb 0.45 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.83 1pub n ASP 85 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1pub n MET 86 N -0.98 1.27 -0.04 -1.24 2.81 -0.91 -4.21 117.12 113.82 1pub n MET 86 Ca 0.10 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1pub n MET 86 Cb 0.05 -1.35 -0.11 0.00 -0.71 0.00 0.00 33.22 31.09 1pub n MET 86 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1pub h LEU 87 N 0.00 -0.02 -7.70 4.03 3.38 -0.74 -3.39 115.31 110.87 1pub h LEU 87 Ca -0.38 -0.71 -0.72 0.00 0.09 0.00 0.00 57.88 56.15 1pub h LEU 87 Cb 1.76 0.01 -0.32 0.00 0.09 0.00 0.00 40.66 42.20 1pub h LEU 87 CO -0.01 0.73 -0.26 -0.63 0.09 0.00 0.00 178.44 178.37 1pub s ILE 88 N -3.03 4.26 0.14 1.22 1.09 -0.27 -5.06 121.20 119.55 1pub s ILE 88 Ca -0.17 -2.63 -0.34 0.00 -1.10 0.00 0.00 60.65 56.41 1pub s ILE 88 Cb -0.01 -3.74 -0.16 0.00 -1.06 0.00 0.00 42.46 37.49 1pub s ILE 88 CO 0.64 -0.89 1.19 -2.65 -0.10 0.00 0.00 174.94 173.12 1pub n PRO 89 N 3.86 1.05 0.15 2.79 -0.02 -1.26 -4.51 135.00 137.05 1pub n PRO 89 Ca 0.07 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1pub n PRO 89 Cb 0.41 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1pub n PRO 89 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1pub n THR 90 N 1.73 0.00 -3.18 3.45 5.66 -1.26 -2.29 114.28 118.40 1pub n THR 90 Ca 0.16 0.54 -0.25 0.00 -3.05 0.00 0.00 64.05 61.46 1pub n THR 90 Cb 0.22 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 67.76 1pub n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pub n GLY 91 N -0.98 4.46 3.57 1.09 0.00 -1.26 -5.05 105.19 107.02 1pub n GLY 91 Ca 0.00 -2.34 -0.16 0.00 0.00 0.00 0.00 46.02 43.52 1pub n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pub s GLU 92 N -2.54 0.94 0.72 1.61 2.56 -0.97 -5.15 118.70 115.87 1pub s GLU 92 Ca 0.42 0.61 -0.16 0.00 0.00 0.00 0.00 54.97 55.85 1pub s GLU 92 Cb 0.23 0.45 0.02 0.00 2.00 0.00 0.00 34.13 36.83 1pub s GLU 92 CO -0.08 -0.21 1.08 -2.30 -0.56 0.00 0.00 175.26 173.19 1pub n PRO 93 N 1.80 0.57 -1.22 4.30 -0.02 -1.26 -4.93 135.00 134.24 1pub n PRO 93 Ca -0.17 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 1pub n PRO 93 Cb 0.56 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1pub n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pub n PRO 95 N -3.49 -0.38 -4.38 0.00 -0.02 -1.26 -4.32 135.00 121.15 1pub n PRO 95 Ca 0.10 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 1pub n PRO 95 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.91 1pub n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pub s GLU 96 N -1.67 1.87 0.00 -0.52 0.41 -1.26 -0.93 118.70 116.60 1pub s GLU 96 Ca 0.00 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.03 1pub s GLU 96 Cb 0.00 -1.96 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1pub s GLU 96 CO 0.00 0.37 0.70 -0.35 -0.49 0.00 0.00 175.26 175.49 1pub n PRO 97 N -0.37 0.92 -0.28 0.39 -0.04 -1.26 -4.91 135.00 129.45 1pub n PRO 97 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1pub n PRO 97 Cb 0.58 -1.22 0.06 0.00 -0.04 0.00 0.00 33.50 32.89 1pub n PRO 97 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pub h LEU 98 N 0.04 0.95 -0.34 1.53 4.07 -1.86 -3.04 115.31 116.66 1pub h LEU 98 Ca 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1pub h LEU 98 Cb 0.22 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1pub h LEU 98 CO 0.00 0.76 0.08 -0.09 -1.08 0.00 0.00 178.44 178.11 1pub h ARG 99 N 1.07 0.55 -0.93 1.13 2.43 -1.23 -2.00 114.38 115.41 1pub h ARG 99 Ca 0.27 -0.14 0.22 0.00 -0.81 0.00 0.00 59.98 59.52 1pub h ARG 99 Cb 0.00 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 1pub h ARG 99 CO -0.05 0.61 0.61 1.15 -1.51 0.00 0.00 179.97 180.79 1pub h THR 100 N 0.40 0.65 -0.36 0.20 2.02 -1.81 -2.23 112.91 111.79 1pub h THR 100 Ca 0.11 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1pub h THR 100 Cb 0.31 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 66.87 1pub h THR 100 CO 0.00 0.07 -0.00 -1.22 0.37 0.00 0.00 175.52 174.74 1pub n TYR 101 N -4.51 1.15 -2.06 3.16 4.02 -1.15 -4.96 117.16 112.80 1pub n TYR 101 Ca 0.20 -1.34 -0.14 0.00 -0.01 0.00 0.00 57.90 56.61 1pub n TYR 101 Cb 0.74 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.58 1pub n TYR 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pub n GLY 102 N -0.90 0.16 3.76 2.72 0.00 -0.84 -4.94 105.19 105.15 1pub n GLY 102 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1pub n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pub s LEU 103 N -5.03 4.51 0.49 0.99 1.43 -0.76 -5.05 118.68 115.26 1pub s LEU 103 Ca 0.00 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1pub s LEU 103 Cb 0.00 -3.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 1pub s LEU 103 CO 0.00 0.10 0.88 -2.16 0.23 0.00 0.00 176.35 175.40 1pub s PRO 104 N -0.53 3.72 -0.13 1.29 0.04 -1.26 -4.57 135.00 133.56 1pub s PRO 104 Ca 0.37 0.58 0.22 0.00 0.04 0.00 0.00 61.00 62.21 1pub s PRO 104 Cb -0.21 -2.26 0.46 0.00 0.04 0.00 0.00 34.50 32.53 1pub s PRO 104 CO 0.24 -0.25 1.15 0.00 0.04 0.00 0.00 177.00 178.19 1pub s HIS 106 N -1.94 -0.46 0.61 0.00 3.76 -1.26 -4.81 115.29 111.19 1pub s HIS 106 Ca 0.33 0.79 -0.15 0.00 -0.15 0.00 0.00 55.06 55.88 1pub s HIS 106 Cb 0.36 0.28 -0.03 0.00 1.11 0.00 0.00 32.58 34.30 1pub s HIS 106 CO -0.10 -0.51 1.06 0.00 -0.85 0.00 0.00 174.74 174.34 1pub s PRO 108 N -4.19 3.83 -0.36 0.00 0.04 -1.26 -5.02 135.00 128.03 1pub s PRO 108 Ca 0.63 0.34 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1pub s PRO 108 Cb -0.16 -2.59 -0.00 0.00 0.04 0.00 0.00 34.50 31.78 1pub s PRO 108 CO 0.39 0.26 0.36 -0.06 0.04 0.00 0.00 177.00 177.99 1pub s PHE 109 N -1.90 3.21 0.92 0.56 0.40 -1.09 -4.92 117.98 115.17 1pub s PHE 109 Ca 0.49 -0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.56 1pub s PHE 109 Cb -0.11 -2.69 0.14 0.00 0.51 0.00 0.00 43.02 40.88 1pub s PHE 109 CO 0.22 -0.48 1.09 -1.59 0.70 0.00 0.00 175.22 175.15 1pub s LYS 110 N 1.99 1.05 0.90 0.44 0.00 -1.26 -0.68 119.74 122.19 1pub s LYS 110 Ca 0.11 0.95 -0.11 0.00 0.00 0.00 0.00 55.97 56.92 1pub s LYS 110 Cb -0.17 -1.77 0.13 0.00 0.00 0.00 0.00 37.83 36.02 1pub s LYS 110 CO 0.12 -2.42 1.11 0.39 0.00 0.00 0.00 175.35 174.55 1pub n GLU 111 N -4.02 -0.35 0.00 1.78 1.02 -1.26 -4.79 120.64 113.02 1pub n GLU 111 Ca 0.07 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1pub n GLU 111 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1pub n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pub n GLY 112 N 0.40 1.59 3.92 0.62 0.00 -0.73 -4.98 105.19 106.01 1pub n GLY 112 Ca 0.12 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1pub n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pub s THR 113 N -1.31 5.36 0.05 2.61 2.01 -1.26 -2.18 115.64 120.92 1pub s THR 113 Ca 0.00 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1pub s THR 113 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1pub s THR 113 CO 0.00 0.11 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.61 1pub s TYR 114 N -1.55 1.03 -0.09 4.92 1.51 0.73 -4.98 117.35 118.90 1pub s TYR 114 Ca 0.35 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1pub s TYR 114 Cb -0.13 -0.60 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1pub s TYR 114 CO 0.28 0.01 0.23 0.45 -1.11 0.00 0.00 175.55 175.41 1pub s SER 115 N -1.43 -0.24 -0.25 2.29 0.15 -1.26 -1.74 113.70 111.21 1pub s SER 115 Ca -0.03 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.12 1pub s SER 115 Cb -0.09 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 1pub s SER 115 CO 0.01 -0.13 -0.05 -0.22 1.20 0.00 0.00 173.24 174.05 1pub s LEU 116 N 0.84 2.97 0.79 3.45 2.96 0.16 -4.99 118.68 124.86 1pub s LEU 116 Ca -0.06 -1.35 -0.13 0.00 -0.22 0.00 0.00 54.13 52.37 1pub s LEU 116 Cb -0.07 -1.29 0.07 0.00 0.50 0.00 0.00 46.19 45.40 1pub s LEU 116 CO -0.05 -0.25 1.20 -2.84 -1.32 0.00 0.00 176.35 173.09 1pub s PRO 117 N 1.29 1.77 -0.32 0.98 0.02 -1.26 -1.62 135.00 135.86 1pub s PRO 117 Ca -0.04 1.72 -0.37 0.00 0.02 0.00 0.00 61.00 62.33 1pub s PRO 117 Cb -0.19 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 1pub s PRO 117 CO -0.07 -2.10 2.08 1.63 -0.33 0.00 0.00 177.00 178.20 1pub n LYS 118 N -3.19 1.13 -4.51 5.54 5.02 -1.25 -4.71 118.16 116.19 1pub n LYS 118 Ca 0.13 0.35 -0.27 0.00 -2.02 0.00 0.00 58.31 56.50 1pub n LYS 118 Cb 0.51 -2.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.05 1pub n LYS 118 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pub s SER 119 N 6.26 4.00 0.04 4.39 0.01 -0.43 -4.95 113.70 123.02 1pub s SER 119 Ca 1.07 -1.30 0.08 0.00 1.31 0.00 0.00 55.95 57.10 1pub s SER 119 Cb -0.92 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 1pub s SER 119 CO 0.53 -0.46 -0.21 -0.70 0.41 0.00 0.00 173.24 172.81 1pub s GLU 120 N -3.75 1.44 0.08 12.44 2.12 -1.26 -1.12 118.70 128.65 1pub s GLU 120 Ca 0.36 -0.96 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1pub s GLU 120 Cb 0.08 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 1pub s GLU 120 CO 0.19 0.40 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.16 1pub s PHE 121 N -0.80 0.91 -0.24 5.30 0.08 0.17 -4.96 117.98 118.44 1pub s PHE 121 Ca 0.08 -0.64 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 1pub s PHE 121 Cb -0.09 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 1pub s PHE 121 CO 0.02 -0.05 0.08 0.08 -0.10 0.00 0.00 175.22 175.25 1pub s VAL 122 N -2.22 4.52 -0.79 -0.44 1.01 -1.26 0.20 120.40 121.41 1pub s VAL 122 Ca 0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1pub s VAL 122 Cb -0.04 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.32 1pub s VAL 122 CO -0.01 0.35 1.09 -0.69 0.00 0.00 0.00 175.10 175.84 1pub s VAL 123 N 1.40 4.38 0.87 2.92 1.01 0.30 -4.98 120.40 126.30 1pub s VAL 123 Ca 0.06 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1pub s VAL 123 Cb -0.15 -4.77 -0.14 0.00 0.00 0.00 0.00 36.38 31.32 1pub s VAL 123 CO 0.04 -1.55 -0.81 -2.65 0.00 0.00 0.00 175.10 170.13 1pub n PRO 124 N 7.55 0.00 -1.47 2.72 -0.02 -1.26 -1.95 135.00 140.57 1pub n PRO 124 Ca 0.10 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 1pub n PRO 124 Cb 0.47 -0.87 0.07 0.00 -0.02 0.00 0.00 33.50 33.15 1pub n PRO 124 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pub n ASP 125 N 3.06 7.65 0.25 2.55 5.75 -1.26 -4.32 116.55 130.23 1pub n ASP 125 Ca -0.02 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 1pub n ASP 125 Cb 0.52 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1pub n ASP 125 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pub n LEU 126 N -0.80 0.00 -3.17 -2.12 4.77 -1.26 -4.76 117.00 109.66 1pub n LEU 126 Ca 0.60 0.37 -0.23 0.00 -0.03 0.00 0.00 56.01 56.73 1pub n LEU 126 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1pub n LEU 126 CO 0.72 -0.37 0.03 -0.62 -1.33 0.00 0.00 177.39 175.82 1pub n GLU 127 N -2.11 -5.11 -1.73 3.23 1.02 -1.26 -4.99 120.64 109.69 1pub n GLU 127 Ca 0.00 0.84 -0.29 0.00 -0.02 0.00 0.00 57.16 57.68 1pub n GLU 127 Cb 0.87 -5.71 0.10 0.00 -0.02 0.00 0.00 31.44 26.68 1pub n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pub s LEU 128 N -6.76 2.40 0.04 -4.62 1.43 -1.26 -4.93 118.68 104.97 1pub s LEU 128 Ca 0.36 0.96 -0.33 0.00 -1.03 0.00 0.00 54.13 54.09 1pub s LEU 128 Cb -0.17 -3.45 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 1pub s LEU 128 CO 0.45 -2.06 1.78 -2.65 0.23 0.00 0.00 176.35 174.10 1pub n PRO 129 N -3.45 2.33 -0.07 1.29 -0.02 -1.26 -4.84 135.00 128.98 1pub n PRO 129 Ca 0.07 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 1pub n PRO 129 Cb 0.59 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1pub n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pub h SER 130 N 8.10 0.33 -0.02 2.55 0.87 -1.94 0.95 113.55 124.39 1pub h SER 130 Ca -0.47 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1pub h SER 130 Cb 1.25 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1pub h SER 130 CO 0.93 0.37 0.01 4.11 -0.53 0.00 0.00 176.83 181.72 1pub h TRP 131 N 0.27 0.00 0.12 2.24 5.08 -1.91 0.81 115.95 122.56 1pub h TRP 131 Ca 0.08 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.73 1pub h TRP 131 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 1pub h TRP 131 CO -0.02 0.00 -1.67 1.25 -1.28 0.00 0.00 178.44 176.72 1pub h LEU 132 N 0.00 0.40 0.09 0.11 7.12 -1.69 -3.38 115.31 117.95 1pub h LEU 132 Ca 0.01 -0.62 -0.00 0.00 0.13 0.00 0.00 57.88 57.39 1pub h LEU 132 Cb 0.04 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1pub h LEU 132 CO -0.00 1.53 -0.04 0.00 -0.13 0.00 0.00 178.44 179.80 1pub h THR 133 N 0.07 1.11 -3.02 1.05 1.03 0.20 -3.46 112.91 109.89 1pub h THR 133 Ca -0.29 -1.37 -0.58 0.00 -0.01 0.00 0.00 66.41 64.16 1pub h THR 133 Cb 2.03 1.91 0.12 0.00 -1.07 0.00 0.00 68.15 71.14 1pub h THR 133 CO 0.14 0.30 0.30 0.41 -0.01 0.00 0.00 175.52 176.67 1pub n THR 134 N -4.84 2.17 0.00 0.00 -1.04 0.27 -4.79 114.28 106.05 1pub n THR 134 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1pub n THR 134 Cb 0.29 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1pub n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pub n GLY 135 N 1.02 1.69 3.81 3.41 0.00 -0.54 -4.92 105.19 109.67 1pub n GLY 135 Ca 0.08 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1pub n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pub s ASN 136 N 0.00 6.37 0.24 1.61 0.01 -1.26 -0.85 114.94 121.06 1pub s ASN 136 Ca 0.00 0.44 0.06 0.00 -0.71 0.00 0.00 52.86 52.64 1pub s ASN 136 Cb 0.00 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 1pub s ASN 136 CO 0.00 0.30 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.51 1pub s TYR 137 N -0.44 1.74 -0.05 2.20 2.02 -0.43 -1.25 117.35 121.14 1pub s TYR 137 Ca 0.14 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 1pub s TYR 137 Cb -0.12 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1pub s TYR 137 CO 0.03 0.20 0.11 1.03 -1.57 0.00 0.00 175.55 175.34 1pub s ARG 138 N -3.75 0.09 0.01 -0.62 0.52 0.97 -2.60 118.95 113.58 1pub s ARG 138 Ca 0.27 0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.76 1pub s ARG 138 Cb 0.03 -0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.43 1pub s ARG 138 CO 0.09 -0.08 -0.17 -1.50 0.02 0.00 0.00 175.30 173.66 1pub s ILE 139 N 0.55 1.35 -0.09 1.52 1.10 0.11 -0.28 121.20 125.45 1pub s ILE 139 Ca -0.04 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.21 1pub s ILE 139 Cb -0.06 -1.16 0.02 0.00 0.15 0.00 0.00 42.46 41.42 1pub s ILE 139 CO -0.02 0.25 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.29 1pub s GLU 140 N -0.75 1.35 -0.16 3.50 2.12 -0.94 -0.86 118.70 122.96 1pub s GLU 140 Ca 0.06 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.18 1pub s GLU 140 Cb -0.07 -1.39 0.02 0.00 0.26 0.00 0.00 34.13 32.95 1pub s GLU 140 CO 0.00 -0.21 -0.17 0.45 -0.54 0.00 0.00 175.26 174.80 1pub s SER 141 N 1.50 2.88 -0.13 -1.70 0.15 0.42 -0.86 113.70 115.96 1pub s SER 141 Ca 0.00 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 1pub s SER 141 Cb -0.13 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 1pub s SER 141 CO -0.05 -0.03 -0.09 -0.69 1.20 0.00 0.00 173.24 173.58 1pub s VAL 142 N 1.39 3.41 -0.19 4.45 1.01 -0.26 -1.28 120.40 128.94 1pub s VAL 142 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1pub s VAL 142 Cb -0.13 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1pub s VAL 142 CO -0.12 0.53 -0.08 -0.22 0.00 0.00 0.00 175.10 175.21 1pub s LEU 143 N 0.15 2.79 0.23 3.92 2.96 -0.45 -0.69 118.68 127.60 1pub s LEU 143 Ca -0.05 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1pub s LEU 143 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1pub s LEU 143 CO 0.04 0.04 0.18 -0.94 -1.32 0.00 0.00 176.35 174.35 1pub s SER 144 N 1.10 0.54 -0.27 3.68 1.04 -0.50 0.16 113.70 119.45 1pub s SER 144 Ca 0.01 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 54.95 1pub s SER 144 Cb -0.15 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.57 1pub s SER 144 CO -0.02 -0.91 0.47 -0.55 0.98 0.00 0.00 173.24 173.22 1pub s SER 145 N -3.21 -0.46 -1.30 7.02 0.15 -0.25 -1.06 113.70 114.59 1pub s SER 145 Ca 0.39 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 57.41 1pub s SER 145 Cb 0.06 1.56 0.01 0.00 -1.71 0.00 0.00 66.02 65.94 1pub s SER 145 CO 0.16 -0.29 1.07 -1.20 1.20 0.00 0.00 173.24 174.18 1pub n SER 146 N 5.39 -4.23 0.00 5.45 7.64 -1.26 -2.47 113.62 124.13 1pub n SER 146 Ca -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1pub n SER 146 Cb 0.51 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1pub n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pub n GLY 147 N -1.61 3.01 3.72 0.23 0.00 -1.26 -5.01 105.19 104.26 1pub n GLY 147 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1pub n GLY 147 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pub s LYS 148 N -0.26 4.51 -0.32 1.61 2.20 -1.03 -5.01 119.74 121.44 1pub s LYS 148 Ca 0.00 1.66 -0.28 0.00 -0.36 0.00 0.00 55.97 56.99 1pub s LYS 148 Cb 0.00 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1pub s LYS 148 CO 0.00 -0.11 1.04 1.03 -0.36 0.00 0.00 175.35 176.95 1pub s ARG 149 N 0.66 4.06 -0.20 4.03 1.81 -1.26 -1.09 118.95 126.96 1pub s ARG 149 Ca 0.54 1.02 0.16 0.00 -1.72 0.00 0.00 55.73 55.74 1pub s ARG 149 Cb -0.27 -3.73 -0.24 0.00 -0.45 0.00 0.00 34.95 30.26 1pub s ARG 149 CO 0.30 -0.87 0.05 1.28 -0.68 0.00 0.00 175.30 175.38 1pub n LEU 150 N 6.78 0.22 -3.43 2.53 4.77 0.12 -4.60 117.00 123.40 1pub n LEU 150 Ca 0.11 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1pub n LEU 150 Cb 0.47 0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1pub n LEU 150 CO 0.58 0.52 0.41 -0.83 -1.33 0.00 0.00 177.39 176.74 1pub s GLY 151 N -5.49 -0.61 -0.29 -0.72 0.00 -0.67 -1.15 107.32 98.40 1pub s GLY 151 Ca -0.11 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.08 1pub s GLY 151 CO 0.79 0.19 0.59 0.00 0.00 0.00 0.00 173.10 174.67 1pub s ILE 153 N 2.83 0.71 -0.01 0.00 2.07 -0.40 0.24 121.20 126.64 1pub s ILE 153 Ca 0.04 -0.81 0.06 0.00 -1.41 0.00 0.00 60.65 58.53 1pub s ILE 153 Cb -0.13 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1pub s ILE 153 CO -0.19 -0.10 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.01 1pub s LYS 154 N -1.01 1.54 -0.01 3.50 1.02 0.28 -0.44 119.74 124.61 1pub s LYS 154 Ca -0.03 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 1pub s LYS 154 Cb -0.07 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1pub s LYS 154 CO 0.01 0.41 0.05 0.42 -0.92 0.00 0.00 175.35 175.31 1pub s ILE 155 N -0.48 0.02 -0.07 2.17 1.01 -0.04 -1.15 121.20 122.65 1pub s ILE 155 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1pub s ILE 155 Cb -0.08 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.28 1pub s ILE 155 CO -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 174.94 174.76 1pub s ALA 156 N -0.25 1.12 0.18 9.38 0.00 0.71 0.04 121.76 132.94 1pub s ALA 156 Ca -0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1pub s ALA 156 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1pub s ALA 156 CO 0.00 -0.06 0.26 0.00 0.00 0.00 0.00 175.76 175.96 1pub s ALA 157 N 1.01 0.29 -0.02 0.00 0.00 -1.07 -1.24 121.76 120.73 1pub s ALA 157 Ca -0.09 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1pub s ALA 157 Cb -0.15 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1pub s ALA 157 CO -0.00 -0.65 -0.18 -1.12 0.00 0.00 0.00 175.76 173.81 1pub s SER 158 N -3.02 2.12 0.09 0.00 0.01 -1.26 -1.32 113.70 110.32 1pub s SER 158 Ca 0.23 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.21 1pub s SER 158 Cb 0.04 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1pub s SER 158 CO 0.04 0.20 -0.01 -0.76 0.41 0.00 0.00 173.24 173.12 1pub s LEU 159 N -0.29 3.42 -0.17 2.44 1.43 -0.03 -0.26 118.68 125.21 1pub s LEU 159 Ca 0.04 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1pub s LEU 159 Cb -0.08 -2.15 0.07 0.00 0.03 0.00 0.00 46.19 44.06 1pub s LEU 159 CO 0.00 0.18 0.17 -0.75 0.23 0.00 0.00 176.35 176.18 1pub s LYS 160 N -2.28 0.12 0.13 1.70 2.20 -0.61 -1.46 119.74 119.54 1pub s LYS 160 Ca 0.25 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 1pub s LYS 160 Cb -0.12 -1.22 -0.06 0.00 -1.51 0.00 0.00 37.83 34.92 1pub s LYS 160 CO 0.18 -0.59 1.00 0.20 -0.36 0.00 0.00 175.35 175.78 1pub s GLY 161 N 2.26 2.95 0.00 5.54 0.00 -1.26 -2.31 107.32 114.50 1pub s GLY 161 Ca 0.05 0.65 0.27 0.00 0.00 0.00 0.00 44.72 45.69 1pub s GLY 161 CO -0.10 1.52 1.66 0.29 0.00 0.00 0.00 173.10 176.48