#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4n n GLY 2 N 0.00 2.73 3.65 3.17 0.00 -1.26 -5.15 105.19 108.33 3a4n n GLY 2 Ca 0.00 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 3a4n n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4n n ASP 3 N -2.13 1.75 -4.64 1.61 9.92 -1.26 -5.10 116.55 116.69 3a4n n ASP 3 Ca 0.01 -2.32 -0.35 0.00 -0.53 0.00 0.00 54.79 51.60 3a4n n ASP 3 Cb 0.20 -0.46 -0.10 0.00 -0.64 0.00 0.00 41.12 40.12 3a4n n ASP 3 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3a4n s ILE 4 N -2.53 4.21 -0.02 0.53 1.01 -1.26 -4.90 121.20 118.24 3a4n s ILE 4 Ca 0.59 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.99 3a4n s ILE 4 Cb -0.04 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3a4n s ILE 4 CO 0.38 0.57 -0.11 -0.32 0.00 0.00 0.00 174.94 175.47 3a4n s MET 5 N -0.57 0.98 -0.13 2.79 1.75 -1.26 -3.98 119.30 118.88 3a4n s MET 5 Ca 0.09 -0.37 -0.24 0.00 -1.25 0.00 0.00 55.69 53.93 3a4n s MET 5 Cb -0.12 -0.93 -0.03 0.00 2.84 0.00 0.00 34.83 36.60 3a4n s MET 5 CO 0.02 0.18 0.74 -1.17 -0.65 0.00 0.00 175.02 174.14 3a4n s LEU 6 N -0.04 4.23 -0.21 4.11 2.96 -0.67 -2.35 118.68 126.71 3a4n s LEU 6 Ca 0.00 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3a4n s LEU 6 Cb -0.07 -3.10 0.03 0.00 0.50 0.00 0.00 46.19 43.55 3a4n s LEU 6 CO 0.00 -0.26 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.00 3a4n s ILE 7 N 1.54 2.30 -0.27 6.68 1.01 0.23 -1.05 121.20 131.64 3a4n s ILE 7 Ca 0.36 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 3a4n s ILE 7 Cb -0.17 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3a4n s ILE 7 CO 0.14 0.34 0.07 -0.63 0.00 0.00 0.00 174.94 174.87 3a4n s ILE 8 N 1.26 4.11 0.38 2.92 1.01 -0.08 0.43 121.20 131.23 3a4n s ILE 8 Ca 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 3a4n s ILE 8 Cb -0.15 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3a4n s ILE 8 CO -0.09 0.23 0.69 -0.76 0.00 0.00 0.00 174.94 175.02 3a4n s LEU 9 N 1.56 3.88 -0.13 2.97 1.43 -0.88 0.29 118.68 127.80 3a4n s LEU 9 Ca 0.05 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 3a4n s LEU 9 Cb -0.16 -3.80 0.06 0.00 0.03 0.00 0.00 46.19 42.31 3a4n s LEU 9 CO 0.03 -0.36 0.58 0.28 0.23 0.00 0.00 176.35 177.11 3a4n s THR 10 N -2.34 0.01 0.00 5.49 -1.32 -0.74 -4.53 115.64 112.21 3a4n s THR 10 Ca 0.48 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.88 3a4n s THR 10 Cb -0.10 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 3a4n s THR 10 CO 0.33 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 3a4n n GLY 11 N 1.89 4.22 3.58 6.08 0.00 -0.97 -1.52 105.19 118.47 3a4n n GLY 11 Ca -0.17 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3a4n n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4n n LEU 12 N 0.00 2.27 -4.67 0.99 4.77 -1.26 -4.53 117.00 114.56 3a4n n LEU 12 Ca 0.00 0.45 -0.44 0.00 -0.03 0.00 0.00 56.01 55.98 3a4n n LEU 12 Cb 0.00 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.69 3a4n n LEU 12 CO 0.00 -2.59 0.95 -2.65 -1.33 0.00 0.00 177.39 171.76 3a4n n PRO 13 N -2.93 1.98 -0.56 3.23 -0.02 -1.26 -1.69 135.00 133.75 3a4n n PRO 13 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3a4n n PRO 13 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3a4n n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4n n GLY 14 N 1.74 0.98 0.25 -1.23 0.00 -1.26 -4.91 105.19 100.76 3a4n n GLY 14 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3a4n n GLY 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a4n h VAL 15 N 0.00 0.13 0.00 1.61 3.04 -1.63 -3.46 116.25 115.94 3a4n h VAL 15 Ca 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3a4n h VAL 15 Cb 0.00 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3a4n h VAL 15 CO 0.00 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.22 3a4n n GLY 16 N 0.28 1.54 0.36 3.17 0.00 -1.26 -4.83 105.19 104.46 3a4n n GLY 16 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3a4n n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a4n h LYS 17 N 0.54 0.74 -0.01 1.61 1.57 -1.90 -1.45 116.57 117.68 3a4n h LYS 17 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3a4n h LYS 17 Cb 0.00 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.15 3a4n h LYS 17 CO 0.00 0.49 -0.28 1.03 -0.57 0.00 0.00 179.45 180.12 3a4n h SER 18 N 0.76 0.26 -0.22 0.86 0.87 -1.95 -0.05 113.55 114.08 3a4n h SER 18 Ca 0.39 -0.76 0.02 0.00 -1.23 0.00 0.00 61.79 60.20 3a4n h SER 18 Cb 0.48 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3a4n h SER 18 CO -0.16 0.98 0.15 0.74 -0.53 0.00 0.00 176.83 178.02 3a4n h THR 19 N -0.45 1.02 -0.14 2.23 2.02 -1.96 -2.77 112.91 112.87 3a4n h THR 19 Ca -0.03 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3a4n h THR 19 Cb 1.02 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3a4n h THR 19 CO 0.06 0.04 -0.16 0.15 0.37 0.00 0.00 175.52 175.98 3a4n h PHE 20 N 0.23 0.43 -0.69 3.16 3.57 -1.07 -2.74 116.94 119.83 3a4n h PHE 20 Ca 0.09 -0.14 0.15 0.00 3.53 0.00 0.00 57.97 61.60 3a4n h PHE 20 Cb 0.07 -0.09 -0.12 0.00 2.79 0.00 0.00 35.95 38.60 3a4n h PHE 20 CO -0.00 0.77 -0.06 0.77 -2.23 0.00 0.00 178.31 177.56 3a4n h SER 21 N -0.03 -0.44 -0.05 0.41 0.02 -0.75 0.15 113.55 112.86 3a4n h SER 21 Ca 0.02 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3a4n h SER 21 Cb 0.71 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3a4n h SER 21 CO 0.04 -0.18 -0.02 0.11 -1.14 0.00 0.00 176.83 175.63 3a4n h LYS 22 N 0.06 0.10 -0.86 3.45 1.57 -1.50 0.31 116.57 119.71 3a4n h LYS 22 Ca 0.36 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.22 3a4n h LYS 22 Cb 0.59 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 3a4n h LYS 22 CO -0.65 0.48 0.47 -0.91 -0.57 0.00 0.00 179.45 178.28 3a4n h ASN 23 N -0.28 0.62 -0.18 0.86 2.35 -1.32 0.42 115.58 118.06 3a4n h ASN 23 Ca 0.01 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3a4n h ASN 23 Cb 0.45 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3a4n h ASN 23 CO 0.01 0.30 -0.28 0.25 -1.65 0.00 0.00 177.43 176.07 3a4n h LEU 24 N 0.72 0.55 -0.76 1.61 5.85 -0.89 -1.39 115.31 121.00 3a4n h LEU 24 Ca 0.44 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3a4n h LEU 24 Cb 0.54 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3a4n h LEU 24 CO -0.31 0.97 0.48 0.00 -0.34 0.00 0.00 178.44 179.23 3a4n h ALA 25 N 0.60 0.96 -0.79 1.25 0.00 0.24 -1.94 119.26 119.57 3a4n h ALA 25 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a4n h ALA 25 Cb 0.85 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3a4n h ALA 25 CO 0.06 0.41 0.52 -0.22 0.00 0.00 0.00 179.25 180.02 3a4n h LYS 26 N 1.03 1.01 0.04 0.00 3.64 -0.02 -1.20 116.57 121.07 3a4n h LYS 26 Ca 0.27 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.37 3a4n h LYS 26 Cb -0.07 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 3a4n h LYS 26 CO -0.05 0.67 -1.04 0.97 -2.27 0.00 0.00 179.45 177.73 3a4n h ILE 27 N 1.04 1.62 -0.09 2.00 -0.00 -0.85 -2.65 117.51 118.58 3a4n h ILE 27 Ca 0.30 -3.18 -0.18 0.00 -0.00 0.00 0.00 64.86 61.81 3a4n h ILE 27 Cb -0.07 2.80 -0.01 0.00 -0.00 0.00 0.00 36.82 39.55 3a4n h ILE 27 CO -0.08 0.91 -0.70 -0.07 -0.00 0.00 0.00 178.15 178.21 3a4n h LEU 28 N 0.03 0.47 -0.84 2.19 3.38 -1.24 -2.80 115.31 116.51 3a4n h LEU 28 Ca -0.05 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3a4n h LEU 28 Cb 1.77 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 3a4n h LEU 28 CO 0.15 1.03 -0.03 0.77 0.09 0.00 0.00 178.44 180.45 3a4n h SER 29 N 0.28 0.00 0.78 -0.43 4.64 -1.21 -0.39 113.55 117.22 3a4n h SER 29 Ca -0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 3a4n h SER 29 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3a4n h SER 29 CO 0.12 0.03 -0.34 0.11 -0.87 0.00 0.00 176.83 175.88 3a4n h LYS 30 N 0.00 0.00 -0.72 4.77 1.57 -1.21 -1.30 116.57 119.68 3a4n h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a4n h LYS 30 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3a4n h LYS 30 CO 0.00 0.34 0.00 0.09 -0.57 0.00 0.00 179.45 179.31 3a4n n ASN 31 N -3.57 2.30 -1.75 0.86 3.02 -0.95 -4.90 115.26 110.28 3a4n n ASN 31 Ca -0.00 -2.24 -0.17 0.00 -0.03 0.00 0.00 54.58 52.13 3a4n n ASN 31 Cb 0.47 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3a4n n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3a4n n ASN 32 N 0.21 -5.07 -4.81 6.41 5.15 -0.49 -5.00 115.26 111.66 3a4n n ASN 32 Ca 0.09 0.13 -0.38 0.00 -0.60 0.00 0.00 54.58 53.82 3a4n n ASN 32 Cb 0.49 -4.14 -0.06 0.00 -0.53 0.00 0.00 39.78 35.54 3a4n n ASN 32 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a4n s ILE 33 N -2.79 4.76 -0.28 -1.44 -1.09 -0.20 -4.94 121.20 115.23 3a4n s ILE 33 Ca 0.00 1.19 -0.23 0.00 -2.23 0.00 0.00 60.65 59.38 3a4n s ILE 33 Cb 0.00 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 3a4n s ILE 33 CO 0.00 0.54 0.74 -1.81 -1.23 0.00 0.00 174.94 173.18 3a4n s ASP 34 N -1.13 6.66 0.01 3.58 1.01 -1.26 -3.89 116.67 121.65 3a4n s ASP 34 Ca 0.29 0.74 -0.00 0.00 0.71 0.00 0.00 52.55 54.29 3a4n s ASP 34 Cb -0.19 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3a4n s ASP 34 CO 0.19 -0.51 -0.01 0.54 0.21 0.00 0.00 175.17 175.59 3a4n s VAL 35 N 2.77 0.04 -0.01 -1.27 0.11 -1.26 -1.21 120.40 119.57 3a4n s VAL 35 Ca 0.30 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3a4n s VAL 35 Cb -0.15 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3a4n s VAL 35 CO 0.10 -0.18 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.07 3a4n s ILE 36 N -0.54 0.84 -0.19 7.04 2.07 -0.88 -4.98 121.20 124.57 3a4n s ILE 36 Ca -0.06 -0.44 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 3a4n s ILE 36 Cb -0.04 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3a4n s ILE 36 CO -0.00 0.24 0.04 0.68 -1.91 0.00 0.00 174.94 173.99 3a4n s VAL 37 N -0.17 4.51 -0.08 4.00 -7.23 -1.26 -1.10 120.40 119.08 3a4n s VAL 37 Ca 0.03 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 3a4n s VAL 37 Cb -0.05 -3.04 0.01 0.00 0.56 0.00 0.00 36.38 33.86 3a4n s VAL 37 CO -0.00 0.44 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.32 3a4n s LEU 38 N 0.60 1.77 0.05 1.32 1.43 -0.47 -4.96 118.68 118.42 3a4n s LEU 38 Ca 0.02 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3a4n s LEU 38 Cb -0.13 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3a4n s LEU 38 CO 0.02 0.07 -0.03 -0.83 0.23 0.00 0.00 176.35 175.80 3a4n s GLY 39 N 0.59 0.45 0.55 -3.19 0.00 -1.26 -0.90 107.32 103.55 3a4n s GLY 39 Ca -0.16 -1.12 0.33 0.00 0.00 0.00 0.00 44.72 43.77 3a4n s GLY 39 CO 0.05 -1.23 2.05 1.48 0.00 0.00 0.00 173.10 175.45 3a4n h SER 40 N 3.36 0.00 0.42 1.64 4.64 -1.93 -2.54 113.55 119.15 3a4n h SER 40 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3a4n h SER 40 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3a4n h SER 40 CO 0.62 0.06 0.00 0.44 -0.87 0.00 0.00 176.83 177.08 3a4n h ASP 41 N 0.00 0.00 -0.39 4.97 3.32 -1.96 -1.81 116.42 120.55 3a4n h ASP 41 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3a4n h ASP 41 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3a4n h ASP 41 CO 0.01 0.00 0.02 0.25 -1.72 0.00 0.00 179.24 177.79 3a4n h LEU 42 N 0.00 0.66 0.03 1.55 5.85 -1.87 -1.93 115.31 119.60 3a4n h LEU 42 Ca 0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3a4n h LEU 42 Cb 0.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3a4n h LEU 42 CO 0.00 0.79 -0.02 0.40 -0.34 0.00 0.00 178.44 179.27 3a4n h ILE 43 N 0.50 1.32 -0.75 4.05 1.08 -1.68 -3.30 117.51 118.73 3a4n h ILE 43 Ca 0.11 -1.75 0.17 0.00 -0.39 0.00 0.00 64.86 63.00 3a4n h ILE 43 Cb 0.44 2.39 -0.12 0.00 -3.07 0.00 0.00 36.82 36.46 3a4n h ILE 43 CO 0.02 0.41 0.15 -0.09 -0.69 0.00 0.00 178.15 177.94 3a4n h ARG 44 N -0.89 0.22 -0.01 2.37 2.43 -1.40 0.80 114.38 117.90 3a4n h ARG 44 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3a4n h ARG 44 Cb 0.70 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3a4n h ARG 44 CO 0.01 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 179.01 3a4n n GLU 45 N -5.20 1.16 0.12 0.20 1.02 -0.73 -2.65 120.64 114.57 3a4n n GLU 45 Ca 0.14 -0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 3a4n n GLU 45 Cb 0.48 -1.44 0.17 0.00 -0.02 0.00 0.00 31.44 30.62 3a4n n GLU 45 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3a4n h SER 46 N 0.54 0.00 -3.83 1.62 0.02 -0.91 -3.44 113.55 107.55 3a4n h SER 46 Ca 0.00 -0.06 -0.48 0.00 -0.84 0.00 0.00 61.79 60.41 3a4n h SER 46 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3a4n h SER 46 CO 0.00 0.03 0.30 -0.36 -1.14 0.00 0.00 176.83 175.66 3a4n s PHE 47 N -3.22 3.67 -0.14 3.45 0.08 -1.09 -4.99 117.98 115.75 3a4n s PHE 47 Ca 0.05 1.70 0.29 0.00 0.12 0.00 0.00 56.93 59.10 3a4n s PHE 47 Cb 0.10 -2.86 0.93 0.00 -0.57 0.00 0.00 43.02 40.62 3a4n s PHE 47 CO 0.70 0.22 1.82 -1.00 -0.10 0.00 0.00 175.22 176.87 3a4n h PRO 48 N 3.17 0.00 -4.16 0.24 0.13 -1.88 -3.45 132.00 126.06 3a4n h PRO 48 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3a4n h PRO 48 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3a4n h PRO 48 CO 0.65 0.00 -0.60 0.14 -0.23 0.00 0.00 178.00 177.96 3a4n s VAL 49 N -3.47 0.18 -0.12 1.56 -7.23 -1.26 -5.15 120.40 104.91 3a4n s VAL 49 Ca 0.04 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 3a4n s VAL 49 Cb 0.07 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3a4n s VAL 49 CO 0.59 -0.84 0.23 0.86 -0.31 0.00 0.00 175.10 175.64 3a4n s TRP 50 N -3.92 3.55 -0.01 2.82 -0.00 -1.26 -5.05 118.94 115.06 3a4n s TRP 50 Ca 0.09 0.60 0.02 0.00 -0.00 0.00 0.00 56.10 56.81 3a4n s TRP 50 Cb 0.07 -2.16 0.00 0.00 -0.00 0.00 0.00 33.47 31.39 3a4n s TRP 50 CO -0.08 0.50 -0.07 0.15 -0.00 0.00 0.00 176.95 177.45 3a4n s LYS 51 N -0.38 0.67 0.46 5.86 1.02 -1.26 -5.02 119.74 121.10 3a4n s LYS 51 Ca 0.16 -0.24 0.20 0.00 0.02 0.00 0.00 55.97 56.11 3a4n s LYS 51 Cb -0.13 -0.65 1.19 0.00 -0.52 0.00 0.00 37.83 37.71 3a4n s LYS 51 CO 0.05 0.11 1.90 1.49 -0.92 0.00 0.00 175.35 177.98 3a4n h GLU 52 N 6.22 0.28 0.00 1.68 4.22 -1.99 -1.27 114.58 123.71 3a4n h GLU 52 Ca -0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.10 3a4n h GLU 52 Cb 1.18 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3a4n h GLU 52 CO 0.49 0.18 -0.04 1.57 -2.18 0.00 0.00 179.01 179.04 3a4n h LYS 53 N 0.28 0.00 0.00 1.92 2.10 -2.03 -2.30 116.57 116.55 3a4n h LYS 53 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3a4n h LYS 53 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3a4n h LYS 53 CO -0.11 0.04 0.00 0.66 -2.00 0.00 0.00 179.45 178.04 3a4n n TYR 54 N -3.24 0.81 -0.07 0.07 4.01 -0.48 -4.22 117.16 114.04 3a4n n TYR 54 Ca -0.01 0.27 -0.06 0.00 -0.16 0.00 0.00 57.90 57.94 3a4n n TYR 54 Cb 0.22 -0.94 0.13 0.00 -0.31 0.00 0.00 39.34 38.43 3a4n n TYR 54 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3a4n h GLU 55 N 0.00 0.72 -0.40 -0.72 4.39 -1.54 0.90 114.58 117.92 3a4n h GLU 55 Ca 0.00 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 3a4n h GLU 55 Cb 0.54 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3a4n h GLU 55 CO 0.00 0.85 0.02 0.93 -1.16 0.00 0.00 179.01 179.65 3a4n h GLU 56 N 0.64 0.62 -0.23 2.33 4.39 -1.80 0.03 114.58 120.57 3a4n h GLU 56 Ca 0.10 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 3a4n h GLU 56 Cb 0.66 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3a4n h GLU 56 CO 0.05 0.63 -0.50 0.35 -1.16 0.00 0.00 179.01 178.38 3a4n h PHE 57 N 0.60 0.94 -0.12 4.33 3.57 -1.47 -1.84 116.94 122.94 3a4n h PHE 57 Ca 0.13 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3a4n h PHE 57 Cb 0.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3a4n h PHE 57 CO 0.01 1.15 0.03 0.82 -2.23 0.00 0.00 178.31 178.09 3a4n h ILE 58 N 0.47 1.20 0.72 1.41 2.04 -0.65 -1.42 117.51 121.27 3a4n h ILE 58 Ca 0.00 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3a4n h ILE 58 Cb 1.11 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3a4n h ILE 58 CO 0.11 0.18 -0.46 0.50 0.00 0.00 0.00 178.15 178.48 3a4n h LYS 59 N -0.00 -1.07 -0.33 2.37 3.64 -1.01 -1.31 116.57 118.86 3a4n h LYS 59 Ca 0.04 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3a4n h LYS 59 Cb 0.25 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 3a4n h LYS 59 CO 0.00 -0.71 -0.12 0.87 -2.27 0.00 0.00 179.45 177.22 3a4n h LYS 60 N -1.11 -0.05 -0.56 1.90 1.57 -1.38 -0.82 116.57 116.12 3a4n h LYS 60 Ca -0.09 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3a4n h LYS 60 Cb 0.90 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 3a4n h LYS 60 CO 0.08 -0.03 0.33 0.77 -0.57 0.00 0.00 179.45 180.03 3a4n h SER 61 N -0.05 0.52 -0.82 0.86 0.02 -1.22 0.88 113.55 113.74 3a4n h SER 61 Ca 0.17 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3a4n h SER 61 Cb 0.30 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3a4n h SER 61 CO -0.37 0.36 0.51 0.74 -1.14 0.00 0.00 176.83 176.93 3a4n h THR 62 N 0.64 1.22 -0.68 -2.27 2.02 -0.79 -1.28 112.91 111.77 3a4n h THR 62 Ca 0.23 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3a4n h THR 62 Cb 0.05 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 3a4n h THR 62 CO -0.11 0.23 0.37 1.88 0.37 0.00 0.00 175.52 178.25 3a4n h TYR 63 N 1.12 0.94 -0.41 3.16 0.05 -0.29 -1.57 116.97 119.97 3a4n h TYR 63 Ca 0.30 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 3a4n h TYR 63 Cb -0.07 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 3a4n h TYR 63 CO -0.01 0.67 -0.10 0.00 -1.05 0.00 0.00 178.16 177.68 3a4n h ARG 64 N 0.94 0.72 -0.02 4.88 3.08 -0.49 0.36 114.38 123.85 3a4n h ARG 64 Ca 0.24 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a4n h ARG 64 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3a4n h ARG 64 CO -0.04 0.80 0.01 -0.07 -1.07 0.00 0.00 179.97 179.60 3a4n h LEU 65 N 0.66 0.03 -0.65 3.04 3.38 -1.05 -1.73 115.31 118.99 3a4n h LEU 65 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a4n h LEU 65 Cb 0.55 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3a4n h LEU 65 CO 0.03 0.17 0.35 0.40 0.09 0.00 0.00 178.44 179.49 3a4n h ILE 66 N -0.11 1.21 -0.08 1.22 2.04 -0.97 0.23 117.51 121.04 3a4n h ILE 66 Ca 0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3a4n h ILE 66 Cb 0.15 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3a4n h ILE 66 CO -0.00 0.23 0.03 -0.78 0.00 0.00 0.00 178.15 177.63 3a4n h ASP 67 N 0.89 0.12 -0.65 1.72 1.82 -0.89 -0.76 116.42 118.66 3a4n h ASP 67 Ca 0.23 -0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.65 3a4n h ASP 67 Cb 0.04 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 3a4n h ASP 67 CO -0.04 0.26 0.22 -1.28 -1.61 0.00 0.00 179.24 176.80 3a4n h SER 68 N -0.03 0.93 -0.24 2.28 0.87 -1.13 -2.97 113.55 113.26 3a4n h SER 68 Ca 0.03 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 3a4n h SER 68 Cb 0.18 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3a4n h SER 68 CO -0.00 0.88 -0.07 0.00 -0.53 0.00 0.00 176.83 177.10 3a4n h ALA 69 N 1.09 1.20 0.00 6.23 0.00 -0.74 -3.00 119.26 124.04 3a4n h ALA 69 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a4n h ALA 69 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a4n h ALA 69 CO -0.01 0.52 0.00 -0.11 0.00 0.00 0.00 179.25 179.65 3a4n n LEU 70 N -4.21 0.18 0.07 0.00 7.94 -0.31 -0.49 117.00 120.18 3a4n n LEU 70 Ca 0.01 0.55 0.13 0.00 -1.11 0.00 0.00 56.01 55.59 3a4n n LEU 70 Cb 0.31 -0.53 0.46 0.00 0.53 0.00 0.00 43.42 44.20 3a4n n LEU 70 CO 0.41 -0.36 0.89 0.29 -1.11 0.00 0.00 177.39 177.51 3a4n n LYS 71 N -1.70 0.18 0.00 1.96 5.02 -1.13 -4.32 118.16 118.17 3a4n n LYS 71 Ca 0.03 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3a4n n LYS 71 Cb 0.17 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3a4n n LYS 71 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3a4n n ASN 72 N -2.02 2.47 -4.08 4.39 3.02 -0.46 -5.12 115.26 113.47 3a4n n ASN 72 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 3a4n n ASN 72 Cb 0.40 0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 39.87 3a4n n ASN 72 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a4n s TYR 73 N -1.15 0.69 0.52 3.10 2.02 0.36 -4.95 117.35 117.92 3a4n s TYR 73 Ca 0.00 -0.58 -0.21 0.00 -0.37 0.00 0.00 57.07 55.91 3a4n s TYR 73 Cb 0.00 -0.41 -0.08 0.00 -0.40 0.00 0.00 41.96 41.07 3a4n s TYR 73 CO 0.00 -0.11 0.86 0.91 -1.57 0.00 0.00 175.55 175.65 3a4n n TRP 74 N 1.19 0.55 -4.56 2.71 7.02 -0.35 -4.22 117.44 119.79 3a4n n TRP 74 Ca -0.21 0.49 -0.24 0.00 -1.02 0.00 0.00 57.50 56.52 3a4n n TRP 74 Cb 0.56 -2.12 -0.16 0.00 -2.42 0.00 0.00 31.31 27.16 3a4n n TRP 74 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3a4n s VAL 75 N -1.47 1.08 -0.26 -0.99 1.01 -0.99 -2.06 120.40 116.72 3a4n s VAL 75 Ca 0.69 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3a4n s VAL 75 Cb -0.49 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3a4n s VAL 75 CO 0.53 0.34 0.14 -0.63 0.00 0.00 0.00 175.10 175.48 3a4n s ILE 76 N 0.61 4.92 -0.47 2.22 1.01 -0.26 0.74 121.20 129.97 3a4n s ILE 76 Ca -0.13 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 3a4n s ILE 76 Cb -0.15 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.04 3a4n s ILE 76 CO 0.03 0.29 0.59 -0.69 0.00 0.00 0.00 174.94 175.16 3a4n s VAL 77 N 1.63 4.91 -1.24 2.92 1.01 0.17 -1.37 120.40 128.44 3a4n s VAL 77 Ca 0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 3a4n s VAL 77 Cb -0.15 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.18 3a4n s VAL 77 CO 0.08 -0.66 1.57 -0.67 0.00 0.00 0.00 175.10 175.42 3a4n n ASP 78 N 6.07 5.17 -4.07 3.32 2.03 -0.08 -2.07 116.55 126.92 3a4n n ASP 78 Ca -0.05 -3.01 -0.09 0.00 0.52 0.00 0.00 54.79 52.16 3a4n n ASP 78 Cb 0.47 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 3a4n n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3a4n s ASP 79 N 2.34 0.55 0.16 1.67 1.01 -1.26 -4.43 116.67 116.72 3a4n s ASP 79 Ca 0.42 -0.80 -0.16 0.00 0.71 0.00 0.00 52.55 52.72 3a4n s ASP 79 Cb 0.01 0.14 0.12 0.00 1.01 0.00 0.00 42.92 44.20 3a4n s ASP 79 CO 0.01 -0.45 1.20 0.41 0.21 0.00 0.00 175.17 176.55 3a4n n THR 80 N 0.68 -0.44 -4.01 -1.27 -1.04 -1.26 -4.09 114.28 102.84 3a4n n THR 80 Ca -0.18 1.83 -0.32 0.00 -2.04 0.00 0.00 64.05 63.35 3a4n n THR 80 Cb 0.58 -2.38 0.01 0.00 -1.82 0.00 0.00 70.33 66.72 3a4n n THR 80 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3a4n n ASN 81 N -5.09 -4.16 -0.20 8.00 5.03 -1.26 -2.28 115.26 115.29 3a4n n ASN 81 Ca 0.06 -0.86 0.30 0.00 0.87 0.00 0.00 54.58 54.95 3a4n n ASN 81 Cb 0.28 -3.51 0.73 0.00 -1.02 0.00 0.00 39.78 36.26 3a4n n ASN 81 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3a4n h TYR 82 N -1.89 0.00 -4.13 3.10 3.20 -1.94 -3.43 116.97 111.88 3a4n h TYR 82 Ca -0.59 0.00 -0.69 0.00 3.14 0.00 0.00 58.73 60.59 3a4n h TYR 82 Cb 1.38 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 39.39 3a4n h TYR 82 CO 0.59 0.00 -0.81 0.71 -1.64 0.00 0.00 178.16 177.01 3a4n s TYR 83 N -4.96 2.59 0.02 -3.82 1.51 -1.26 -4.59 117.35 106.84 3a4n s TYR 83 Ca -0.05 -0.31 0.32 0.00 -1.01 0.00 0.00 57.07 56.03 3a4n s TYR 83 Cb 0.22 -1.61 1.35 0.00 -0.11 0.00 0.00 41.96 41.81 3a4n s TYR 83 CO 0.77 0.07 1.95 -2.95 -1.11 0.00 0.00 175.55 174.28 3a4n h ASN 84 N 5.53 0.00 -0.72 2.29 7.08 -1.91 -1.32 115.58 126.53 3a4n h ASN 84 Ca -0.43 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 52.86 3a4n h ASN 84 Cb 1.15 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.33 3a4n h ASN 84 CO 0.50 0.00 0.41 0.77 -2.08 0.00 0.00 177.43 177.02 3a4n h SER 85 N 0.00 0.60 0.13 6.14 4.64 -1.95 0.11 113.55 123.23 3a4n h SER 85 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3a4n h SER 85 Cb 0.45 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3a4n h SER 85 CO 0.00 0.38 -0.06 0.24 -0.87 0.00 0.00 176.83 176.52 3a4n h MET 86 N 0.74 -0.17 -0.64 4.77 2.86 -1.60 -1.79 114.93 119.09 3a4n h MET 86 Ca 0.32 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 3a4n h MET 86 Cb 0.21 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3a4n h MET 86 CO -0.19 0.02 0.43 0.00 1.06 0.00 0.00 176.91 178.22 3a4n h ARG 87 N -0.34 0.71 -0.25 1.72 3.08 -1.41 -1.49 114.38 116.40 3a4n h ARG 87 Ca -0.02 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3a4n h ARG 87 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3a4n h ARG 87 CO 0.03 0.47 0.02 -0.09 -1.07 0.00 0.00 179.97 179.32 3a4n h ARG 88 N 0.73 0.10 0.15 0.04 2.43 -0.66 0.02 114.38 117.18 3a4n h ARG 88 Ca 0.26 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3a4n h ARG 88 Cb 0.13 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3a4n h ARG 88 CO -0.08 0.06 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.82 3a4n h ASP 89 N 0.10 -0.49 -0.56 -3.80 3.32 -0.60 0.23 116.42 114.61 3a4n h ASP 89 Ca 0.12 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.33 3a4n h ASP 89 Cb 0.14 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.77 3a4n h ASP 89 CO -0.18 -0.27 -0.03 -0.07 -1.72 0.00 0.00 179.24 176.97 3a4n h LEU 90 N -0.38 -0.31 -0.64 1.55 3.38 -1.24 -2.43 115.31 115.24 3a4n h LEU 90 Ca 0.01 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3a4n h LEU 90 Cb 0.37 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3a4n h LEU 90 CO -0.07 -0.12 0.40 0.40 0.09 0.00 0.00 178.44 179.15 3a4n h ILE 91 N 0.09 1.11 -0.04 1.22 2.04 -0.27 -1.47 117.51 120.19 3a4n h ILE 91 Ca 0.29 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3a4n h ILE 91 Cb 0.45 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3a4n h ILE 91 CO -0.50 0.15 0.11 0.78 0.00 0.00 0.00 178.15 178.69 3a4n h ASN 92 N 0.81 0.00 0.18 1.72 2.35 -0.11 0.26 115.58 120.78 3a4n h ASN 92 Ca 0.25 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.73 3a4n h ASN 92 Cb -0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.37 3a4n h ASN 92 CO -0.09 0.00 -1.11 0.40 -1.65 0.00 0.00 177.43 174.98 3a4n h ILE 93 N 0.00 1.33 -0.52 2.81 2.04 -0.90 -0.61 117.51 121.66 3a4n h ILE 93 Ca 0.02 -2.44 -0.09 0.00 1.00 0.00 0.00 64.86 63.35 3a4n h ILE 93 Cb 0.24 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3a4n h ILE 93 CO -0.00 0.74 -0.04 0.00 0.00 0.00 0.00 178.15 178.85 3a4n h ALA 94 N 0.46 0.70 -0.74 1.87 0.00 -0.93 -2.76 119.26 117.86 3a4n h ALA 94 Ca -0.14 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3a4n h ALA 94 Cb 1.77 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 3a4n h ALA 94 CO 0.21 0.55 0.47 -0.22 0.00 0.00 0.00 179.25 180.25 3a4n h LYS 95 N 0.80 0.88 -0.48 0.00 3.64 -0.55 0.21 116.57 121.07 3a4n h LYS 95 Ca 0.14 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3a4n h LYS 95 Cb 0.57 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 3a4n h LYS 95 CO 0.03 0.58 0.05 -0.22 -2.27 0.00 0.00 179.45 177.62 3a4n h LYS 96 N 0.91 0.17 -0.62 1.90 3.64 -0.82 -2.34 116.57 119.41 3a4n h LYS 96 Ca 0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3a4n h LYS 96 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3a4n h LYS 96 CO -0.11 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3a4n n TYR 97 N -5.17 1.43 -3.48 1.91 4.01 -0.99 -4.97 117.16 109.90 3a4n n TYR 97 Ca 0.05 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.98 3a4n n TYR 97 Cb 0.25 -0.24 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3a4n n TYR 97 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3a4n n ASN 98 N 1.01 -2.97 -4.64 7.72 4.05 0.63 -4.99 115.26 116.07 3a4n n ASN 98 Ca 0.25 -0.61 -0.29 0.00 0.45 0.00 0.00 54.58 54.38 3a4n n ASN 98 Cb 0.88 -5.07 -0.08 0.00 1.23 0.00 0.00 39.78 36.73 3a4n n ASN 98 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3a4n s LYS 99 N -5.59 2.37 0.88 1.20 -0.14 -0.52 -4.88 119.74 113.06 3a4n s LYS 99 Ca 0.13 -0.98 -0.11 0.00 -1.36 0.00 0.00 55.97 53.65 3a4n s LYS 99 Cb -0.06 -2.41 0.13 0.00 -1.68 0.00 0.00 37.83 33.81 3a4n s LYS 99 CO 0.73 0.50 1.16 -0.80 -0.76 0.00 0.00 175.35 176.18 3a4n s ASN 100 N -2.48 3.14 0.09 2.83 0.01 -1.26 -4.55 114.94 112.72 3a4n s ASN 100 Ca 0.25 2.21 -0.06 0.00 -0.71 0.00 0.00 52.86 54.55 3a4n s ASN 100 Cb -0.11 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 3a4n s ASN 100 CO 0.17 -2.96 0.13 -0.72 -1.51 0.00 0.00 177.10 172.20 3a4n s TYR 101 N -2.56 0.37 -0.09 2.20 1.13 -1.26 -1.67 117.35 115.48 3a4n s TYR 101 Ca 0.68 -0.82 -0.04 0.00 -1.41 0.00 0.00 57.07 55.48 3a4n s TYR 101 Cb -0.24 -0.20 0.05 0.00 -1.10 0.00 0.00 41.96 40.47 3a4n s TYR 101 CO 0.56 -0.52 0.19 0.00 -2.51 0.00 0.00 175.55 173.27 3a4n s ALA 102 N -3.92 -0.34 -0.03 9.51 0.00 -0.21 -4.94 121.76 121.83 3a4n s ALA 102 Ca 0.10 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 3a4n s ALA 102 Cb 0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3a4n s ALA 102 CO -0.08 -0.41 0.60 0.42 0.00 0.00 0.00 175.76 176.29 3a4n s ILE 103 N 1.84 4.97 -0.22 0.00 1.01 -1.26 -0.91 121.20 126.64 3a4n s ILE 103 Ca -0.03 1.24 0.01 0.00 0.00 0.00 0.00 60.65 61.88 3a4n s ILE 103 Cb -0.12 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.47 3a4n s ILE 103 CO -0.07 0.37 -0.09 -0.63 0.00 0.00 0.00 174.94 174.53 3a4n s ILE 104 N 0.10 1.71 -0.38 2.92 1.01 0.15 -0.58 121.20 126.12 3a4n s ILE 104 Ca 0.32 -1.20 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 3a4n s ILE 104 Cb -0.18 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3a4n s ILE 104 CO 0.16 0.04 0.67 -0.47 0.00 0.00 0.00 174.94 175.35 3a4n s TYR 105 N 1.34 3.11 -0.11 3.97 5.04 -0.72 -1.78 117.35 128.20 3a4n s TYR 105 Ca -0.04 0.29 -0.11 0.00 -2.44 0.00 0.00 57.07 54.76 3a4n s TYR 105 Cb -0.18 -3.27 -0.05 0.00 0.35 0.00 0.00 41.96 38.82 3a4n s TYR 105 CO -0.07 -0.72 0.26 -0.51 -1.34 0.00 0.00 175.55 173.16 3a4n s LEU 106 N 2.85 4.35 0.21 6.97 1.43 -0.57 -0.23 118.68 133.68 3a4n s LEU 106 Ca 0.26 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 3a4n s LEU 106 Cb -0.14 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 3a4n s LEU 106 CO 0.17 0.27 -0.04 -0.54 0.23 0.00 0.00 176.35 176.43 3a4n s LYS 107 N -0.43 1.27 -0.13 1.70 1.02 0.42 -4.50 119.74 119.08 3a4n s LYS 107 Ca 0.17 -1.61 -0.33 0.00 0.02 0.00 0.00 55.97 54.22 3a4n s LYS 107 Cb -0.13 -0.69 0.13 0.00 -0.52 0.00 0.00 37.83 36.62 3a4n s LYS 107 CO 0.06 -0.02 1.15 0.00 -0.92 0.00 0.00 175.35 175.61 3a4n s ALA 108 N -3.34 -2.03 0.62 5.17 0.00 -1.26 -2.61 121.76 118.32 3a4n s ALA 108 Ca 0.25 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 3a4n s ALA 108 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3a4n s ALA 108 CO 0.06 -0.66 1.03 -1.54 0.00 0.00 0.00 175.76 174.65 3a4n s SER 109 N -2.32 6.16 0.14 0.00 1.04 -1.26 -4.91 113.70 112.55 3a4n s SER 109 Ca 0.09 1.46 -0.20 0.00 0.48 0.00 0.00 55.95 57.79 3a4n s SER 109 Cb -0.01 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.64 3a4n s SER 109 CO -0.05 -0.92 1.69 0.25 0.98 0.00 0.00 173.24 175.19 3a4n h LEU 110 N -0.24 -0.28 -1.76 2.42 7.12 -2.00 -1.90 115.31 118.66 3a4n h LEU 110 Ca -0.44 0.08 0.17 0.00 0.13 0.00 0.00 57.88 57.82 3a4n h LEU 110 Cb 1.19 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.46 3a4n h LEU 110 CO 0.61 -0.10 0.49 0.44 -0.13 0.00 0.00 178.44 179.74 3a4n h ASP 111 N -0.03 0.21 -0.01 1.25 3.32 -1.99 0.15 116.42 119.34 3a4n h ASP 111 Ca 0.12 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 3a4n h ASP 111 Cb 0.21 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3a4n h ASP 111 CO -0.27 0.11 -0.57 0.58 -1.72 0.00 0.00 179.24 177.37 3a4n h VAL 112 N 0.23 1.43 -0.52 -1.35 2.07 -1.75 -1.88 116.25 114.48 3a4n h VAL 112 Ca 0.34 -2.05 0.06 0.00 0.82 0.00 0.00 66.70 65.87 3a4n h VAL 112 Cb 1.03 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 3a4n h VAL 112 CO -0.07 0.60 0.22 -0.07 0.02 0.00 0.00 177.57 178.27 3a4n h LEU 113 N -0.13 0.27 -0.89 2.57 3.38 -0.62 0.51 115.31 120.41 3a4n h LEU 113 Ca -0.07 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a4n h LEU 113 Cb 1.28 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3a4n h LEU 113 CO 0.11 0.19 0.57 0.40 0.09 0.00 0.00 178.44 179.80 3a4n h ILE 114 N 0.43 1.23 -0.41 1.22 1.08 -0.77 0.11 117.51 120.40 3a4n h ILE 114 Ca 0.24 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 64.18 3a4n h ILE 114 Cb 0.22 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 3a4n h ILE 114 CO -0.22 0.23 -0.10 0.03 -0.69 0.00 0.00 178.15 177.41 3a4n h ARG 115 N 1.21 0.80 -0.90 2.37 3.08 -0.46 0.67 114.38 121.14 3a4n h ARG 115 Ca 0.32 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3a4n h ARG 115 Cb -0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 3a4n h ARG 115 CO -0.07 0.92 0.54 0.00 -1.07 0.00 0.00 179.97 180.29 3a4n h ARG 116 N 0.62 1.23 0.65 0.04 3.08 -0.55 0.46 114.38 119.90 3a4n h ARG 116 Ca 0.10 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3a4n h ARG 116 Cb 0.63 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 30.43 3a4n h ARG 116 CO 0.04 0.86 -0.31 -0.97 -1.07 0.00 0.00 179.97 178.52 3a4n h ASN 117 N 1.24 -0.74 -0.82 7.04 -1.24 -0.53 -1.72 115.58 118.81 3a4n h ASN 117 Ca 0.32 -0.01 0.18 0.00 0.71 0.00 0.00 56.30 57.51 3a4n h ASN 117 Cb -0.05 0.19 -0.11 0.00 0.73 0.00 0.00 38.32 39.08 3a4n h ASN 117 CO -0.06 -0.46 0.31 0.40 -1.29 0.00 0.00 177.43 176.33 3a4n h ILE 118 N -1.00 0.53 0.00 2.57 2.04 -0.73 0.37 117.51 121.30 3a4n h ILE 118 Ca -0.09 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3a4n h ILE 118 Cb 0.71 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3a4n h ILE 118 CO 0.15 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.75 3a4n n GLU 119 N -5.06 0.11 -0.14 2.37 1.02 0.16 -1.56 120.64 117.54 3a4n n GLU 119 Ca 0.18 0.44 0.05 0.00 -0.02 0.00 0.00 57.16 57.81 3a4n n GLU 119 Cb 0.54 -1.75 0.11 0.00 -0.02 0.00 0.00 31.44 30.32 3a4n n GLU 119 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3a4n n ARG 120 N -1.96 2.73 0.00 3.49 1.74 -0.03 -4.96 116.66 117.68 3a4n n ARG 120 Ca 0.01 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 3a4n n ARG 120 Cb 0.14 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3a4n n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4n n GLY 121 N -0.22 0.87 3.67 -0.13 0.00 -0.60 -4.24 105.19 104.54 3a4n n GLY 121 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3a4n n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a4n n GLU 122 N -1.71 -2.84 0.06 1.61 2.13 -0.34 -4.83 120.64 114.71 3a4n n GLU 122 Ca 0.00 0.55 0.10 0.00 0.66 0.00 0.00 57.16 58.47 3a4n n GLU 122 Cb 0.00 -4.73 0.42 0.00 0.27 0.00 0.00 31.44 27.40 3a4n n GLU 122 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3a4n n LYS 123 N -4.13 0.09 -4.25 5.31 5.02 -1.26 -4.38 118.16 114.57 3a4n n LYS 123 Ca -0.19 0.28 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 3a4n n LYS 123 Cb 0.64 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 3a4n n LYS 123 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a4n s ILE 124 N -3.12 1.11 0.36 -0.18 1.01 -1.26 -5.05 121.20 114.07 3a4n s ILE 124 Ca 0.07 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 3a4n s ILE 124 Cb 0.11 -1.07 -0.11 0.00 0.01 0.00 0.00 42.46 41.40 3a4n s ILE 124 CO 0.37 0.37 1.51 -2.65 0.00 0.00 0.00 174.94 174.54 3a4n n PRO 125 N 4.37 2.69 -0.22 2.79 -0.02 -1.26 -4.80 135.00 138.54 3a4n n PRO 125 Ca -0.18 0.94 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 3a4n n PRO 125 Cb 0.51 -2.68 0.47 0.00 -0.02 0.00 0.00 33.50 31.77 3a4n n PRO 125 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3a4n h ASN 126 N 3.26 0.48 0.27 2.55 2.35 -1.98 0.29 115.58 122.81 3a4n h ASN 126 Ca -0.50 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.24 3a4n h ASN 126 Cb 1.24 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 3a4n h ASN 126 CO 0.67 0.23 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.15 3a4n h GLU 127 N 0.50 0.00 0.20 0.81 3.07 -1.99 0.52 114.58 117.69 3a4n h GLU 127 Ca 0.43 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.00 3a4n h GLU 127 Cb 0.91 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.85 3a4n h GLU 127 CO -0.17 0.19 -1.25 0.28 -1.40 0.00 0.00 179.01 176.67 3a4n h VAL 128 N 0.00 1.35 -0.66 3.13 2.07 -0.77 -2.27 116.25 119.11 3a4n h VAL 128 Ca -0.00 -2.60 0.10 0.00 0.82 0.00 0.00 66.70 65.01 3a4n h VAL 128 Cb 0.38 3.03 -0.07 0.00 -1.52 0.00 0.00 31.29 33.10 3a4n h VAL 128 CO 0.02 0.77 0.28 0.40 0.02 0.00 0.00 177.57 179.07 3a4n h ILE 129 N 0.02 0.80 0.26 4.57 1.08 -1.10 0.32 117.51 123.46 3a4n h ILE 129 Ca -0.21 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 3a4n h ILE 129 Cb 1.97 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 3a4n h ILE 129 CO 0.24 0.09 -0.12 0.11 -0.69 0.00 0.00 178.15 177.77 3a4n h LYS 130 N 0.49 -0.33 -0.94 2.37 1.57 -0.93 0.04 116.57 118.84 3a4n h LYS 130 Ca 0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3a4n h LYS 130 Cb 0.39 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3a4n h LYS 130 CO -0.29 -0.15 0.60 -0.22 -0.57 0.00 0.00 179.45 178.81 3a4n h LYS 131 N -0.44 1.26 -0.42 3.15 1.63 -1.15 -0.87 116.57 119.74 3a4n h LYS 131 Ca -0.04 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3a4n h LYS 131 Cb 0.33 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3a4n h LYS 131 CO 0.06 0.86 0.22 0.52 -3.45 0.00 0.00 179.45 177.65 3a4n h MET 132 N 1.29 0.57 -0.01 1.90 2.86 -0.07 -1.59 114.93 119.88 3a4n h MET 132 Ca 0.34 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 3a4n h MET 132 Cb -0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 3a4n h MET 132 CO -0.07 0.44 -0.02 -0.92 1.06 0.00 0.00 176.91 177.40 3a4n h TYR 133 N 0.58 0.04 -0.57 -0.22 3.20 0.35 -1.03 116.97 119.32 3a4n h TYR 133 Ca 0.15 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.10 3a4n h TYR 133 Cb 0.04 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3a4n h TYR 133 CO 0.00 0.57 0.38 0.93 -1.64 0.00 0.00 178.16 178.40 3a4n h GLU 134 N -0.50 0.38 -0.00 1.82 5.08 -1.22 -3.16 114.58 116.97 3a4n h GLU 134 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a4n h GLU 134 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3a4n h GLU 134 CO 0.00 0.25 -0.82 1.63 -1.00 0.00 0.00 179.01 179.07 3a4n n LYS 135 N -4.47 0.59 -1.99 2.33 4.76 -0.61 -4.95 118.16 113.83 3a4n n LYS 135 Ca 0.09 -0.24 -0.42 0.00 -2.87 0.00 0.00 58.31 54.86 3a4n n LYS 135 Cb 0.35 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3a4n n LYS 135 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3a4n s PHE 136 N -2.77 2.70 -0.22 2.13 5.36 -0.40 -4.99 117.98 119.80 3a4n s PHE 136 Ca 0.10 0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 56.43 3a4n s PHE 136 Cb 0.16 -3.89 -0.04 0.00 -0.34 0.00 0.00 43.02 38.91 3a4n s PHE 136 CO 0.75 -3.45 0.38 -0.51 -1.46 0.00 0.00 175.22 170.93 3a4n s ASP 137 N 1.92 6.38 0.35 6.13 1.01 -1.26 -5.04 116.67 126.16 3a4n s ASP 137 Ca 0.71 0.45 -0.21 0.00 0.71 0.00 0.00 52.55 54.21 3a4n s ASP 137 Cb -0.39 -2.22 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 3a4n s ASP 137 CO 0.31 -0.08 0.87 -1.83 0.21 0.00 0.00 175.17 174.65 3a4n s GLU 138 N 1.42 4.28 0.77 8.23 -1.05 -1.26 -4.92 118.70 126.17 3a4n s GLU 138 Ca 0.17 1.05 -0.11 0.00 -0.15 0.00 0.00 54.97 55.94 3a4n s GLU 138 Cb -0.15 -2.50 0.05 0.00 -0.44 0.00 0.00 34.13 31.10 3a4n s GLU 138 CO 0.08 0.15 1.08 -1.25 0.95 0.00 0.00 175.26 176.27 3a4n s PRO 139 N -2.67 2.32 0.00 -4.83 0.04 -1.26 -3.13 135.00 125.47 3a4n s PRO 139 Ca 0.55 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3a4n s PRO 139 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3a4n s PRO 139 CO 0.18 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.07 3a4n n GLY 140 N -1.48 1.30 0.37 0.56 0.00 -0.57 -4.62 105.19 100.75 3a4n n GLY 140 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 3a4n n GLY 140 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a4n h LYS 141 N 3.20 0.07 0.00 1.61 3.64 -1.85 -3.37 116.57 119.87 3a4n h LYS 141 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3a4n h LYS 141 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3a4n h LYS 141 CO 0.00 0.05 -0.46 1.17 -2.27 0.00 0.00 179.45 177.94 3a4n n LYS 142 N -4.41 1.21 -4.75 1.90 4.81 -1.26 -5.10 118.16 110.56 3a4n n LYS 142 Ca 0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.25 3a4n n LYS 142 Cb 0.54 -0.73 -0.14 0.00 0.02 0.00 0.00 35.03 34.71 3a4n n LYS 142 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3a4n s TYR 143 N -1.46 2.05 0.19 5.64 1.51 -1.26 -5.02 117.35 119.01 3a4n s TYR 143 Ca 0.00 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3a4n s TYR 143 Cb 0.00 -1.22 0.13 0.00 -0.11 0.00 0.00 41.96 40.76 3a4n s TYR 143 CO 0.00 0.12 1.84 -0.22 -1.11 0.00 0.00 175.55 176.17 3a4n h LYS 144 N 4.80 0.73 0.00 -0.62 1.63 -1.99 0.21 116.57 121.33 3a4n h LYS 144 Ca -0.45 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3a4n h LYS 144 Cb 1.15 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3a4n h LYS 144 CO 0.44 0.49 0.03 0.11 -3.45 0.00 0.00 179.45 177.06 3a4n h TRP 145 N 0.76 0.00 -0.22 1.91 5.08 -1.95 -2.35 115.95 119.18 3a4n h TRP 145 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 3a4n h TRP 145 Cb -0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 3a4n h TRP 145 CO -0.05 0.00 0.00 -3.47 -1.28 0.00 0.00 178.44 173.64 3a4n n ASP 146 N -3.05 2.48 -4.75 0.11 2.03 0.06 -4.96 116.55 108.48 3a4n n ASP 146 Ca -0.03 -1.83 -0.40 0.00 0.52 0.00 0.00 54.79 53.05 3a4n n ASP 146 Cb 0.10 -0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 3a4n n ASP 146 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3a4n s GLU 147 N -1.73 4.68 0.25 -0.67 2.02 -0.89 -1.52 118.70 120.84 3a4n s GLU 147 Ca 0.35 1.33 -0.31 0.00 0.02 0.00 0.00 54.97 56.36 3a4n s GLU 147 Cb 0.20 -3.33 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 3a4n s GLU 147 CO 0.29 0.37 1.61 -2.14 0.02 0.00 0.00 175.26 175.41 3a4n s PRO 148 N -0.52 4.15 0.16 0.39 0.02 -1.26 -4.67 135.00 133.27 3a4n s PRO 148 Ca 0.42 2.53 -0.12 0.00 0.02 0.00 0.00 61.00 63.85 3a4n s PRO 148 Cb -0.23 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.27 3a4n s PRO 148 CO 0.28 -0.64 1.64 0.35 -0.33 0.00 0.00 177.00 178.30 3a4n h PHE 149 N 5.64 0.98 -4.04 6.54 -0.00 -1.19 -3.45 116.94 121.43 3a4n h PHE 149 Ca -0.45 -0.15 -0.40 0.00 -0.00 0.00 0.00 57.97 56.97 3a4n h PHE 149 Cb 1.21 -0.26 -0.28 0.00 -0.00 0.00 0.00 35.95 36.62 3a4n h PHE 149 CO 0.61 0.88 -0.78 -0.51 -0.00 0.00 0.00 178.31 178.51 3a4n s LEU 150 N -9.47 2.05 -0.17 0.59 1.43 -1.19 -5.04 118.68 106.87 3a4n s LEU 150 Ca -0.12 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3a4n s LEU 150 Cb 0.12 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 3a4n s LEU 150 CO 0.82 0.09 -0.04 -0.63 0.23 0.00 0.00 176.35 176.82 3a4n s ILE 151 N -0.35 3.70 -0.23 -0.59 1.01 -1.26 -1.75 121.20 121.73 3a4n s ILE 151 Ca 0.03 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3a4n s ILE 151 Cb -0.04 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.84 3a4n s ILE 151 CO -0.00 0.47 -0.12 -0.63 0.00 0.00 0.00 174.94 174.66 3a4n s ILE 152 N 0.72 1.96 -0.73 2.92 -1.09 0.68 -4.99 121.20 120.67 3a4n s ILE 152 Ca -0.02 -1.32 -0.22 0.00 -2.23 0.00 0.00 60.65 56.85 3a4n s ILE 152 Cb -0.15 -2.02 0.07 0.00 -1.58 0.00 0.00 42.46 38.79 3a4n s ILE 152 CO 0.02 0.11 1.05 -0.62 -1.23 0.00 0.00 174.94 174.27 3a4n s ASP 153 N 1.23 6.26 0.00 3.58 -1.08 -1.26 -0.44 116.67 124.97 3a4n s ASP 153 Ca -0.04 -1.12 0.17 0.00 -0.52 0.00 0.00 52.55 51.04 3a4n s ASP 153 Cb -0.18 -2.44 0.99 0.00 -1.46 0.00 0.00 42.92 39.83 3a4n s ASP 153 CO -0.07 -1.43 1.43 0.35 0.52 0.00 0.00 175.17 175.96 3a4n n THR 154 N 5.97 0.08 0.06 1.71 -2.24 -1.07 -1.51 114.28 117.27 3a4n n THR 154 Ca 0.03 0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3a4n n THR 154 Cb 0.47 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 3a4n n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4n h THR 155 N 0.00 1.35 -2.25 4.28 1.03 -1.90 -3.46 112.91 111.96 3a4n h THR 155 Ca 0.00 -3.02 -0.44 0.00 -0.01 0.00 0.00 66.41 62.95 3a4n h THR 155 Cb 0.02 2.65 0.04 0.00 -1.07 0.00 0.00 68.15 69.80 3a4n h THR 155 CO 0.00 0.77 -0.07 -0.54 -0.01 0.00 0.00 175.52 175.67 3a4n s LYS 156 N -2.74 2.53 0.62 0.00 1.02 -0.57 -5.08 119.74 115.53 3a4n s LYS 156 Ca 0.00 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 3a4n s LYS 156 Cb 0.09 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3a4n s LYS 156 CO 0.81 -0.68 1.24 -0.51 -0.92 0.00 0.00 175.35 175.29 3a4n s ASP 157 N -4.44 4.91 -0.16 2.83 1.01 -1.26 -4.95 116.67 114.61 3a4n s ASP 157 Ca 0.58 2.48 -0.01 0.00 0.71 0.00 0.00 52.55 56.31 3a4n s ASP 157 Cb -0.10 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3a4n s ASP 157 CO 0.38 -1.79 -0.11 -0.63 0.21 0.00 0.00 175.17 173.23 3a4n s ILE 158 N -1.53 3.10 -0.74 0.77 1.01 -1.26 -5.03 121.20 117.52 3a4n s ILE 158 Ca 0.79 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 3a4n s ILE 158 Cb -0.33 -2.33 0.09 0.00 0.01 0.00 0.00 42.46 39.89 3a4n s ILE 158 CO 0.36 0.50 1.00 -0.62 0.00 0.00 0.00 174.94 176.18 3a4n s ASP 159 N 0.68 6.30 0.25 3.58 -1.08 -1.26 -4.91 116.67 120.24 3a4n s ASP 159 Ca -0.06 -1.32 0.13 0.00 -0.52 0.00 0.00 52.55 50.79 3a4n s ASP 159 Cb -0.15 -2.41 0.15 0.00 -1.46 0.00 0.00 42.92 39.05 3a4n s ASP 159 CO 0.02 -1.32 1.48 -0.26 0.52 0.00 0.00 175.17 175.61 3a4n h PHE 160 N 9.35 0.00 -0.74 -5.34 0.04 -1.98 -2.76 116.94 115.52 3a4n h PHE 160 Ca -0.16 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.65 3a4n h PHE 160 Cb 1.06 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 3a4n h PHE 160 CO 1.02 0.64 0.46 -0.91 -0.60 0.00 0.00 178.31 178.92 3a4n h ASN 161 N 0.00 0.75 0.05 2.17 -0.26 -1.99 -1.59 115.58 114.72 3a4n h ASN 161 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3a4n h ASN 161 Cb 1.36 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3a4n h ASN 161 CO 0.08 0.51 -0.03 -0.08 -1.06 0.00 0.00 177.43 176.86 3a4n h GLU 162 N 0.89 -0.07 -0.52 0.81 4.81 -1.94 -1.77 114.58 116.78 3a4n h GLU 162 Ca 0.30 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 3a4n h GLU 162 Cb 0.04 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 3a4n h GLU 162 CO -0.12 0.03 0.20 0.82 -0.73 0.00 0.00 179.01 179.21 3a4n h ILE 163 N -0.15 0.84 -0.03 2.32 2.04 -1.39 -2.26 117.51 118.87 3a4n h ILE 163 Ca -0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3a4n h ILE 163 Cb 0.13 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3a4n h ILE 163 CO 0.01 0.07 0.02 0.00 0.00 0.00 0.00 178.15 178.25 3a4n h ALA 164 N 1.34 0.04 -0.78 1.87 0.00 -1.21 -1.83 119.26 118.69 3a4n h ALA 164 Ca 0.25 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3a4n h ALA 164 Cb 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.91 3a4n h ALA 164 CO -0.24 -0.42 -0.41 -0.22 0.00 0.00 0.00 179.25 177.96 3a4n h LYS 165 N -0.05 -0.10 -0.19 0.00 3.64 -1.17 0.11 116.57 118.82 3a4n h LYS 165 Ca 0.01 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3a4n h LYS 165 Cb 0.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3a4n h LYS 165 CO -0.00 -0.07 -0.23 0.87 -2.27 0.00 0.00 179.45 177.75 3a4n h LYS 166 N -0.10 0.34 -0.09 1.90 1.79 -1.22 -2.11 116.57 117.07 3a4n h LYS 166 Ca 0.25 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.48 3a4n h LYS 166 Cb 0.56 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3a4n h LYS 166 CO -0.83 0.56 -0.51 -0.07 -1.08 0.00 0.00 179.45 177.53 3a4n h LEU 167 N 0.31 0.28 -0.28 2.94 3.38 -0.47 0.16 115.31 121.63 3a4n h LEU 167 Ca 0.05 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 3a4n h LEU 167 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a4n h LEU 167 CO 0.04 0.74 -0.72 0.40 0.09 0.00 0.00 178.44 178.99 3a4n h ILE 168 N 0.20 1.31 -0.22 1.22 2.04 -0.61 0.99 117.51 122.44 3a4n h ILE 168 Ca 0.01 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.89 3a4n h ILE 168 Cb 0.97 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3a4n h ILE 168 CO 0.08 0.62 0.15 -0.33 0.00 0.00 0.00 178.15 178.67 3a4n h GLU 169 N 0.47 0.29 0.05 2.37 5.08 -1.24 -3.00 114.58 118.60 3a4n h GLU 169 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3a4n h GLU 169 Cb 1.32 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3a4n h GLU 169 CO 0.14 0.19 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.10 3a4n h LYS 170 N 0.30 -0.07 -1.15 2.33 3.64 -0.42 -2.61 116.57 118.59 3a4n h LYS 170 Ca 0.08 0.00 0.32 0.00 -1.27 0.00 0.00 60.65 59.79 3a4n h LYS 170 Cb -0.03 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 3a4n h LYS 170 CO -0.02 -0.05 0.78 0.66 -2.27 0.00 0.00 179.45 178.56 3a4n h SER 171 N -0.07 0.22 1.29 4.20 4.64 -0.71 -1.15 113.55 121.97 3a4n h SER 171 Ca -0.01 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 3a4n h SER 171 Cb 0.06 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3a4n h SER 171 CO 0.01 0.02 -0.49 0.11 -0.87 0.00 0.00 176.83 175.61 3a4n h LYS 172 N 0.18 0.00 -7.21 4.77 1.57 -1.33 -3.44 116.57 111.12 3a4n h LYS 172 Ca 0.61 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.95 3a4n h LYS 172 Cb 1.99 0.00 0.20 0.00 0.08 0.00 0.00 32.23 34.49 3a4n h LYS 172 CO -0.18 0.49 0.06 -1.21 -0.57 0.00 0.00 179.45 178.04 3a4n s GLU 173 N -3.12 -0.62 -0.06 3.15 2.02 -0.44 -5.00 118.70 114.63 3a4n s GLU 173 Ca 0.03 0.71 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 3a4n s GLU 173 Cb 0.09 -1.60 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 3a4n s GLU 173 CO 0.73 -3.49 0.38 -1.50 0.02 0.00 0.00 175.26 171.40 3a4n s ILE 174 N -2.61 5.14 0.44 -1.63 -1.16 -1.26 -4.93 121.20 115.18 3a4n s ILE 174 Ca 0.68 0.77 -0.22 0.00 -0.51 0.00 0.00 60.65 61.36 3a4n s ILE 174 Cb -0.23 -3.70 -0.09 0.00 0.61 0.00 0.00 42.46 39.05 3a4n s ILE 174 CO 0.63 0.50 1.01 -2.84 -2.81 0.00 0.00 174.94 171.43 3a4n s PRO 175 N -0.48 4.06 -0.23 3.50 0.02 -1.26 -5.04 135.00 135.56 3a4n s PRO 175 Ca 0.22 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.54 3a4n s PRO 175 Cb -0.15 -2.28 0.08 0.00 0.02 0.00 0.00 34.50 32.17 3a4n s PRO 175 CO 0.10 -0.21 0.09 0.15 -0.33 0.00 0.00 177.00 176.81 3a4n s LYS 176 N -2.95 0.36 0.43 5.54 1.02 -1.26 -5.06 119.74 117.82 3a4n s LYS 176 Ca 0.62 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 56.23 3a4n s LYS 176 Cb -0.16 -1.74 -0.00 0.00 -0.52 0.00 0.00 37.83 35.41 3a4n s LYS 176 CO 0.20 -0.81 0.46 -0.06 -0.92 0.00 0.00 175.35 174.22 3a4n s PHE 177 N 1.97 2.63 -0.25 3.18 0.40 -1.26 -5.06 117.98 119.59 3a4n s PHE 177 Ca 0.04 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.66 3a4n s PHE 177 Cb -0.16 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 3a4n s PHE 177 CO -0.19 -0.28 0.72 1.21 0.70 0.00 0.00 175.22 177.38 3a4n s ASN 188 N -4.23 6.69 0.58 1.36 3.84 -1.26 -5.03 114.94 116.90 3a4n s ASN 188 Ca 0.50 0.85 0.29 0.00 0.21 0.00 0.00 52.86 54.71 3a4n s ASN 188 Cb -0.05 -2.38 1.50 0.00 -0.55 0.00 0.00 41.25 39.76 3a4n s ASN 188 CO 0.30 -0.44 1.93 0.78 -2.79 0.00 0.00 177.10 176.88 3a4n h ASN 189 N 7.80 0.00 0.17 -4.21 2.35 -2.00 -1.43 115.58 118.26 3a4n h ASN 189 Ca -0.25 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.20 3a4n h ASN 189 Cb 1.11 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.51 3a4n h ASN 189 CO 0.82 0.00 -1.25 -0.29 -1.65 0.00 0.00 177.43 175.06 3a4n h ILE 190 N 0.00 1.30 -0.75 2.81 6.09 -2.05 -1.07 117.51 123.85 3a4n h ILE 190 Ca 0.21 -2.50 0.07 0.00 -1.37 0.00 0.00 64.86 61.27 3a4n h ILE 190 Cb 1.09 2.71 -0.06 0.00 0.47 0.00 0.00 36.82 41.03 3a4n h ILE 190 CO -0.00 0.76 0.43 -1.28 -3.07 0.00 0.00 178.15 174.98 3a4n h SER 191 N 0.26 0.64 -0.19 2.19 0.87 -1.70 -0.47 113.55 115.15 3a4n h SER 191 Ca -0.19 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 3a4n h SER 191 Cb 1.92 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.79 3a4n h SER 191 CO 0.24 0.40 -0.17 0.44 -0.53 0.00 0.00 176.83 177.20 3a4n h ASP 192 N 0.77 0.48 -0.78 6.23 3.32 -1.49 0.54 116.42 125.49 3a4n h ASP 192 Ca 0.34 -0.47 0.11 0.00 0.02 0.00 0.00 57.03 57.03 3a4n h ASP 192 Cb 0.23 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3a4n h ASP 192 CO -0.20 0.85 0.51 0.50 -1.72 0.00 0.00 179.24 179.19 3a4n h LYS 193 N 0.12 0.65 0.11 3.56 3.64 -1.00 0.71 116.57 124.35 3a4n h LYS 193 Ca 0.03 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 3a4n h LYS 193 Cb 0.71 -0.15 0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3a4n h LYS 193 CO 0.04 0.43 -1.15 0.82 -2.27 0.00 0.00 179.45 177.32 3a4n h ILE 194 N 0.67 1.31 -0.94 2.00 2.04 -0.87 -1.51 117.51 120.20 3a4n h ILE 194 Ca 0.37 -2.42 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 3a4n h ILE 194 Cb 0.52 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 39.27 3a4n h ILE 194 CO -0.14 0.73 0.58 -0.78 0.00 0.00 0.00 178.15 178.54 3a4n h ASP 195 N 0.20 1.13 0.46 1.72 3.58 -0.31 -2.54 116.42 120.65 3a4n h ASP 195 Ca -0.17 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3a4n h ASP 195 Cb 1.84 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.61 3a4n h ASP 195 CO 0.22 0.86 -0.22 0.50 -2.88 0.00 0.00 179.24 177.72 3a4n h LYS 196 N 1.30 -0.59 -0.18 0.28 3.64 0.41 -3.17 116.57 118.26 3a4n h LYS 196 Ca 0.34 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 3a4n h LYS 196 Cb -0.07 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3a4n h LYS 196 CO -0.06 -0.29 -0.40 0.93 -2.27 0.00 0.00 179.45 177.35 3a4n h GLU 197 N -0.87 0.41 -0.14 1.90 4.39 -1.23 -1.56 114.58 117.47 3a4n h GLU 197 Ca -0.06 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 3a4n h GLU 197 Cb 0.57 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3a4n h GLU 197 CO 0.10 0.75 -0.28 1.79 -1.16 0.00 0.00 179.01 180.22 3a4n h THR 198 N 0.34 1.25 0.07 1.13 1.35 -1.58 0.42 112.91 115.90 3a4n h THR 198 Ca 0.03 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3a4n h THR 198 Cb 0.86 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3a4n h THR 198 CO 0.07 0.36 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.58 3a4n h ARG 199 N 0.23 -0.09 -0.52 4.72 2.43 -1.37 0.16 114.38 119.93 3a4n h ARG 199 Ca 0.03 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3a4n h ARG 199 Cb 0.61 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 3a4n h ARG 199 CO 0.04 0.25 0.23 0.87 -1.51 0.00 0.00 179.97 179.86 3a4n h LYS 200 N -0.45 0.44 0.56 0.20 1.57 -0.87 0.24 116.57 118.25 3a4n h LYS 200 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3a4n h LYS 200 Cb 0.39 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3a4n h LYS 200 CO 0.02 0.29 -0.32 0.82 -0.57 0.00 0.00 179.45 179.69 3a4n h ILE 201 N 0.45 0.34 -0.94 1.86 2.04 -0.14 0.81 117.51 121.94 3a4n h ILE 201 Ca 0.24 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.35 3a4n h ILE 201 Cb 0.20 0.34 -0.13 0.00 -0.74 0.00 0.00 36.82 36.49 3a4n h ILE 201 CO -0.20 0.00 0.44 0.58 0.00 0.00 0.00 178.15 178.97 3a4n h VAL 202 N -0.82 0.42 -0.20 1.67 2.07 -0.32 0.11 116.25 119.17 3a4n h VAL 202 Ca -0.07 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 3a4n h VAL 202 Cb 0.66 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3a4n h VAL 202 CO 0.08 0.07 -0.45 0.28 0.02 0.00 0.00 177.57 177.58 3a4n h SER 203 N 0.38 0.54 -0.18 0.57 0.02 -0.05 -2.62 113.55 112.22 3a4n h SER 203 Ca 0.61 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3a4n h SER 203 Cb 1.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3a4n h SER 203 CO -0.56 0.91 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.67 3a4n h GLU 204 N 0.41 0.66 0.49 3.45 4.57 0.16 -3.29 114.58 121.03 3a4n h GLU 204 Ca 0.03 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3a4n h GLU 204 Cb 0.94 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3a4n h GLU 204 CO 0.08 0.88 -0.23 1.88 -1.18 0.00 0.00 179.01 180.43 3a4n h TYR 205 N 0.57 -0.61 -2.72 0.92 -1.99 -1.01 -2.25 116.97 109.88 3a4n h TYR 205 Ca 0.07 -0.01 -0.53 0.00 2.00 0.00 0.00 58.73 60.25 3a4n h TYR 205 Cb 0.78 0.20 0.02 0.00 2.00 0.00 0.00 36.73 39.74 3a4n h TYR 205 CO 0.04 -0.29 0.97 0.42 -0.00 0.00 0.00 178.16 179.30 3a4n s ILE 206 N -5.02 3.02 0.00 -2.88 1.01 -1.00 -1.52 121.20 114.81 3a4n s ILE 206 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3a4n s ILE 206 Cb 0.02 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3a4n s ILE 206 CO 0.53 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.77 3a4n n LYS 207 N 5.34 0.00 0.20 2.79 5.02 -1.26 -4.69 118.16 125.57 3a4n n LYS 207 Ca 0.15 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.50 3a4n n LYS 207 Cb 0.40 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 35.95 3a4n n LYS 207 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3a4n h SER 208 N 0.00 0.08 -0.38 4.39 4.64 -1.31 0.13 113.55 121.10 3a4n h SER 208 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3a4n h SER 208 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3a4n h SER 208 CO 0.00 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 3a4n n LYS 209 N -4.43 3.16 -2.29 4.77 5.02 -0.58 -4.96 118.16 118.84 3a4n n LYS 209 Ca -0.02 -2.59 -0.08 0.00 -2.02 0.00 0.00 58.31 53.60 3a4n n LYS 209 Cb 0.16 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3a4n n LYS 209 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3a4n n LYS 210 N 0.23 -2.33 -1.39 1.97 4.01 0.46 -4.79 118.16 116.32 3a4n n LYS 210 Ca 0.19 0.38 -0.45 0.00 -0.51 0.00 0.00 58.31 57.92 3a4n n LYS 210 Cb 0.74 -4.88 -0.02 0.00 -0.51 0.00 0.00 35.03 30.36 3a4n n LYS 210 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3a4n n LEU 211 N -2.52 -1.30 -4.94 -0.35 4.32 -1.26 -4.87 117.00 106.08 3a4n n LEU 211 Ca -0.09 1.02 -0.30 0.00 -0.02 0.00 0.00 56.01 56.62 3a4n n LEU 211 Cb 0.52 -0.98 0.20 0.00 -1.62 0.00 0.00 43.42 41.55 3a4n n LEU 211 CO 0.11 -3.18 0.89 1.51 -1.22 0.00 0.00 177.39 175.50 3a4n s ASP 212 N -0.96 2.88 0.06 -1.43 3.84 -1.26 -4.83 116.67 114.97 3a4n s ASP 212 Ca 0.62 0.17 -0.28 0.00 -0.00 0.00 0.00 52.55 53.07 3a4n s ASP 212 Cb -0.79 -0.14 -0.14 0.00 -1.38 0.00 0.00 42.92 40.47 3a4n s ASP 212 CO 0.58 -2.87 1.42 0.11 -0.00 0.00 0.00 175.17 174.41 3a4n h LYS 213 N -1.74 -0.83 -0.29 2.11 1.57 -1.99 -0.66 116.57 114.74 3a4n h LYS 213 Ca -0.44 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3a4n h LYS 213 Cb 1.22 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 3a4n h LYS 213 CO 0.33 -0.56 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.20 3a4n h ASP 214 N -0.87 0.41 -0.82 0.86 5.19 -1.99 -1.54 116.42 117.66 3a4n h ASP 214 Ca -0.07 -0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.31 3a4n h ASP 214 Cb 0.71 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 3a4n h ASP 214 CO 0.04 0.48 0.52 0.11 -3.12 0.00 0.00 179.24 177.27 3a4n h LYS 215 N 0.42 0.95 -0.47 3.56 1.57 -1.92 -0.47 116.57 120.22 3a4n h LYS 215 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3a4n h LYS 215 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3a4n h LYS 215 CO 0.01 0.63 0.26 0.82 -0.57 0.00 0.00 179.45 180.60 3a4n h ILE 216 N 0.98 1.16 -0.34 1.86 2.04 -0.18 -1.34 117.51 121.69 3a4n h ILE 216 Ca 0.34 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3a4n h ILE 216 Cb 0.07 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3a4n h ILE 216 CO -0.14 0.17 0.19 0.11 0.00 0.00 0.00 178.15 178.49 3a4n h LYS 217 N 0.62 0.38 -0.10 2.37 1.79 -0.69 -2.21 116.57 118.73 3a4n h LYS 217 Ca 0.17 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 3a4n h LYS 217 Cb 0.05 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.55 3a4n h LYS 217 CO -0.03 0.25 -0.33 0.93 -1.08 0.00 0.00 179.45 179.20 3a4n h GLU 218 N 0.39 -0.40 -0.88 3.15 5.08 -0.83 -2.47 114.58 118.63 3a4n h GLU 218 Ca 0.13 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.65 3a4n h GLU 218 Cb 0.01 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3a4n h GLU 218 CO -0.07 -0.27 0.57 0.28 -1.00 0.00 0.00 179.01 178.52 3a4n h VAL 219 N -0.42 0.86 0.26 3.13 2.07 -0.98 0.37 116.25 121.55 3a4n h VAL 219 Ca 0.09 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3a4n h VAL 219 Cb 0.55 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3a4n h VAL 219 CO -0.33 0.13 -0.13 0.58 0.02 0.00 0.00 177.57 177.84 3a4n h VAL 220 N 0.71 0.77 -0.97 2.57 2.07 -1.00 0.30 116.25 120.70 3a4n h VAL 220 Ca 0.43 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3a4n h VAL 220 Cb 0.65 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3a4n h VAL 220 CO -0.19 0.13 0.61 -0.08 0.02 0.00 0.00 177.57 178.06 3a4n h GLU 221 N -0.72 1.03 -0.19 1.57 4.57 -1.18 -0.26 114.58 119.40 3a4n h GLU 221 Ca -0.04 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3a4n h GLU 221 Cb 0.49 -0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 3a4n h GLU 221 CO 0.06 0.68 -0.35 1.25 -1.18 0.00 0.00 179.01 179.47 3a4n h LEU 222 N 1.06 -1.12 -0.33 1.64 6.46 -0.02 0.77 115.31 123.78 3a4n h LEU 222 Ca 0.44 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 58.43 3a4n h LEU 222 Cb 0.27 0.48 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 3a4n h LEU 222 CO -0.20 -0.37 -0.09 -0.09 -0.62 0.00 0.00 178.44 177.06 3a4n h ARG 223 N -0.39 -0.01 0.00 1.25 2.43 0.82 -0.29 114.38 118.19 3a4n h ARG 223 Ca 0.11 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3a4n h ARG 223 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3a4n h ARG 223 CO -0.41 -0.01 -0.40 1.57 -1.51 0.00 0.00 179.97 179.21 3a4n h LYS 224 N -0.01 0.00 -0.16 0.20 2.10 -1.08 -0.68 116.57 116.94 3a4n h LYS 224 Ca 0.16 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.72 3a4n h LYS 224 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 3a4n h LYS 224 CO -0.34 0.40 -0.28 0.93 -2.00 0.00 0.00 179.45 178.16 3a4n h GLU 225 N 0.00 0.31 -0.16 0.07 4.39 0.05 -2.02 114.58 117.22 3a4n h GLU 225 Ca -0.00 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 3a4n h GLU 225 Cb 0.74 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3a4n h GLU 225 CO 0.05 0.56 -0.62 0.35 -1.16 0.00 0.00 179.01 178.20 3a4n h PHE 226 N 0.27 0.92 0.00 4.33 3.04 -0.10 -2.74 116.94 122.66 3a4n h PHE 226 Ca 0.04 -0.39 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 3a4n h PHE 226 Cb 0.63 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 3a4n h PHE 226 CO 0.01 1.20 -0.09 -0.07 -2.02 0.00 0.00 178.31 177.34 3a4n h LEU 227 N 0.39 0.00 0.20 0.59 3.38 -1.13 -2.03 115.31 116.70 3a4n h LEU 227 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a4n h LEU 227 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a4n h LEU 227 CO 0.13 0.09 -0.09 0.11 0.09 0.00 0.00 178.44 178.77 3a4n h LYS 228 N 0.00 -0.25 -0.38 1.13 1.57 -1.23 -2.95 116.57 114.47 3a4n h LYS 228 Ca -0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3a4n h LYS 228 Cb 0.60 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3a4n h LYS 228 CO 0.01 0.07 0.21 0.87 -0.57 0.00 0.00 179.45 180.04 3a4n h LYS 229 N -0.59 0.53 0.00 3.15 6.56 -1.27 -2.82 116.57 122.12 3a4n h LYS 229 Ca -0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3a4n h LYS 229 Cb 0.44 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 3a4n h LYS 229 CO 0.04 0.42 0.00 0.44 -2.06 0.00 0.00 179.45 178.30 3a4n n ILE 230 N -4.76 0.01 -3.50 1.86 -6.64 -0.78 -5.13 119.36 100.43 3a4n n ILE 230 Ca -0.00 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.57 3a4n n ILE 230 Cb 0.07 -0.52 -0.04 0.00 -1.44 0.00 0.00 39.64 37.71 3a4n n ILE 230 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3a4n s LYS 231 N -2.19 3.54 -0.05 6.28 2.36 -1.07 -5.07 119.74 123.54 3a4n s LYS 231 Ca 0.40 -3.01 -0.04 0.00 -2.55 0.00 0.00 55.97 50.77 3a4n s LYS 231 Cb 0.21 -4.20 -0.02 0.00 -1.05 0.00 0.00 37.83 32.76 3a4n s LYS 231 CO 0.39 -1.25 0.16 -3.47 1.55 0.00 0.00 175.35 172.73 3a4n n ASP 237 N 2.91 0.11 0.09 1.43 2.03 -1.26 -5.04 116.55 116.82 3a4n n ASP 237 Ca 0.19 0.11 -0.12 0.00 0.52 0.00 0.00 54.79 55.49 3a4n n ASP 237 Cb 0.40 -0.09 -0.05 0.00 -0.72 0.00 0.00 41.12 40.66 3a4n n ASP 237 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a4n h ALA 238 N 0.55 -0.32 -0.18 -1.67 0.00 -1.99 -0.44 119.26 115.22 3a4n h ALA 238 Ca -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3a4n h ALA 238 Cb 0.13 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3a4n h ALA 238 CO 0.10 -0.72 -0.22 -0.44 0.00 0.00 0.00 179.25 177.97 3a4n h ASP 239 N -0.37 0.30 -0.05 0.00 3.32 -2.01 0.50 116.42 118.11 3a4n h ASP 239 Ca 0.03 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3a4n h ASP 239 Cb 0.40 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3a4n h ASP 239 CO -0.13 0.53 0.01 -0.09 -1.72 0.00 0.00 179.24 177.85 3a4n h ARG 240 N 0.28 0.09 -0.44 3.56 2.43 -1.94 -1.13 114.38 117.24 3a4n h ARG 240 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3a4n h ARG 240 Cb 0.55 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3a4n h ARG 240 CO 0.04 0.28 0.22 0.28 -1.51 0.00 0.00 179.97 179.28 3a4n h VAL 241 N -0.12 1.15 -0.09 0.20 2.07 -0.69 -0.19 116.25 118.57 3a4n h VAL 241 Ca 0.02 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 3a4n h VAL 241 Cb 0.23 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3a4n h VAL 241 CO -0.00 0.16 -0.68 -0.07 0.02 0.00 0.00 177.57 177.00 3a4n h LEU 242 N 0.61 0.46 -0.55 2.57 3.38 -0.65 -0.35 115.31 120.77 3a4n h LEU 242 Ca 0.16 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3a4n h LEU 242 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3a4n h LEU 242 CO -0.02 1.01 -0.22 0.50 0.09 0.00 0.00 178.44 179.80 3a4n h LYS 243 N 0.27 0.94 -0.09 1.13 3.11 -0.59 -2.02 116.57 119.33 3a4n h LYS 243 Ca -0.02 -0.39 -0.13 0.00 -2.81 0.00 0.00 60.65 57.30 3a4n h LYS 243 Cb 1.24 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3a4n h LYS 243 CO 0.12 1.05 -0.51 1.49 -2.81 0.00 0.00 179.45 178.79 3a4n h GLU 244 N 0.81 0.23 -0.43 1.90 4.57 -0.90 0.64 114.58 121.39 3a4n h GLU 244 Ca 0.11 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3a4n h GLU 244 Cb 0.78 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3a4n h GLU 244 CO 0.06 0.68 -0.05 0.35 -1.18 0.00 0.00 179.01 178.88 3a4n h PHE 245 N 0.18 0.79 0.03 0.92 3.57 -0.92 -0.47 116.94 121.03 3a4n h PHE 245 Ca 0.01 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3a4n h PHE 245 Cb 0.96 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3a4n h PHE 245 CO 0.02 0.76 -0.01 0.87 -2.23 0.00 0.00 178.31 177.72 3a4n h LYS 246 N 0.68 -0.03 -0.67 1.11 1.57 -0.77 -0.77 116.57 117.68 3a4n h LYS 246 Ca 0.13 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.03 3a4n h LYS 246 Cb 0.49 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 3a4n h LYS 246 CO 0.03 0.34 0.22 -0.44 -0.57 0.00 0.00 179.45 179.03 3a4n h ASP 247 N -0.41 0.16 0.10 0.86 3.32 -0.84 -2.16 116.42 117.45 3a4n h ASP 247 Ca -0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3a4n h ASP 247 Cb 0.39 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3a4n h ASP 247 CO 0.01 0.08 -0.23 0.25 -1.72 0.00 0.00 179.24 177.62 3a4n h LEU 248 N 0.37 -0.66 -0.35 1.55 6.46 -0.84 -0.57 115.31 121.28 3a4n h LEU 248 Ca 0.36 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 58.27 3a4n h LEU 248 Cb 0.52 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.62 3a4n h LEU 248 CO -0.39 -0.32 -0.20 -0.07 -0.62 0.00 0.00 178.44 176.85 3a4n h LEU 249 N -0.42 -0.67 -0.72 2.25 3.38 -0.89 0.82 115.31 119.05 3a4n h LEU 249 Ca 0.03 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3a4n h LEU 249 Cb 0.45 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3a4n h LEU 249 CO -0.14 -0.23 0.47 0.78 0.09 0.00 0.00 178.44 179.41 3a4n h ASN 250 N -0.15 0.81 -0.25 -0.43 2.35 -0.99 -2.70 115.58 114.22 3a4n h ASN 250 Ca 0.18 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 3a4n h ASN 250 Cb 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3a4n h ASN 250 CO -0.44 0.58 -0.41 0.77 -1.65 0.00 0.00 177.43 176.28 3a4n h SER 251 N 0.96 0.80 0.00 5.81 4.64 -0.75 -3.52 113.55 121.48 3a4n h SER 251 Ca 0.27 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3a4n h SER 251 Cb -0.08 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 3a4n h SER 251 CO -0.07 1.17 0.00 0.00 -0.87 0.00 0.00 176.83 177.05