#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tyr n PRO 2 N 0.00 0.00 -3.67 1.61 -0.02 -1.26 -4.46 135.00 127.20 1tyr n PRO 2 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1tyr n PRO 2 Cb 0.00 -0.19 -0.13 0.00 -0.02 0.00 0.00 33.50 33.16 1tyr n PRO 2 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1tyr s THR 3 N -0.37 -0.35 0.00 3.45 2.01 -1.26 -3.54 115.64 115.57 1tyr s THR 3 Ca 0.02 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1tyr s THR 3 Cb 0.01 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1tyr s THR 3 CO 0.04 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1tyr n GLY 4 N 5.16 0.32 0.92 4.40 0.00 -1.26 -4.87 105.19 109.86 1tyr n GLY 4 Ca -0.09 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1tyr n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tyr n THR 5 N 0.00 0.38 0.00 2.61 5.66 -1.26 -2.39 114.28 119.28 1tyr n THR 5 Ca 0.00 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1tyr n THR 5 Cb 0.00 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 1tyr n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tyr n GLY 6 N 1.36 0.74 2.65 1.09 0.00 -1.26 -4.00 105.19 105.77 1tyr n GLY 6 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1tyr n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tyr s GLU 7 N 1.46 0.38 -0.04 1.61 -1.05 -1.24 -2.08 118.70 117.75 1tyr s GLU 7 Ca 0.00 -0.48 -0.17 0.00 -0.15 0.00 0.00 54.97 54.17 1tyr s GLU 7 Cb 0.00 -1.75 -0.10 0.00 -0.44 0.00 0.00 34.13 31.84 1tyr s GLU 7 CO 0.00 -0.82 0.70 1.03 0.95 0.00 0.00 175.26 177.12 1tyr h SER 8 N 8.31 -0.40 0.00 0.83 0.87 -1.90 -3.41 113.55 117.84 1tyr h SER 8 Ca -0.17 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 1tyr h SER 8 Cb 1.08 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 63.01 1tyr h SER 8 CO 0.38 0.05 -0.31 0.29 -0.53 0.00 0.00 176.83 176.72 1tyr n LYS 9 N -5.09 0.00 -3.28 2.24 5.02 -1.26 -4.72 118.16 111.06 1tyr n LYS 9 Ca -0.07 -1.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.02 1tyr n LYS 9 Cb 0.23 0.46 0.02 0.00 -0.02 0.00 0.00 35.03 35.71 1tyr n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tyr h PRO 11 N 2.74 0.00 -4.04 0.00 0.13 -1.89 -3.43 132.00 125.52 1tyr h PRO 11 Ca -0.29 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.37 1tyr h PRO 11 Cb 1.18 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.95 1tyr h PRO 11 CO 0.12 0.09 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.02 1tyr s LEU 12 N -6.46 1.07 0.02 1.56 2.96 -1.26 0.60 118.68 117.17 1tyr s LEU 12 Ca 0.01 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1tyr s LEU 12 Cb 0.10 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 1tyr s LEU 12 CO 0.58 -0.11 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.11 1tyr s MET 13 N 1.49 0.47 -0.02 1.98 1.75 -0.87 -4.41 119.30 119.68 1tyr s MET 13 Ca -0.01 -0.46 0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1tyr s MET 13 Cb -0.13 -0.34 -0.01 0.00 2.84 0.00 0.00 34.83 37.19 1tyr s MET 13 CO -0.04 0.08 -0.17 0.08 -0.65 0.00 0.00 175.02 174.32 1tyr s VAL 14 N -0.73 1.34 -0.08 10.11 1.01 -0.92 -0.65 120.40 130.48 1tyr s VAL 14 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1tyr s VAL 14 Cb -0.06 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1tyr s VAL 14 CO 0.00 0.38 -0.11 -0.75 0.00 0.00 0.00 175.10 174.62 1tyr s LYS 15 N -0.23 1.68 -0.04 2.72 2.20 -0.64 -0.85 119.74 124.59 1tyr s LYS 15 Ca 0.03 -0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1tyr s LYS 15 Cb -0.08 -1.49 -0.01 0.00 -1.51 0.00 0.00 37.83 34.74 1tyr s LYS 15 CO 0.00 -0.06 -0.19 0.08 -0.36 0.00 0.00 175.35 174.82 1tyr s VAL 16 N 0.98 1.55 0.22 4.02 1.01 0.22 -1.56 120.40 126.83 1tyr s VAL 16 Ca -0.08 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1tyr s VAL 16 Cb -0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1tyr s VAL 16 CO -0.00 0.44 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 1tyr s LEU 17 N -0.07 2.48 -0.31 3.92 1.43 0.39 -1.24 118.68 125.29 1tyr s LEU 17 Ca -0.02 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.09 1tyr s LEU 17 Cb -0.11 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1tyr s LEU 17 CO 0.02 0.08 0.09 -0.62 0.23 0.00 0.00 176.35 176.15 1tyr s ASP 18 N -2.93 5.20 0.01 2.29 -1.08 0.32 -0.15 116.67 120.33 1tyr s ASP 18 Ca 0.23 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 1tyr s ASP 18 Cb -0.07 -1.89 1.21 0.00 -1.46 0.00 0.00 42.92 40.72 1tyr s ASP 18 CO 0.11 -0.23 1.92 0.00 0.52 0.00 0.00 175.17 177.48 1tyr n ALA 19 N 4.86 2.34 -0.02 3.66 0.00 -0.47 -1.37 120.51 129.52 1tyr n ALA 19 Ca -0.14 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 1tyr n ALA 19 Cb 0.47 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1tyr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tyr n VAL 20 N -1.53 1.71 0.74 0.00 0.31 -1.26 -4.44 118.33 113.86 1tyr n VAL 20 Ca 0.07 -0.68 0.08 0.00 -0.01 0.00 0.00 64.34 63.80 1tyr n VAL 20 Cb 0.34 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 1tyr n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1tyr n ARG 21 N -3.35 1.65 -3.18 5.55 1.74 -1.24 -5.00 116.66 112.83 1tyr n ARG 21 Ca -0.31 -0.69 -0.14 0.00 -0.77 0.00 0.00 57.85 55.94 1tyr n ARG 21 Cb 1.05 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 31.27 1tyr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tyr n GLY 22 N 1.21 -0.22 3.67 -0.13 0.00 -0.47 -5.02 105.19 104.23 1tyr n GLY 22 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1tyr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tyr s SER 23 N -4.06 -0.10 0.68 1.61 1.04 -1.11 -5.03 113.70 106.73 1tyr s SER 23 Ca 0.03 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.45 1tyr s SER 23 Cb -0.01 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1tyr s SER 23 CO 0.60 -1.23 1.11 -2.16 0.98 0.00 0.00 173.24 172.53 1tyr s PRO 24 N -3.88 2.68 -0.46 4.02 0.04 -1.26 -0.52 135.00 135.62 1tyr s PRO 24 Ca 0.19 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1tyr s PRO 24 Cb -0.02 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1tyr s PRO 24 CO 0.09 -1.33 0.45 0.00 0.04 0.00 0.00 177.00 176.25 1tyr s ALA 25 N -2.47 3.47 0.13 8.56 0.00 -0.37 -4.56 121.76 126.52 1tyr s ALA 25 Ca 0.66 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 1tyr s ALA 25 Cb -0.20 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1tyr s ALA 25 CO 0.45 -1.73 0.52 0.42 0.00 0.00 0.00 175.76 175.42 1tyr s ILE 26 N 2.02 4.90 -1.29 0.00 1.01 -1.26 -4.35 121.20 122.23 1tyr s ILE 26 Ca 0.09 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 1tyr s ILE 26 Cb -0.20 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1tyr s ILE 26 CO 0.10 0.26 0.42 0.59 0.00 0.00 0.00 174.94 176.32 1tyr n ASN 27 N 0.85 -5.24 -4.75 3.58 3.02 -0.46 -4.96 115.26 107.31 1tyr n ASN 27 Ca -0.06 -0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 53.90 1tyr n ASN 27 Cb 0.52 -4.12 -0.06 0.00 -0.61 0.00 0.00 39.78 35.52 1tyr n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tyr s VAL 28 N -3.03 5.03 0.24 2.41 1.01 -1.26 -4.72 120.40 120.08 1tyr s VAL 28 Ca 0.21 1.15 -0.27 0.00 0.00 0.00 0.00 61.98 63.07 1tyr s VAL 28 Cb -0.09 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1tyr s VAL 28 CO 0.26 0.38 0.89 0.00 0.00 0.00 0.00 175.10 176.62 1tyr s ALA 29 N 0.14 3.34 -0.03 5.51 0.00 -1.26 -1.04 121.76 128.40 1tyr s ALA 29 Ca 0.30 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1tyr s ALA 29 Cb -0.17 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1tyr s ALA 29 CO 0.15 0.23 -0.08 0.08 0.00 0.00 0.00 175.76 176.14 1tyr s VAL 30 N -1.32 0.74 -0.07 0.00 1.01 0.92 -1.18 120.40 120.50 1tyr s VAL 30 Ca 0.42 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1tyr s VAL 30 Cb -0.23 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1tyr s VAL 30 CO 0.27 0.25 -0.15 -1.00 0.00 0.00 0.00 175.10 174.48 1tyr s HIS 31 N 0.43 1.66 -0.03 5.22 3.76 -0.72 -0.64 115.29 124.97 1tyr s HIS 31 Ca -0.07 -0.62 0.06 0.00 -0.15 0.00 0.00 55.06 54.29 1tyr s HIS 31 Cb -0.11 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 1tyr s HIS 31 CO 0.01 -0.29 -0.21 0.08 -0.85 0.00 0.00 174.74 173.48 1tyr s VAL 32 N 0.55 2.51 0.16 -0.90 1.01 0.90 -0.40 120.40 124.24 1tyr s VAL 32 Ca -0.14 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1tyr s VAL 32 Cb -0.16 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1tyr s VAL 32 CO 0.04 0.58 -0.09 -0.36 0.00 0.00 0.00 175.10 175.27 1tyr s PHE 33 N -0.67 1.33 -0.02 5.22 0.40 -0.05 -0.18 117.98 124.02 1tyr s PHE 33 Ca 0.11 -0.77 0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1tyr s PHE 33 Cb -0.10 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 1tyr s PHE 33 CO -0.00 0.08 -0.22 0.50 0.70 0.00 0.00 175.22 176.28 1tyr s ARG 34 N -3.76 1.78 -0.02 0.44 3.52 -0.04 -0.87 118.95 120.00 1tyr s ARG 34 Ca 0.19 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 1tyr s ARG 34 Cb 0.03 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.66 1tyr s ARG 34 CO 0.02 0.47 1.13 0.21 -0.81 0.00 0.00 175.30 176.32 1tyr s LYS 35 N -0.53 4.42 0.79 5.12 2.20 0.79 -0.67 119.74 131.86 1tyr s LYS 35 Ca 0.08 1.62 -0.09 0.00 -0.36 0.00 0.00 55.97 57.22 1tyr s LYS 35 Cb -0.08 -3.47 0.11 0.00 -1.51 0.00 0.00 37.83 32.87 1tyr s LYS 35 CO -0.01 -0.30 1.12 0.00 -0.36 0.00 0.00 175.35 175.80 1tyr s ALA 36 N 1.62 2.92 0.24 3.13 0.00 0.28 -4.69 121.76 125.26 1tyr s ALA 36 Ca 0.55 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1tyr s ALA 36 Cb -0.25 -2.61 0.40 0.00 0.00 0.00 0.00 23.12 20.66 1tyr s ALA 36 CO 0.25 -1.68 1.64 0.00 0.00 0.00 0.00 175.76 175.97 1tyr h ALA 37 N -0.93 0.74 -0.13 0.00 0.00 -1.95 -0.70 119.26 116.30 1tyr h ALA 37 Ca -0.43 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1tyr h ALA 37 Cb 1.29 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1tyr h ALA 37 CO 0.52 -0.41 0.11 -0.40 0.00 0.00 0.00 179.25 179.07 1tyr n ASP 38 N -5.32 5.38 -2.80 0.00 5.75 -1.26 -4.86 116.55 113.43 1tyr n ASP 38 Ca 0.12 -2.55 -0.15 0.00 -0.01 0.00 0.00 54.79 52.21 1tyr n ASP 38 Cb 0.44 -1.05 -0.01 0.00 -1.03 0.00 0.00 41.12 39.48 1tyr n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tyr n ASP 39 N 1.09 -3.39 -4.24 -1.12 9.92 -0.27 -4.96 116.55 113.58 1tyr n ASP 39 Ca 0.08 0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 1tyr n ASP 39 Cb 0.53 -2.87 -0.10 0.00 -0.64 0.00 0.00 41.12 38.04 1tyr n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1tyr s THR 40 N -2.65 1.16 -0.38 -3.53 -4.23 -1.26 -4.90 115.64 99.86 1tyr s THR 40 Ca 0.15 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.40 1tyr s THR 40 Cb -0.08 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.99 1tyr s THR 40 CO 0.19 -0.71 0.93 0.26 -0.54 0.00 0.00 174.62 174.75 1tyr s TRP 41 N -3.17 3.05 -0.05 3.99 0.52 -1.26 0.10 118.94 122.13 1tyr s TRP 41 Ca 0.15 0.72 -0.07 0.00 0.02 0.00 0.00 56.10 56.92 1tyr s TRP 41 Cb 0.02 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 1tyr s TRP 41 CO 0.01 -0.87 0.23 -1.21 0.02 0.00 0.00 176.95 175.12 1tyr s GLU 42 N 3.53 3.55 0.19 4.98 2.02 0.15 -4.86 118.70 128.26 1tyr s GLU 42 Ca 0.38 -0.06 -0.33 0.00 0.02 0.00 0.00 54.97 54.98 1tyr s GLU 42 Cb -0.12 -3.14 -0.13 0.00 0.10 0.00 0.00 34.13 30.84 1tyr s GLU 42 CO 0.20 0.71 1.65 -2.30 0.02 0.00 0.00 175.26 175.54 1tyr n PRO 43 N 1.53 2.49 -0.03 0.39 -0.02 -1.26 -0.86 135.00 137.23 1tyr n PRO 43 Ca -0.15 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1tyr n PRO 43 Cb 0.54 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1tyr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tyr n PHE 44 N 3.63 0.00 -3.63 6.00 7.35 0.75 -4.80 117.46 126.76 1tyr n PHE 44 Ca 0.16 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.80 1tyr n PHE 44 Cb 0.32 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 39.88 1tyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tyr s ALA 45 N -2.13 -1.78 0.16 3.13 0.00 -0.95 -4.99 121.76 115.20 1tyr s ALA 45 Ca -0.09 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 1tyr s ALA 45 Cb 0.02 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.70 1tyr s ALA 45 CO 0.15 -0.87 0.66 -1.54 0.00 0.00 0.00 175.76 174.16 1tyr s SER 46 N -2.71 -0.49 -0.03 0.00 1.04 -1.26 -0.07 113.70 110.18 1tyr s SER 46 Ca 0.09 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 1tyr s SER 46 Cb -0.01 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1tyr s SER 46 CO -0.03 -0.99 0.46 0.61 0.98 0.00 0.00 173.24 174.26 1tyr n GLY 47 N -0.38 0.30 3.07 7.32 0.00 0.19 -4.98 105.19 110.70 1tyr n GLY 47 Ca -0.14 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 1tyr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tyr s LYS 48 N -2.00 1.13 0.60 1.61 1.02 -1.26 -0.06 119.74 120.78 1tyr s LYS 48 Ca 0.11 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 1tyr s LYS 48 Cb -0.00 -1.06 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 1tyr s LYS 48 CO -0.01 0.22 1.17 0.95 -0.92 0.00 0.00 175.35 176.76 1tyr s THR 49 N -0.11 2.87 0.00 2.17 -4.23 -0.21 -4.79 115.64 111.35 1tyr s THR 49 Ca 0.01 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1tyr s THR 49 Cb -0.07 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1tyr s THR 49 CO 0.00 -0.15 0.00 -1.54 -0.54 0.00 0.00 174.62 172.39 1tyr n SER 50 N -1.72 0.00 0.18 3.99 3.41 0.21 -1.35 113.62 118.34 1tyr n SER 50 Ca 0.12 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.93 1tyr n SER 50 Cb 0.50 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.13 1tyr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tyr h GLU 51 N 0.00 0.00 -0.61 4.33 4.39 -1.94 0.18 114.58 120.92 1tyr h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tyr h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1tyr h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 1tyr n SER 52 N -4.42 3.65 -0.12 1.42 3.41 -1.26 -4.78 113.62 111.51 1tyr n SER 52 Ca 0.01 -2.29 -0.02 0.00 -0.26 0.00 0.00 58.87 56.32 1tyr n SER 52 Cb 0.26 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 1tyr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tyr n GLY 53 N 1.02 0.51 3.58 5.00 0.00 0.61 -4.80 105.19 111.11 1tyr n GLY 53 Ca 0.20 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1tyr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tyr s GLU 54 N -1.12 2.09 -0.13 1.61 2.02 -1.26 0.71 118.70 122.62 1tyr s GLU 54 Ca 0.00 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 53.62 1tyr s GLU 54 Cb 0.00 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 32.15 1tyr s GLU 54 CO 0.00 0.41 0.06 -1.17 0.02 0.00 0.00 175.26 174.58 1tyr s LEU 55 N -3.08 0.50 0.35 1.80 2.96 -0.03 -0.62 118.68 120.57 1tyr s LEU 55 Ca 0.27 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1tyr s LEU 55 Cb -0.08 -0.32 -0.06 0.00 0.50 0.00 0.00 46.19 46.23 1tyr s LEU 55 CO 0.16 -0.29 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.88 1tyr s HIS 56 N 2.06 2.49 0.00 5.38 3.76 -1.26 -2.16 115.29 125.56 1tyr s HIS 56 Ca 0.03 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1tyr s HIS 56 Cb -0.15 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1tyr s HIS 56 CO -0.07 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.74 1tyr n GLY 57 N -0.90 0.39 0.06 -2.22 0.00 -1.26 -4.92 105.19 96.33 1tyr n GLY 57 Ca -0.04 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1tyr n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tyr h LEU 58 N 0.00 0.03 0.00 0.99 3.38 -1.79 -3.41 115.31 114.52 1tyr h LEU 58 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1tyr h LEU 58 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1tyr h LEU 58 CO 0.00 1.03 0.15 1.07 0.09 0.00 0.00 178.44 180.78 1tyr n THR 59 N -3.35 0.00 -4.59 0.22 5.66 -0.88 -4.65 114.28 106.68 1tyr n THR 59 Ca -0.02 -0.93 -0.28 0.00 -3.05 0.00 0.00 64.05 59.78 1tyr n THR 59 Cb 0.95 0.81 -0.11 0.00 -1.55 0.00 0.00 70.33 70.44 1tyr n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tyr s THR 60 N -2.38 2.02 0.31 1.09 -4.23 -1.00 -3.65 115.64 107.80 1tyr s THR 60 Ca 0.15 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 1tyr s THR 60 Cb -0.03 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.88 1tyr s THR 60 CO 0.11 -0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.86 1tyr h GLU 61 N 1.75 0.31 -0.28 3.99 4.81 -1.84 -2.37 114.58 120.94 1tyr h GLU 61 Ca -0.44 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.56 1tyr h GLU 61 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1tyr h GLU 61 CO 0.80 0.59 -0.29 0.93 -0.73 0.00 0.00 179.01 180.30 1tyr h GLU 62 N 0.27 0.58 0.00 1.92 4.39 -1.78 -3.23 114.58 116.73 1tyr h GLU 62 Ca 0.04 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1tyr h GLU 62 Cb 0.68 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1tyr h GLU 62 CO 0.05 0.81 -0.29 1.49 -1.16 0.00 0.00 179.01 179.91 1tyr h GLU 63 N 0.50 0.00 -4.15 2.33 4.81 -1.70 -3.42 114.58 112.96 1tyr h GLU 63 Ca 0.06 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.56 1tyr h GLU 63 Cb 0.76 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.03 1tyr h GLU 63 CO 0.06 0.06 2.25 0.34 -0.73 0.00 0.00 179.01 180.99 1tyr n PHE 64 N -3.02 3.67 -2.05 0.92 7.35 -0.91 -4.95 117.46 118.46 1tyr n PHE 64 Ca 0.03 -2.95 -0.28 0.00 -0.76 0.00 0.00 57.45 53.49 1tyr n PHE 64 Cb 0.56 -2.25 0.11 0.00 0.35 0.00 0.00 39.48 38.25 1tyr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tyr s VAL 65 N 1.85 2.10 0.47 -2.13 -7.23 -1.26 -4.94 120.40 109.25 1tyr s VAL 65 Ca 0.44 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 60.24 1tyr s VAL 65 Cb 0.08 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 1tyr s VAL 65 CO -0.01 0.00 1.37 1.21 -0.31 0.00 0.00 175.10 177.36 1tyr n GLU 66 N -3.27 2.04 -3.61 4.82 2.13 -1.26 -4.81 120.64 116.69 1tyr n GLU 66 Ca 0.10 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1tyr n GLU 66 Cb 0.60 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1tyr n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tyr n GLY 67 N 0.68 -1.87 3.49 8.31 0.00 -0.95 -4.99 105.19 109.86 1tyr n GLY 67 Ca 0.07 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1tyr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tyr s ILE 68 N -2.39 4.36 0.21 -0.61 1.01 -1.26 -1.07 121.20 121.45 1tyr s ILE 68 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.59 1tyr s ILE 68 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1tyr s ILE 68 CO 0.00 0.38 -0.13 -0.31 0.00 0.00 0.00 174.94 174.88 1tyr s TYR 69 N 1.21 2.52 -0.08 3.97 1.51 0.07 -0.15 117.35 126.39 1tyr s TYR 69 Ca 0.04 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1tyr s TYR 69 Cb -0.14 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1tyr s TYR 69 CO 0.03 0.55 -0.13 0.21 -1.11 0.00 0.00 175.55 175.10 1tyr s LYS 70 N -3.00 1.84 -0.21 -0.62 2.20 -0.05 -1.74 119.74 118.15 1tyr s LYS 70 Ca 0.25 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.40 1tyr s LYS 70 Cb -0.08 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 1tyr s LYS 70 CO 0.14 -0.02 -0.08 0.08 -0.36 0.00 0.00 175.35 175.11 1tyr s VAL 71 N 0.84 3.00 -0.21 4.02 1.01 0.11 -0.87 120.40 128.30 1tyr s VAL 71 Ca -0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1tyr s VAL 71 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1tyr s VAL 71 CO 0.02 0.44 0.01 -0.70 0.00 0.00 0.00 175.10 174.86 1tyr s GLU 72 N 1.42 3.59 -0.21 2.72 2.12 0.46 -0.35 118.70 128.45 1tyr s GLU 72 Ca 0.05 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 1tyr s GLU 72 Cb -0.14 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 1tyr s GLU 72 CO -0.06 -0.05 0.01 0.42 -0.54 0.00 0.00 175.26 175.04 1tyr s ILE 73 N 1.18 4.01 -1.24 -3.70 1.01 0.31 -1.75 121.20 121.01 1tyr s ILE 73 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1tyr s ILE 73 Cb -0.14 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1tyr s ILE 73 CO 0.01 0.41 2.02 -0.67 0.00 0.00 0.00 174.94 176.71 1tyr n ASP 74 N 4.37 3.74 0.17 3.58 2.03 -0.32 -1.89 116.55 128.23 1tyr n ASP 74 Ca -0.17 -2.81 0.04 0.00 0.52 0.00 0.00 54.79 52.37 1tyr n ASP 74 Cb 0.52 -1.57 0.29 0.00 -0.72 0.00 0.00 41.12 39.63 1tyr n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tyr h THR 75 N 4.70 1.04 -0.36 5.18 1.35 -1.87 -3.23 112.91 119.72 1tyr h THR 75 Ca 0.47 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1tyr h THR 75 Cb 0.73 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1tyr h THR 75 CO 1.73 0.43 0.17 0.50 -0.25 0.00 0.00 175.52 178.11 1tyr h LYS 76 N 0.00 0.52 -0.37 4.72 3.64 -1.76 -2.14 116.57 121.17 1tyr h LYS 76 Ca -0.00 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1tyr h LYS 76 Cb 0.95 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1tyr h LYS 76 CO 0.06 0.47 0.01 0.77 -2.27 0.00 0.00 179.45 178.49 1tyr h SER 77 N 0.44 0.54 0.25 4.20 0.02 -1.88 -1.42 113.55 115.71 1tyr h SER 77 Ca 0.12 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1tyr h SER 77 Cb 0.13 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1tyr h SER 77 CO -0.01 0.60 -0.35 0.22 -1.14 0.00 0.00 176.83 176.15 1tyr h TYR 78 N 0.55 -0.97 -0.37 3.45 3.20 -1.46 -1.96 116.97 119.42 1tyr h TYR 78 Ca 0.12 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1tyr h TYR 78 Cb 0.34 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1tyr h TYR 78 CO 0.01 -0.48 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.39 1tyr h TRP 79 N -0.67 0.76 -0.72 -3.82 4.06 -1.26 -3.06 115.95 111.23 1tyr h TRP 79 Ca -0.00 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.77 1tyr h TRP 79 Cb 0.64 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 1tyr h TRP 79 CO -0.25 0.81 0.35 0.87 -3.56 0.00 0.00 178.44 176.66 1tyr h LYS 80 N 0.61 1.03 0.00 0.49 1.57 -1.10 0.39 116.57 119.56 1tyr h LYS 80 Ca 0.10 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1tyr h LYS 80 Cb 0.64 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1tyr h LYS 80 CO 0.04 0.79 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 1tyr n ALA 81 N -2.43 1.72 0.34 3.86 0.00 -0.75 -1.45 120.51 121.81 1tyr n ALA 81 Ca 0.07 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1tyr n ALA 81 Cb 0.13 -1.29 0.14 0.00 0.00 0.00 0.00 19.45 18.43 1tyr n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tyr n LEU 82 N -1.67 2.87 0.00 0.00 4.32 0.02 -4.97 117.00 117.57 1tyr n LEU 82 Ca 0.03 -1.39 0.00 0.00 -0.02 0.00 0.00 56.01 54.64 1tyr n LEU 82 Cb 0.20 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1tyr n LEU 82 CO 0.16 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.54 1tyr n GLY 83 N 1.05 0.53 3.61 -0.72 0.00 -0.53 -5.07 105.19 104.07 1tyr n GLY 83 Ca 0.14 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1tyr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tyr s ILE 84 N -2.00 3.85 -0.44 -0.61 1.01 -0.53 -4.98 121.20 117.50 1tyr s ILE 84 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1tyr s ILE 84 Cb 0.00 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1tyr s ILE 84 CO 0.00 0.52 0.39 -0.55 0.00 0.00 0.00 174.94 175.30 1tyr s SER 85 N -1.06 6.15 0.71 3.58 0.15 -1.26 -2.84 113.70 119.12 1tyr s SER 85 Ca 0.15 -1.02 -0.05 0.00 0.70 0.00 0.00 55.95 55.72 1tyr s SER 85 Cb -0.11 -2.19 0.08 0.00 -1.71 0.00 0.00 66.02 62.09 1tyr s SER 85 CO 0.04 -0.58 1.00 -2.16 1.20 0.00 0.00 173.24 172.74 1tyr s PRO 86 N 1.82 1.99 -0.10 5.44 0.04 -1.26 -5.02 135.00 137.92 1tyr s PRO 86 Ca 0.07 -0.52 -0.25 0.00 0.04 0.00 0.00 61.00 60.33 1tyr s PRO 86 Cb -0.21 -2.22 -0.29 0.00 0.04 0.00 0.00 34.50 31.83 1tyr s PRO 86 CO 0.10 -1.32 0.82 0.35 0.04 0.00 0.00 177.00 176.99 1tyr h PHE 87 N -0.58 0.26 -4.13 0.56 3.57 -1.47 -3.47 116.94 111.67 1tyr h PHE 87 Ca -0.42 -0.19 -0.46 0.00 3.53 0.00 0.00 57.97 60.43 1tyr h PHE 87 Cb 1.30 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1tyr h PHE 87 CO 0.08 1.15 0.36 -1.01 -2.23 0.00 0.00 178.31 176.67 1tyr s HIS 88 N -2.32 3.37 0.18 0.41 3.76 -1.26 -4.98 115.29 114.45 1tyr s HIS 88 Ca -0.16 1.53 -0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1tyr s HIS 88 Cb -0.01 -2.83 0.06 0.00 1.11 0.00 0.00 32.58 30.91 1tyr s HIS 88 CO 0.76 -0.29 1.43 0.93 -0.85 0.00 0.00 174.74 176.71 1tyr h GLU 89 N 1.34 0.35 0.00 1.40 4.39 -1.98 -3.39 114.58 116.69 1tyr h GLU 89 Ca -0.48 -0.30 0.21 0.00 0.34 0.00 0.00 59.36 59.13 1tyr h GLU 89 Cb 1.18 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1tyr h GLU 89 CO 0.61 0.95 0.67 -2.39 -1.16 0.00 0.00 179.01 177.69 1tyr n HIS 90 N -3.81 -1.13 -4.92 4.33 1.44 -1.26 -3.75 115.22 106.12 1tyr n HIS 90 Ca -0.04 -1.15 -0.27 0.00 -2.01 0.00 0.00 57.72 54.25 1tyr n HIS 90 Cb 0.72 0.55 -0.16 0.00 0.12 0.00 0.00 29.99 31.22 1tyr n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tyr s ALA 91 N -2.04 1.66 0.00 1.59 0.00 -0.79 -4.87 121.76 117.31 1tyr s ALA 91 Ca 0.25 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1tyr s ALA 91 Cb -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1tyr s ALA 91 CO 0.04 0.31 -0.19 -1.21 0.00 0.00 0.00 175.76 174.71 1tyr s GLU 92 N -0.02 1.48 -0.14 0.00 8.01 -1.26 -0.53 118.70 126.23 1tyr s GLU 92 Ca -0.03 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.19 1tyr s GLU 92 Cb -0.12 -1.48 0.02 0.00 -4.31 0.00 0.00 34.13 28.25 1tyr s GLU 92 CO 0.02 0.40 -0.14 0.08 0.01 0.00 0.00 175.26 175.63 1tyr s VAL 93 N -0.56 1.52 -0.14 2.63 1.01 0.53 -4.96 120.40 120.42 1tyr s VAL 93 Ca 0.07 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1tyr s VAL 93 Cb -0.08 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1tyr s VAL 93 CO 0.00 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1tyr s VAL 94 N 1.43 2.41 0.17 2.92 1.01 -1.26 -0.71 120.40 126.37 1tyr s VAL 94 Ca 0.03 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1tyr s VAL 94 Cb -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1tyr s VAL 94 CO -0.09 0.53 0.52 0.72 0.00 0.00 0.00 175.10 176.78 1tyr s PHE 95 N 0.73 -0.27 -0.05 5.22 -0.71 -0.71 -5.00 117.98 117.18 1tyr s PHE 95 Ca -0.08 -0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.60 1tyr s PHE 95 Cb -0.16 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1tyr s PHE 95 CO 0.01 -0.84 0.50 0.99 -1.34 0.00 0.00 175.22 174.53 1tyr s THR 96 N -3.82 5.06 0.13 -4.49 2.01 -1.26 -0.75 115.64 112.51 1tyr s THR 96 Ca 0.05 1.03 0.08 0.00 0.31 0.00 0.00 61.69 63.16 1tyr s THR 96 Cb -0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1tyr s THR 96 CO -0.08 0.41 -0.19 0.00 -0.69 0.00 0.00 174.62 174.07 1tyr s ALA 97 N -0.03 1.83 -1.29 7.40 0.00 -0.23 -4.79 121.76 124.64 1tyr s ALA 97 Ca 0.27 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1tyr s ALA 97 Cb -0.17 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.84 1tyr s ALA 97 CO 0.13 0.28 0.50 0.09 0.00 0.00 0.00 175.76 176.76 1tyr n ASN 98 N 0.73 -3.41 0.00 0.00 3.02 -1.26 -2.25 115.26 112.09 1tyr n ASN 98 Ca -0.17 -0.45 0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1tyr n ASN 98 Cb 0.55 -2.83 0.69 0.00 -0.61 0.00 0.00 39.78 37.58 1tyr n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1tyr n ASP 99 N -2.29 0.00 -1.06 6.41 5.75 -1.26 -2.82 116.55 121.27 1tyr n ASP 99 Ca 0.00 -0.20 0.04 0.00 -0.01 0.00 0.00 54.79 54.63 1tyr n ASP 99 Cb 0.53 -0.25 0.07 0.00 -1.03 0.00 0.00 41.12 40.44 1tyr n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1tyr n SER 100 N -1.25 1.10 0.00 -1.12 7.64 -1.26 -5.08 113.62 113.66 1tyr n SER 100 Ca 0.14 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1tyr n SER 100 Cb 0.20 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1tyr n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tyr n GLY 101 N -0.07 2.59 3.76 0.23 0.00 -1.13 -5.04 105.19 105.54 1tyr n GLY 101 Ca 0.09 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 1tyr n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tyr s PRO 102 N -2.57 3.77 0.21 1.61 0.02 -1.26 -4.27 135.00 132.50 1tyr s PRO 102 Ca 0.00 2.18 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 1tyr s PRO 102 Cb 0.00 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 1tyr s PRO 102 CO 0.00 -0.67 0.22 1.03 -0.33 0.00 0.00 177.00 177.25 1tyr s ARG 103 N -2.43 1.29 -0.13 5.54 1.81 -1.26 -4.47 118.95 119.30 1tyr s ARG 103 Ca 0.61 -1.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.03 1tyr s ARG 103 Cb -0.38 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1tyr s ARG 103 CO 0.49 -0.46 0.07 1.03 -0.68 0.00 0.00 175.30 175.75 1tyr s ARG 104 N -4.12 3.51 -0.05 3.54 0.52 -0.42 -4.87 118.95 117.06 1tyr s ARG 104 Ca 0.34 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.31 1tyr s ARG 104 Cb 0.05 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 1tyr s ARG 104 CO 0.11 0.58 -0.19 0.71 0.02 0.00 0.00 175.30 176.53 1tyr s TYR 105 N -0.48 1.87 -0.12 -0.53 1.51 0.20 -2.46 117.35 117.33 1tyr s TYR 105 Ca 0.10 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1tyr s TYR 105 Cb -0.12 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1tyr s TYR 105 CO 0.02 -0.20 -0.18 0.99 -1.11 0.00 0.00 175.55 175.08 1tyr s THR 106 N 0.06 2.59 -0.29 -0.71 2.01 0.61 -2.05 115.64 117.86 1tyr s THR 106 Ca -0.05 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 1tyr s THR 106 Cb -0.13 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1tyr s THR 106 CO 0.03 0.54 0.06 -0.63 -0.69 0.00 0.00 174.62 173.92 1tyr s ILE 107 N 0.44 3.72 0.01 1.82 -1.09 0.17 -1.35 121.20 124.92 1tyr s ILE 107 Ca -0.13 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 1tyr s ILE 107 Cb -0.17 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1tyr s ILE 107 CO 0.06 0.06 0.03 0.00 -1.23 0.00 0.00 174.94 173.85 1tyr s ALA 108 N 1.45 3.40 -0.01 9.38 0.00 -0.45 -1.63 121.76 133.89 1tyr s ALA 108 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1tyr s ALA 108 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1tyr s ALA 108 CO 0.01 0.67 -0.09 0.00 0.00 0.00 0.00 175.76 176.36 1tyr s ALA 109 N -1.16 0.73 -0.20 0.00 0.00 -0.60 -1.60 121.76 118.92 1tyr s ALA 109 Ca 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1tyr s ALA 109 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1tyr s ALA 109 CO 0.13 0.17 -0.10 -1.17 0.00 0.00 0.00 175.76 174.79 1tyr s LEU 110 N -0.15 2.64 0.00 0.00 2.96 -0.61 -0.46 118.68 123.06 1tyr s LEU 110 Ca 0.03 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1tyr s LEU 110 Cb -0.04 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1tyr s LEU 110 CO -0.00 -0.00 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.13 1tyr s LEU 111 N 1.35 2.80 0.07 -0.68 1.43 0.79 -2.24 118.68 122.20 1tyr s LEU 111 Ca 0.04 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1tyr s LEU 111 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1tyr s LEU 111 CO -0.06 0.29 -0.05 -0.44 0.23 0.00 0.00 176.35 176.32 1tyr s SER 112 N -1.22 0.83 0.37 2.29 0.01 -0.39 -1.37 113.70 114.23 1tyr s SER 112 Ca 0.14 -0.98 0.05 0.00 1.31 0.00 0.00 55.95 56.47 1tyr s SER 112 Cb -0.11 0.14 0.72 0.00 0.21 0.00 0.00 66.02 66.98 1tyr s SER 112 CO 0.04 -0.51 1.99 -0.65 0.41 0.00 0.00 173.24 174.52 1tyr h PRO 113 N 3.12 0.62 -0.18 12.44 0.11 -1.98 -2.84 132.00 143.29 1tyr h PRO 113 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tyr h PRO 113 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1tyr h PRO 113 CO 0.64 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.57 1tyr n TYR 114 N -4.41 0.37 -3.71 0.65 4.02 -1.26 -1.10 117.16 111.73 1tyr n TYR 114 Ca 0.04 -0.65 -0.12 0.00 -0.01 0.00 0.00 57.90 57.15 1tyr n TYR 114 Cb 0.11 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1tyr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tyr s SER 115 N -1.47 -0.20 -0.06 7.72 0.15 -1.07 -4.95 113.70 113.82 1tyr s SER 115 Ca 0.22 -0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 1tyr s SER 115 Cb 0.16 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1tyr s SER 115 CO 0.08 -0.64 0.38 -0.72 1.20 0.00 0.00 173.24 173.54 1tyr s TYR 116 N -2.53 -0.31 0.03 3.44 -0.85 -1.26 -1.26 117.35 114.61 1tyr s TYR 116 Ca -0.05 0.60 0.06 0.00 -0.52 0.00 0.00 57.07 57.16 1tyr s TYR 116 Cb -0.01 0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 1tyr s TYR 116 CO -0.03 -0.36 -0.16 0.45 -1.52 0.00 0.00 175.55 173.93 1tyr s SER 117 N -0.85 1.92 0.03 -0.18 0.15 -0.95 -4.99 113.70 108.82 1tyr s SER 117 Ca -0.09 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1tyr s SER 117 Cb -0.04 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1tyr s SER 117 CO 0.04 0.09 -0.08 0.28 1.20 0.00 0.00 173.24 174.76 1tyr s THR 118 N -0.76 0.64 0.05 6.45 -1.32 -1.26 -1.57 115.64 117.86 1tyr s THR 118 Ca 0.04 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 1tyr s THR 118 Cb -0.08 -0.62 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 1tyr s THR 118 CO 0.01 -0.12 -0.04 0.28 -2.21 0.00 0.00 174.62 172.54 1tyr s THR 119 N -0.83 0.34 0.06 5.08 -1.32 -0.63 -4.99 115.64 113.35 1tyr s THR 119 Ca -0.03 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.02 1tyr s THR 119 Cb -0.07 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 1tyr s THR 119 CO 0.00 -0.75 -0.19 0.00 -2.21 0.00 0.00 174.62 171.47 1tyr s ALA 120 N -2.85 1.63 -0.16 11.08 0.00 -1.26 -1.35 121.76 128.85 1tyr s ALA 120 Ca -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1tyr s ALA 120 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1tyr s ALA 120 CO -0.05 0.34 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 1tyr s VAL 121 N -0.93 1.92 -0.14 0.00 1.01 -0.46 -4.96 120.40 116.84 1tyr s VAL 121 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1tyr s VAL 121 Cb -0.09 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1tyr s VAL 121 CO 0.02 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1tyr s VAL 122 N 1.24 2.19 0.10 2.92 1.01 -1.26 -0.28 120.40 126.32 1tyr s VAL 122 Ca 0.03 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.17 1tyr s VAL 122 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1tyr s VAL 122 CO -0.10 0.54 -0.26 -0.89 0.00 0.00 0.00 175.10 174.40 1tyr s THR 123 N 0.75 2.11 -0.31 3.92 2.01 -1.03 -4.97 115.64 118.13 1tyr s THR 123 Ca -0.08 -1.60 -0.19 0.00 0.31 0.00 0.00 61.69 60.14 1tyr s THR 123 Cb -0.16 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1tyr s THR 123 CO -0.00 0.15 0.54 0.21 -0.69 0.00 0.00 174.62 174.83 1tyr s ASN 124 N -1.77 6.39 0.93 3.53 2.47 -1.26 -1.30 114.94 123.93 1tyr s ASN 124 Ca 0.12 0.26 -0.08 0.00 0.42 0.00 0.00 52.86 53.58 1tyr s ASN 124 Cb -0.10 -2.29 0.12 0.00 -1.45 0.00 0.00 41.25 37.53 1tyr s ASN 124 CO 0.04 -0.42 0.27 -0.81 -3.72 0.00 0.00 177.10 172.46 1tyr n PRO 125 N 5.72 -1.77 0.00 0.43 -0.04 -1.26 -4.98 135.00 133.10 1tyr n PRO 125 Ca -0.04 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1tyr n PRO 125 Cb 0.49 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1tyr n PRO 125 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1tyr n LYS 126 N -2.25 0.00 0.00 0.54 4.81 -1.26 -5.12 118.16 114.88 1tyr n LYS 126 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1tyr n LYS 126 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1tyr n LYS 126 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96