#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w0n s HIS 2 N 0.00 2.11 -0.47 1.61 0.09 -1.26 -4.01 115.29 113.36 2w0n s HIS 2 Ca 0.00 0.61 -0.14 0.00 -0.00 0.00 0.00 55.06 55.54 2w0n s HIS 2 Cb 0.00 -4.26 0.02 0.00 -0.00 0.00 0.00 32.58 28.34 2w0n s HIS 2 CO 0.00 -2.26 0.61 -0.12 -0.00 0.00 0.00 174.74 172.97 2w0n n MET 3 N 8.52 -2.22 -0.02 1.40 1.56 -1.26 -5.06 117.12 120.04 2w0n n MET 3 Ca 0.17 2.03 0.00 0.00 -0.27 0.00 0.00 57.70 59.63 2w0n n MET 3 Cb 0.49 -5.66 0.00 0.00 2.15 0.00 0.00 33.22 30.20 2w0n n MET 3 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2w0n n GLY 4 N -0.50 5.02 0.61 -5.12 0.00 -1.26 -5.05 105.19 98.90 2w0n n GLY 4 Ca 0.10 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 44.14 2w0n n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w0n n LEU 5 N 0.00 3.09 0.05 0.99 4.77 -1.26 -4.70 117.00 119.94 2w0n n LEU 5 Ca 0.00 -3.51 -0.05 0.00 -0.03 0.00 0.00 56.01 52.43 2w0n n LEU 5 Cb 0.00 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2w0n n LEU 5 CO 0.00 1.06 0.13 -0.08 -1.33 0.00 0.00 177.39 177.17 2w0n h GLU 6 N 0.81 -0.21 0.00 3.23 4.57 -1.99 -3.34 114.58 117.65 2w0n h GLU 6 Ca 0.05 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2w0n h GLU 6 Cb 1.21 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2w0n h GLU 6 CO 0.12 -0.07 -0.19 -1.00 -1.18 0.00 0.00 179.01 176.69 2w0n h PRO 7 N -1.04 0.00 -0.62 0.92 0.13 -2.01 -3.19 132.00 126.18 2w0n h PRO 7 Ca -0.02 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.18 2w0n h PRO 7 Cb 0.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.34 2w0n h PRO 7 CO 0.04 0.19 0.41 -0.92 -0.23 0.00 0.00 178.00 177.49 2w0n h TYR 8 N 0.00 0.57 0.66 1.56 3.20 -1.84 0.10 116.97 121.21 2w0n h TYR 8 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2w0n h TYR 8 Cb 0.88 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.97 2w0n h TYR 8 CO 0.00 0.29 -0.32 1.49 -1.64 0.00 0.00 178.16 177.99 2w0n h GLU 9 N 0.56 -0.85 0.46 1.82 4.81 -1.67 -3.34 114.58 116.36 2w0n h GLU 9 Ca 0.27 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2w0n h GLU 9 Cb 0.35 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2w0n h GLU 9 CO -0.08 -0.53 -0.22 0.82 -0.73 0.00 0.00 179.01 178.27 2w0n h ILE 10 N -1.05 0.00 -5.13 2.32 2.04 -1.65 -3.48 117.51 110.55 2w0n h ILE 10 Ca -0.09 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2w0n h ILE 10 Cb 0.71 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2w0n h ILE 10 CO 0.15 0.00 -0.26 -0.24 0.00 0.00 0.00 178.15 177.80 2w0n n SER 11 N -4.01 -6.83 0.18 1.72 2.88 0.32 -4.92 113.62 102.97 2w0n n SER 11 Ca -0.08 -0.25 0.02 0.00 -1.33 0.00 0.00 58.87 57.23 2w0n n SER 11 Cb 0.24 -4.80 0.32 0.00 -0.75 0.00 0.00 64.21 59.23 2w0n n SER 11 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2w0n h THR 12 N -0.05 1.25 -0.18 2.46 1.35 -1.94 -2.78 112.91 113.01 2w0n h THR 12 Ca -0.18 -1.48 0.02 0.00 -0.55 0.00 0.00 66.41 64.22 2w0n h THR 12 Cb 1.09 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2w0n h THR 12 CO 0.31 0.42 0.13 -0.07 -0.25 0.00 0.00 175.52 176.05 2w0n h LEU 13 N 0.00 0.13 0.36 3.87 4.07 -1.96 0.62 115.31 122.40 2w0n h LEU 13 Ca -0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2w0n h LEU 13 Cb 0.78 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2w0n h LEU 13 CO 0.06 0.09 -0.17 -0.26 -1.08 0.00 0.00 178.44 177.07 2w0n h PHE 14 N 0.15 -0.45 -0.46 1.13 -1.00 -1.86 -2.93 116.94 111.52 2w0n h PHE 14 Ca 0.08 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 2w0n h PHE 14 Cb 0.12 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2w0n h PHE 14 CO -0.00 -0.13 0.26 0.93 -1.61 0.00 0.00 178.31 177.76 2w0n h GLU 15 N -0.95 0.63 0.00 1.51 5.08 -1.56 -1.05 114.58 118.24 2w0n h GLU 15 Ca -0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2w0n h GLU 15 Cb 0.53 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2w0n h GLU 15 CO 0.08 0.46 -0.04 0.37 -1.00 0.00 0.00 179.01 178.88 2w0n h GLN 16 N 0.64 0.00 -0.36 2.33 5.75 -0.89 -2.28 115.11 120.30 2w0n h GLN 16 Ca 0.17 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 2w0n h GLN 16 Cb 0.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2w0n h GLN 16 CO -0.03 0.04 0.30 -0.09 -2.65 0.00 0.00 178.83 176.40 2w0n h ARG 17 N 0.00 0.00 -0.12 1.69 1.12 -0.99 0.89 114.38 116.97 2w0n h ARG 17 Ca -0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.74 2w0n h ARG 17 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2w0n h ARG 17 CO 0.01 0.00 -0.48 0.37 -3.11 0.00 0.00 179.97 176.76 2w0n h GLN 18 N 0.00 0.31 0.00 0.20 5.75 -1.58 -2.87 115.11 116.93 2w0n h GLN 18 Ca 0.17 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2w0n h GLN 18 Cb 0.77 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2w0n h GLN 18 CO -0.00 0.73 -0.00 0.00 -2.65 0.00 0.00 178.83 176.91 2w0n h ALA 19 N 1.24 1.89 -0.40 3.38 0.00 -0.98 -1.41 119.26 122.98 2w0n h ALA 19 Ca 0.01 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2w0n h ALA 19 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2w0n h ALA 19 CO 0.08 0.00 0.28 0.52 0.00 0.00 0.00 179.25 180.13 2w0n h MET 20 N 0.00 0.11 0.03 0.00 2.07 -1.52 -0.32 114.93 115.30 2w0n h MET 20 Ca -0.00 -0.01 -0.23 0.00 -2.07 0.00 0.00 59.70 57.39 2w0n h MET 20 Cb 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 2w0n h MET 20 CO 0.00 0.08 -0.99 -0.07 1.07 0.00 0.00 176.91 176.99 2w0n h LEU 21 N 0.12 0.49 -1.17 1.22 3.38 -1.42 -3.21 115.31 114.72 2w0n h LEU 21 Ca 0.19 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2w0n h LEU 21 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2w0n h LEU 21 CO -0.02 1.23 -0.33 1.56 0.09 0.00 0.00 178.44 180.97 2w0n h GLN 22 N 0.19 0.15 -7.08 1.13 4.20 -1.10 -3.45 115.11 109.15 2w0n h GLN 22 Ca -0.09 -0.06 -0.51 0.00 0.06 0.00 0.00 58.65 58.06 2w0n h GLN 22 Cb 1.64 -0.01 0.21 0.00 0.30 0.00 0.00 27.48 29.62 2w0n h GLN 22 CO 0.17 0.47 -0.10 0.45 -0.67 0.00 0.00 178.83 179.14 2w0n n SER 23 N -4.11 -0.76 0.06 1.46 2.88 -0.69 -4.98 113.62 107.47 2w0n n SER 23 Ca -0.01 0.28 -0.03 0.00 -1.33 0.00 0.00 58.87 57.78 2w0n n SER 23 Cb 0.40 -1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 62.50 2w0n n SER 23 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2w0n h ILE 24 N -1.94 0.00 -4.84 2.46 2.04 -1.87 -3.48 117.51 109.88 2w0n h ILE 24 Ca -0.46 -0.15 -0.40 0.00 1.00 0.00 0.00 64.86 64.84 2w0n h ILE 24 Cb 1.29 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 37.45 2w0n h ILE 24 CO 0.40 0.00 -0.62 0.29 0.00 0.00 0.00 178.15 178.22 2w0n n LYS 25 N -2.87 -5.81 -2.11 2.37 4.76 -1.26 -4.89 118.16 108.34 2w0n n LYS 25 Ca -0.02 0.88 -0.40 0.00 -2.87 0.00 0.00 58.31 55.90 2w0n n LYS 25 Cb 0.07 -5.78 0.00 0.00 -1.84 0.00 0.00 35.03 27.47 2w0n n LYS 25 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2w0n n GLU 26 N -4.30 4.74 0.00 1.97 2.13 -1.26 -4.99 120.64 118.93 2w0n n GLU 26 Ca -0.08 -3.68 0.00 0.00 0.66 0.00 0.00 57.16 54.06 2w0n n GLU 26 Cb 0.60 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.71 2w0n n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2w0n n GLY 27 N 1.42 0.16 3.16 8.31 0.00 -1.26 -4.52 105.19 112.45 2w0n n GLY 27 Ca 0.59 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2w0n n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w0n s VAL 28 N 0.00 3.49 -0.13 1.61 1.01 -1.26 -5.05 120.40 120.08 2w0n s VAL 28 Ca 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.10 2w0n s VAL 28 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2w0n s VAL 28 CO 0.00 -0.60 0.11 -0.69 0.00 0.00 0.00 175.10 173.92 2w0n s VAL 29 N 1.22 -0.16 -0.02 2.92 1.01 -1.26 -4.54 120.40 119.57 2w0n s VAL 29 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2w0n s VAL 29 Cb -0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2w0n s VAL 29 CO -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 175.10 174.86 2w0n s ALA 30 N 2.20 1.18 -0.11 5.51 0.00 -1.26 -3.83 121.76 125.46 2w0n s ALA 30 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2w0n s ALA 30 Cb -0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2w0n s ALA 30 CO -0.07 0.25 -0.16 0.14 0.00 0.00 0.00 175.76 175.92 2w0n s VAL 31 N -0.11 2.83 -1.14 0.00 -7.23 0.38 -4.76 120.40 110.37 2w0n s VAL 31 Ca 0.01 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.23 2w0n s VAL 31 Cb -0.08 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2w0n s VAL 31 CO 0.00 0.54 1.93 0.47 -0.31 0.00 0.00 175.10 177.73 2w0n n ASP 32 N 3.29 3.47 -1.41 4.85 9.92 -1.21 -1.63 116.55 133.84 2w0n n ASP 32 Ca -0.18 -2.76 0.00 0.00 -0.53 0.00 0.00 54.79 51.31 2w0n n ASP 32 Cb 0.53 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 2w0n n ASP 32 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2w0n n ASP 33 N 10.05 -7.61 0.00 -2.24 2.03 -1.26 -4.54 116.55 112.97 2w0n n ASP 33 Ca 0.48 1.51 0.00 0.00 0.52 0.00 0.00 54.79 57.30 2w0n n ASP 33 Cb 0.44 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 2w0n n ASP 33 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2w0n n ARG 34 N -2.03 0.00 0.00 -0.67 0.00 -1.26 -3.66 116.66 109.04 2w0n n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2w0n n ARG 34 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 2w0n n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2w0n n GLY 35 N 0.00 -1.79 3.22 5.14 0.00 -1.26 -5.04 105.19 105.46 2w0n n GLY 35 Ca 0.00 0.69 -0.37 0.00 0.00 0.00 0.00 46.02 46.33 2w0n n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2w0n s GLU 36 N 0.00 2.46 -0.50 1.61 8.01 -1.24 -4.87 118.70 124.17 2w0n s GLU 36 Ca 0.00 -1.36 0.02 0.00 0.01 0.00 0.00 54.97 53.64 2w0n s GLU 36 Cb 0.00 -3.47 0.51 0.00 -4.31 0.00 0.00 34.13 26.86 2w0n s GLU 36 CO 0.00 -0.78 1.79 1.33 0.01 0.00 0.00 175.26 177.61 2w0n n VAL 37 N 4.75 3.20 0.18 2.63 0.24 -1.26 -3.31 118.33 124.75 2w0n n VAL 37 Ca -0.10 -2.86 0.06 0.00 -2.04 0.00 0.00 64.34 59.40 2w0n n VAL 37 Cb 0.43 -0.86 0.54 0.00 -1.47 0.00 0.00 33.84 32.48 2w0n n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2w0n h THR 38 N 1.18 1.07 -3.69 3.34 1.03 -1.77 -3.39 112.91 110.67 2w0n h THR 38 Ca 0.52 -0.24 -0.68 0.00 -0.01 0.00 0.00 66.41 66.00 2w0n h THR 38 Cb 1.56 0.97 -0.32 0.00 -1.07 0.00 0.00 68.15 69.28 2w0n h THR 38 CO 1.16 0.08 -0.71 -0.76 -0.01 0.00 0.00 175.52 175.28 2w0n s LEU 39 N -9.06 3.68 0.03 0.00 1.43 -1.26 -4.61 118.68 108.90 2w0n s LEU 39 Ca -0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2w0n s LEU 39 Cb 0.17 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2w0n s LEU 39 CO 0.70 -0.22 0.13 -0.51 0.23 0.00 0.00 176.35 176.68 2w0n s ILE 40 N 1.28 4.98 0.85 -0.59 2.07 -1.26 -4.90 121.20 123.63 2w0n s ILE 40 Ca -0.04 -0.46 -0.12 0.00 -1.41 0.00 0.00 60.65 58.63 2w0n s ILE 40 Cb -0.19 -3.36 0.10 0.00 0.13 0.00 0.00 42.46 39.14 2w0n s ILE 40 CO -0.02 0.23 1.10 0.20 -1.91 0.00 0.00 174.94 174.53 2w0n s ASN 41 N -2.16 3.97 0.00 4.50 0.02 -1.26 -4.95 114.94 115.07 2w0n s ASN 41 Ca 0.29 1.38 -0.09 0.00 -1.02 0.00 0.00 52.86 53.42 2w0n s ASN 41 Cb -0.12 -2.09 -0.05 0.00 0.02 0.00 0.00 41.25 39.01 2w0n s ASN 41 CO 0.21 -2.31 0.83 0.44 0.02 0.00 0.00 177.10 176.29 2w0n h ASP 42 N -1.32 -0.27 -0.07 -1.22 5.19 -1.99 -2.84 116.42 113.89 2w0n h ASP 42 Ca -0.48 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.96 2w0n h ASP 42 Cb 1.28 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 2w0n h ASP 42 CO 0.57 -0.14 0.06 0.00 -3.12 0.00 0.00 179.24 176.60 2w0n h ALA 43 N -1.75 1.88 -0.03 3.45 0.00 -1.97 -0.86 119.26 119.98 2w0n h ALA 43 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2w0n h ALA 43 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2w0n h ALA 43 CO 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.08 2w0n h ALA 44 N 1.95 1.72 -0.02 0.00 0.00 -1.81 -2.03 119.26 119.07 2w0n h ALA 44 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2w0n h ALA 44 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2w0n h ALA 44 CO -0.00 0.21 -0.59 1.96 0.00 0.00 0.00 179.25 180.83 2w0n h GLN 45 N 0.05 0.07 -0.22 0.00 4.20 -0.90 -3.00 115.11 115.31 2w0n h GLN 45 Ca 0.01 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.73 2w0n h GLN 45 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2w0n h GLN 45 CO 0.02 0.64 0.16 0.93 -0.67 0.00 0.00 178.83 179.91 2w0n h GLU 46 N 0.05 0.04 0.23 1.46 5.08 -1.39 0.62 114.58 120.68 2w0n h GLU 46 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2w0n h GLU 46 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2w0n h GLU 46 CO 0.08 0.03 -0.11 1.25 -1.00 0.00 0.00 179.01 179.26 2w0n h LEU 47 N 0.04 -0.27 0.00 1.33 6.46 -1.59 -3.42 115.31 117.87 2w0n h LEU 47 Ca 0.10 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2w0n h LEU 47 Cb 0.36 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2w0n h LEU 47 CO -0.01 0.24 -0.01 0.25 -0.62 0.00 0.00 178.44 178.30 2w0n h LEU 48 N -1.01 0.00 0.00 2.25 5.85 -1.55 -3.51 115.31 117.34 2w0n h LEU 48 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2w0n h LEU 48 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2w0n h LEU 48 CO 0.05 0.03 0.00 0.59 -0.34 0.00 0.00 178.44 178.78 2w0n n ASN 49 N -2.22 0.00 -3.15 1.25 4.13 0.21 -5.07 115.26 110.41 2w0n n ASN 49 Ca -0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 2w0n n ASN 49 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 2w0n n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2w0n n TYR 50 N 0.07 1.67 -4.03 3.10 4.11 -1.26 -4.41 117.16 116.40 2w0n n TYR 50 Ca 0.00 -3.87 -0.09 0.00 -0.00 0.00 0.00 57.90 53.94 2w0n n TYR 50 Cb 0.00 -0.45 -0.11 0.00 -0.00 0.00 0.00 39.34 38.79 2w0n n TYR 50 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2w0n s ARG 51 N -2.51 0.45 1.15 -3.48 6.06 -1.26 -5.12 118.95 114.25 2w0n s ARG 51 Ca 0.42 -0.86 -0.13 0.00 -2.50 0.00 0.00 55.73 52.66 2w0n s ARG 51 Cb 0.27 0.09 0.28 0.00 0.06 0.00 0.00 34.95 35.65 2w0n s ARG 51 CO -0.09 -0.06 1.03 0.15 -2.50 0.00 0.00 175.30 173.83 2w0n s LYS 52 N -2.38 -0.81 0.00 5.12 1.02 -1.26 -3.18 119.74 118.25 2w0n s LYS 52 Ca -0.07 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.67 2w0n s LYS 52 Cb -0.03 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 2w0n s LYS 52 CO -0.04 -3.63 0.00 0.45 -0.92 0.00 0.00 175.35 171.22 2w0n n SER 53 N -4.84 0.00 0.10 2.83 2.88 -1.26 -4.40 113.62 108.93 2w0n n SER 53 Ca 0.03 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 2w0n n SER 53 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2w0n n SER 53 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2w0n h GLN 54 N 0.00 -0.70 -0.27 -1.46 4.20 -1.99 -2.51 115.11 112.38 2w0n h GLN 54 Ca 0.00 0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2w0n h GLN 54 Cb 0.00 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2w0n h GLN 54 CO 0.00 -0.47 -0.39 0.38 -0.67 0.00 0.00 178.83 177.68 2w0n h ASP 55 N -0.73 0.68 -2.84 1.46 2.03 -1.75 -3.45 116.42 111.81 2w0n h ASP 55 Ca -0.00 -0.30 -0.14 0.00 -0.73 0.00 0.00 57.03 55.86 2w0n h ASP 55 Cb 0.75 -0.19 0.05 0.00 -0.83 0.00 0.00 39.33 39.11 2w0n h ASP 55 CO -0.30 0.99 0.12 0.47 -1.03 0.00 0.00 179.24 179.48 2w0n n ASP 56 N -4.04 0.11 -1.07 4.15 8.00 -0.94 -4.44 116.55 118.31 2w0n n ASP 56 Ca -0.02 -1.19 0.14 0.00 0.71 0.00 0.00 54.79 54.43 2w0n n ASP 56 Cb 0.51 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 2w0n n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2w0n n GLU 57 N -1.85 -2.22 0.00 -1.24 -0.58 -1.26 -4.67 120.64 108.82 2w0n n GLU 57 Ca 0.05 1.53 0.00 0.00 -0.42 0.00 0.00 57.16 58.33 2w0n n GLU 57 Cb 0.19 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.37 2w0n n GLU 57 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2w0n n LYS 58 N -3.56 0.00 -3.42 3.49 4.81 -1.26 -4.33 118.16 113.89 2w0n n LYS 58 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 2w0n n LYS 58 Cb 0.49 -1.00 0.01 0.00 0.02 0.00 0.00 35.03 34.55 2w0n n LYS 58 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2w0n n LEU 59 N -0.50 -4.41 -1.90 3.14 4.32 -1.26 -4.48 117.00 111.91 2w0n n LEU 59 Ca 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 56.01 55.42 2w0n n LEU 59 Cb 0.00 -2.54 0.06 0.00 -1.62 0.00 0.00 43.42 39.32 2w0n n LEU 59 CO 0.00 -0.34 0.12 -1.54 -1.22 0.00 0.00 177.39 174.40 2w0n n SER 60 N -2.22 2.20 -3.43 -1.43 3.41 -1.26 -4.99 113.62 105.90 2w0n n SER 60 Ca -0.14 -2.74 -0.12 0.00 -0.26 0.00 0.00 58.87 55.61 2w0n n SER 60 Cb 0.59 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2w0n n SER 60 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2w0n s THR 61 N -2.88 0.00 0.24 6.66 -4.23 -1.26 -5.02 115.64 109.16 2w0n s THR 61 Ca 0.36 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2w0n s THR 61 Cb 0.37 -1.00 0.24 0.00 1.34 0.00 0.00 72.50 73.45 2w0n s THR 61 CO -0.06 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 175.85 2w0n h LEU 62 N 2.04 1.15 0.00 4.79 3.38 -1.96 -3.46 115.31 121.25 2w0n h LEU 62 Ca -0.33 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2w0n h LEU 62 Cb 1.30 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2w0n h LEU 62 CO 0.38 0.86 0.00 -1.20 0.09 0.00 0.00 178.44 178.57 2w0n n SER 63 N -4.36 -0.85 -4.23 -0.43 7.64 -1.26 -5.13 113.62 104.99 2w0n n SER 63 Ca 0.11 0.29 -0.25 0.00 1.01 0.00 0.00 58.87 60.03 2w0n n SER 63 Cb 0.04 1.03 -0.14 0.00 -1.01 0.00 0.00 64.21 64.13 2w0n n SER 63 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2w0n s HIS 64 N -1.40 1.71 -0.29 1.43 -3.43 -1.26 -5.11 115.29 106.93 2w0n s HIS 64 Ca 0.00 -0.36 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 2w0n s HIS 64 Cb 0.00 -1.03 0.19 0.00 -1.43 0.00 0.00 32.58 30.31 2w0n s HIS 64 CO 0.00 0.07 0.74 0.45 -2.00 0.00 0.00 174.74 174.00 2w0n s SER 65 N -1.06 -1.20 -0.28 7.38 0.15 -1.26 -5.10 113.70 112.33 2w0n s SER 65 Ca 0.07 0.27 0.01 0.00 0.70 0.00 0.00 55.95 57.00 2w0n s SER 65 Cb -0.08 1.82 0.16 0.00 -1.71 0.00 0.00 66.02 66.20 2w0n s SER 65 CO 0.01 -0.22 0.42 0.86 1.20 0.00 0.00 173.24 175.51 2w0n s TRP 66 N 2.88 -1.02 0.08 3.44 -0.00 -1.26 -4.92 118.94 118.14 2w0n s TRP 66 Ca 0.15 0.48 0.00 0.00 -0.00 0.00 0.00 56.10 56.73 2w0n s TRP 66 Cb -0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.29 2w0n s TRP 66 CO -0.23 -0.94 0.00 0.45 -0.00 0.00 0.00 176.95 176.23 2w0n n SER 67 N 5.36 -0.72 -2.79 5.86 2.88 -1.26 -4.99 113.62 117.96 2w0n n SER 67 Ca 0.00 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.71 2w0n n SER 67 Cb 0.50 0.98 0.06 0.00 -0.75 0.00 0.00 64.21 65.00 2w0n n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2w0n n GLN 68 N -2.59 1.60 0.20 -1.46 -0.06 -1.26 -4.90 117.38 108.91 2w0n n GLN 68 Ca 0.00 -3.10 0.04 0.00 -2.00 0.00 0.00 57.00 51.94 2w0n n GLN 68 Cb 0.00 -1.23 0.40 0.00 -4.06 0.00 0.00 30.24 25.35 2w0n n GLN 68 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 2w0n h VAL 69 N 5.02 1.16 -0.05 1.69 -1.51 -1.94 -2.64 116.25 117.98 2w0n h VAL 69 Ca -0.19 -1.19 -0.10 0.00 -1.23 0.00 0.00 66.70 64.00 2w0n h VAL 69 Cb 1.27 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.07 2w0n h VAL 69 CO 0.15 0.33 -0.44 0.58 -1.23 0.00 0.00 177.57 176.96 2w0n h VAL 70 N 0.00 1.32 0.00 7.19 2.07 -2.00 -2.69 116.25 122.14 2w0n h VAL 70 Ca -0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 2w0n h VAL 70 Cb 0.63 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2w0n h VAL 70 CO 0.04 0.45 -0.00 -0.78 0.02 0.00 0.00 177.57 177.31 2w0n h ASP 71 N 0.09 -0.00 -0.13 0.57 1.82 -1.87 -3.23 116.42 113.67 2w0n h ASP 71 Ca 0.00 -0.71 0.04 0.00 -0.39 0.00 0.00 57.03 55.97 2w0n h ASP 71 Cb 0.81 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 2w0n h ASP 71 CO 0.06 0.71 0.11 0.58 -1.61 0.00 0.00 179.24 179.09 2w0n h VAL 72 N -0.71 0.74 0.00 2.25 2.07 -1.52 -0.46 116.25 118.63 2w0n h VAL 72 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2w0n h VAL 72 Cb 0.71 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2w0n h VAL 72 CO 0.00 0.00 -0.00 -1.28 0.02 0.00 0.00 177.57 176.31 2w0n h SER 73 N 0.00 0.00 0.00 0.57 0.87 -1.49 -2.53 113.55 110.98 2w0n h SER 73 Ca 0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2w0n h SER 73 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2w0n h SER 73 CO -0.00 0.00 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.97 2w0n h GLU 74 N 0.00 -0.00 -0.07 2.24 5.08 -1.21 -3.11 114.58 117.52 2w0n h GLU 74 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2w0n h GLU 74 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2w0n h GLU 74 CO 0.00 0.77 0.06 -0.39 -1.00 0.00 0.00 179.01 178.46 2w0n h VAL 75 N -0.80 0.63 0.16 3.13 -1.51 -1.56 -1.43 116.25 114.87 2w0n h VAL 75 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2w0n h VAL 75 Cb 0.78 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2w0n h VAL 75 CO 0.00 0.00 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.20 2w0n h LEU 76 N 0.00 -0.18 -0.62 4.19 4.07 -1.54 -3.29 115.31 117.93 2w0n h LEU 76 Ca 0.03 -0.35 -0.00 0.00 0.08 0.00 0.00 57.88 57.63 2w0n h LEU 76 Cb 0.16 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2w0n h LEU 76 CO -0.00 0.32 0.37 0.03 -1.08 0.00 0.00 178.44 178.09 2w0n h ARG 77 N -0.75 0.85 -7.38 1.13 2.47 -1.39 -3.40 114.38 105.91 2w0n h ARG 77 Ca -0.02 -0.08 -0.44 0.00 -1.26 0.00 0.00 59.98 58.18 2w0n h ARG 77 Cb 0.52 -0.18 0.17 0.00 -1.65 0.00 0.00 29.97 28.83 2w0n h ARG 77 CO 0.04 0.61 0.18 -0.51 0.56 0.00 0.00 179.97 180.84 2w0n s ASP 78 N -5.86 2.01 -0.45 7.04 1.01 -0.57 -4.90 116.67 114.95 2w0n s ASP 78 Ca -0.13 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.09 2w0n s ASP 78 Cb 0.13 -1.46 0.42 0.00 1.01 0.00 0.00 42.92 43.02 2w0n s ASP 78 CO 0.77 -3.48 1.90 0.61 0.21 0.00 0.00 175.17 175.18 2w0n n GLY 79 N -1.12 4.65 3.89 0.21 0.00 -1.26 -4.69 105.19 106.87 2w0n n GLY 79 Ca 0.08 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2w0n n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w0n s THR 80 N -3.28 5.15 0.14 2.61 -4.23 -1.26 -5.02 115.64 109.75 2w0n s THR 80 Ca 0.48 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 61.05 2w0n s THR 80 Cb 0.39 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.64 2w0n s THR 80 CO 0.03 0.04 0.13 -0.81 -0.54 0.00 0.00 174.62 173.47 2w0n n PRO 81 N 0.11 -1.22 -3.75 3.99 -0.04 -1.26 -4.45 135.00 128.38 2w0n n PRO 81 Ca -0.02 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.10 2w0n n PRO 81 Cb 0.52 -0.19 -0.08 0.00 -0.04 0.00 0.00 33.50 33.71 2w0n n PRO 81 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2w0n s ARG 82 N -3.29 0.71 0.08 0.54 6.06 -1.26 -4.97 118.95 116.82 2w0n s ARG 82 Ca 0.08 -0.21 -0.00 0.00 -2.50 0.00 0.00 55.73 53.10 2w0n s ARG 82 Cb -0.01 0.31 -0.04 0.00 0.06 0.00 0.00 34.95 35.27 2w0n s ARG 82 CO 0.06 -0.20 0.24 1.03 -2.50 0.00 0.00 175.30 173.93 2w0n s ARG 83 N -1.49 3.46 0.09 5.12 3.00 -1.26 -5.09 118.95 122.78 2w0n s ARG 83 Ca -0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 55.73 55.19 2w0n s ARG 83 Cb -0.04 -3.01 -0.04 0.00 0.00 0.00 0.00 34.95 31.86 2w0n s ARG 83 CO 0.04 0.58 0.25 0.16 0.00 0.00 0.00 175.30 176.33 2w0n s ASP 84 N -2.59 6.37 0.11 0.23 1.47 -1.26 -4.91 116.67 116.10 2w0n s ASP 84 Ca 0.36 0.30 0.07 0.00 1.18 0.00 0.00 52.55 54.46 2w0n s ASP 84 Cb -0.13 -1.97 -0.04 0.00 -0.34 0.00 0.00 42.92 40.44 2w0n s ASP 84 CO 0.28 0.13 -0.10 -1.83 0.68 0.00 0.00 175.17 174.33 2w0n s GLU 85 N -2.68 2.13 -0.60 2.11 -1.05 -1.26 -5.03 118.70 112.32 2w0n s GLU 85 Ca 0.36 -1.03 -0.09 0.00 -0.15 0.00 0.00 54.97 54.06 2w0n s GLU 85 Cb -0.12 -2.31 0.15 0.00 -0.44 0.00 0.00 34.13 31.41 2w0n s GLU 85 CO 0.28 0.50 0.47 -2.00 0.95 0.00 0.00 175.26 175.47 2w0n s GLU 86 N -2.24 2.78 -0.55 -4.83 2.12 -1.26 -2.34 118.70 112.37 2w0n s GLU 86 Ca 0.22 -2.11 -0.04 0.00 0.36 0.00 0.00 54.97 53.39 2w0n s GLU 86 Cb -0.11 -4.01 0.14 0.00 0.26 0.00 0.00 34.13 30.41 2w0n s GLU 86 CO 0.14 -1.22 0.38 0.42 -0.54 0.00 0.00 175.26 174.44 2w0n s ILE 87 N 0.75 3.78 -0.30 -3.70 1.09 -1.11 -4.77 121.20 116.93 2w0n s ILE 87 Ca 0.11 -2.49 -0.05 0.00 -1.10 0.00 0.00 60.65 57.12 2w0n s ILE 87 Cb -0.21 -3.49 0.02 0.00 -1.06 0.00 0.00 42.46 37.72 2w0n s ILE 87 CO -0.03 -0.82 0.06 0.28 -0.10 0.00 0.00 174.94 174.33 2w0n s THR 88 N 0.52 3.65 0.29 2.92 -1.32 -1.26 0.62 115.64 121.06 2w0n s THR 88 Ca 0.13 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.70 2w0n s THR 88 Cb -0.21 -2.95 0.29 0.00 -1.51 0.00 0.00 72.50 68.11 2w0n s THR 88 CO -0.04 0.00 1.81 0.16 -2.21 0.00 0.00 174.62 174.35 2w0n h ILE 89 N 6.05 0.83 0.00 5.08 3.07 -1.95 -3.41 117.51 127.19 2w0n h ILE 89 Ca -0.28 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2w0n h ILE 89 Cb 1.10 -0.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 2w0n h ILE 89 CO 0.59 0.16 0.00 0.29 -1.05 0.00 0.00 178.15 178.15 2w0n n LYS 90 N -4.68 0.00 -0.51 0.16 4.76 -1.26 -5.02 118.16 111.62 2w0n n LYS 90 Ca 0.21 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2w0n n LYS 90 Cb 0.44 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2w0n n LYS 90 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2w0n n ASP 91 N -0.93 0.00 0.00 4.39 8.00 -1.26 -5.04 116.55 121.71 2w0n n ASP 91 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2w0n n ASP 91 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2w0n n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2w0n n ARG 92 N 0.00 0.00 0.00 -1.24 1.74 -1.26 -5.09 116.66 110.81 2w0n n ARG 92 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2w0n n ARG 92 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2w0n n ARG 92 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2w0n n LEU 93 N 0.00 0.00 -4.15 0.55 -0.00 -1.26 -4.81 117.00 107.33 2w0n n LEU 93 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2w0n n LEU 93 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 2w0n n LEU 93 CO 0.00 0.00 -0.19 -0.76 -0.00 0.00 0.00 177.39 176.44 2w0n s LEU 94 N 0.00 5.02 -0.48 1.47 1.43 0.20 -4.79 118.68 121.53 2w0n s LEU 94 Ca 0.00 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.18 2w0n s LEU 94 Cb 0.00 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.51 2w0n s LEU 94 CO 0.00 -0.50 0.36 -1.48 0.23 0.00 0.00 176.35 174.96 2w0n s LEU 95 N 1.21 5.73 -0.55 1.79 0.05 -0.99 -2.76 118.68 123.15 2w0n s LEU 95 Ca 0.05 -1.93 -0.16 0.00 0.05 0.00 0.00 54.13 52.14 2w0n s LEU 95 Cb -0.22 -2.02 0.13 0.00 -2.05 0.00 0.00 46.19 42.03 2w0n s LEU 95 CO -0.03 -0.70 0.51 -0.63 -0.55 0.00 0.00 176.35 174.95 2w0n s ILE 96 N 1.34 5.19 -0.02 1.48 1.09 -1.26 -4.69 121.20 124.33 2w0n s ILE 96 Ca 0.06 -1.55 -0.16 0.00 -1.10 0.00 0.00 60.65 57.90 2w0n s ILE 96 Cb -0.26 -4.32 0.03 0.00 -1.06 0.00 0.00 42.46 36.84 2w0n s ILE 96 CO -0.01 -0.87 0.34 0.20 -0.10 0.00 0.00 174.94 174.50 2w0n s ASN 97 N 3.50 -0.22 -0.08 3.58 -0.87 -0.19 -4.97 114.94 115.70 2w0n s ASN 97 Ca 0.04 0.12 -0.03 0.00 -1.57 0.00 0.00 52.86 51.43 2w0n s ASN 97 Cb -0.29 0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 41.23 2w0n s ASN 97 CO 0.02 -0.46 0.04 -0.89 -2.57 0.00 0.00 177.10 173.25 2w0n s THR 98 N -1.34 4.64 0.04 1.60 2.01 -1.26 -2.00 115.64 119.32 2w0n s THR 98 Ca -0.13 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2w0n s THR 98 Cb -0.05 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2w0n s THR 98 CO 0.05 0.56 -0.09 0.68 -0.69 0.00 0.00 174.62 175.12 2w0n s VAL 99 N -0.98 0.68 -0.55 3.82 -7.23 -0.93 -4.84 120.40 110.37 2w0n s VAL 99 Ca 0.15 -1.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 2w0n s VAL 99 Cb -0.12 -0.70 0.12 0.00 0.56 0.00 0.00 36.38 36.24 2w0n s VAL 99 CO 0.05 -0.29 0.54 -2.16 -0.31 0.00 0.00 175.10 172.93 2w0n s PRO 100 N -1.48 3.00 0.28 4.82 0.04 -1.26 -2.69 135.00 137.72 2w0n s PRO 100 Ca -0.07 -1.61 0.04 0.00 0.04 0.00 0.00 61.00 59.40 2w0n s PRO 100 Cb -0.09 -4.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 2w0n s PRO 100 CO 0.01 -1.37 0.30 1.33 0.04 0.00 0.00 177.00 177.31 2w0n n VAL 101 N 5.32 0.00 -2.77 -0.36 0.24 -1.26 -4.73 118.33 114.77 2w0n n VAL 101 Ca -0.13 -1.83 -0.10 0.00 -2.04 0.00 0.00 64.34 60.24 2w0n n VAL 101 Cb 0.41 0.98 0.05 0.00 -1.47 0.00 0.00 33.84 33.81 2w0n n VAL 101 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2w0n n ARG 102 N -0.51 -3.39 -3.64 7.34 0.63 -1.26 -4.83 116.66 111.00 2w0n n ARG 102 Ca 0.04 0.49 -0.06 0.00 -0.92 0.00 0.00 57.85 57.41 2w0n n ARG 102 Cb 0.50 -4.36 -0.06 0.00 0.45 0.00 0.00 32.46 28.99 2w0n n ARG 102 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2w0n s SER 103 N -3.69 -0.99 0.02 6.15 0.15 -1.26 -5.05 113.70 109.04 2w0n s SER 103 Ca 0.04 1.52 -0.24 0.00 0.70 0.00 0.00 55.95 57.97 2w0n s SER 103 Cb -0.01 1.61 -0.17 0.00 -1.71 0.00 0.00 66.02 65.74 2w0n s SER 103 CO 0.42 -0.23 1.43 -1.13 1.20 0.00 0.00 173.24 174.93 2w0n h ASN 104 N 7.26 0.06 -4.48 5.45 -0.00 -2.03 -3.47 115.58 118.37 2w0n h ASN 104 Ca -0.27 -0.33 -0.10 0.00 -0.00 0.00 0.00 56.30 55.60 2w0n h ASN 104 Cb 1.20 -0.02 -0.22 0.00 -0.00 0.00 0.00 38.32 39.29 2w0n h ASN 104 CO 0.15 0.37 -0.15 -0.83 -0.00 0.00 0.00 177.43 176.97 2w0n s GLY 105 N -2.90 -0.31 -0.80 1.57 0.00 -1.26 -4.99 107.32 98.63 2w0n s GLY 105 Ca -0.15 0.95 -0.01 0.00 0.00 0.00 0.00 44.72 45.51 2w0n s GLY 105 CO 0.68 0.73 0.74 -0.62 0.00 0.00 0.00 173.10 174.63 2w0n n VAL 106 N 1.95 -9.81 -1.55 1.40 0.31 -1.26 -4.81 118.33 104.56 2w0n n VAL 106 Ca -0.17 -0.44 -0.48 0.00 -0.01 0.00 0.00 64.34 63.24 2w0n n VAL 106 Cb 0.57 -6.75 -0.05 0.00 -0.91 0.00 0.00 33.84 26.70 2w0n n VAL 106 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2w0n n ILE 107 N -2.08 0.32 -0.05 2.52 -5.35 -1.26 -4.86 119.36 108.61 2w0n n ILE 107 Ca -0.02 -0.29 -0.02 0.00 -0.27 0.00 0.00 62.75 62.15 2w0n n ILE 107 Cb 0.53 -1.97 -0.01 0.00 -1.74 0.00 0.00 39.64 36.45 2w0n n ILE 107 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2w0n h ILE 108 N 6.74 0.00 -4.90 7.28 1.08 -1.95 -3.49 117.51 122.27 2w0n h ILE 108 Ca -0.36 -0.70 -0.43 0.00 -0.39 0.00 0.00 64.86 62.98 2w0n h ILE 108 Cb 1.29 0.00 0.11 0.00 -3.07 0.00 0.00 36.82 35.14 2w0n h ILE 108 CO 0.99 0.00 0.20 0.61 -0.69 0.00 0.00 178.15 179.26 2w0n n GLY 109 N 1.70 -0.02 3.25 5.37 0.00 -1.26 -4.42 105.19 109.81 2w0n n GLY 109 Ca -0.04 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2w0n n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w0n s ALA 110 N -3.42 -0.83 -0.19 4.61 0.00 -0.64 -4.74 121.76 116.55 2w0n s ALA 110 Ca 0.66 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2w0n s ALA 110 Cb -0.03 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 2w0n s ALA 110 CO 0.44 -0.27 0.14 0.42 0.00 0.00 0.00 175.76 176.49 2w0n s ILE 111 N -1.34 5.41 -0.18 0.00 1.01 -1.09 -0.47 121.20 124.54 2w0n s ILE 111 Ca -0.13 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 2w0n s ILE 111 Cb -0.05 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2w0n s ILE 111 CO 0.04 0.45 0.14 -0.94 0.00 0.00 0.00 174.94 174.63 2w0n s SER 112 N 0.29 6.27 -0.40 3.58 1.04 -1.25 -2.20 113.70 121.03 2w0n s SER 112 Ca 0.09 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 2w0n s SER 112 Cb -0.11 -2.09 0.09 0.00 0.10 0.00 0.00 66.02 64.01 2w0n s SER 112 CO -0.01 0.24 0.21 -0.89 0.98 0.00 0.00 173.24 173.76 2w0n s THR 113 N 0.01 3.65 -0.13 2.02 2.01 -0.85 -4.79 115.64 117.55 2w0n s THR 113 Ca 0.10 -1.72 -0.11 0.00 0.31 0.00 0.00 61.69 60.26 2w0n s THR 113 Cb -0.11 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.09 2w0n s THR 113 CO -0.00 -0.56 0.35 0.72 -0.69 0.00 0.00 174.62 174.43 2w0n s PHE 114 N 1.27 -0.41 -0.03 4.92 -0.12 -1.26 -1.02 117.98 121.34 2w0n s PHE 114 Ca 0.04 0.97 -0.01 0.00 -0.05 0.00 0.00 56.93 57.88 2w0n s PHE 114 Cb -0.23 0.14 0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2w0n s PHE 114 CO -0.01 -0.21 0.05 1.03 -0.05 0.00 0.00 175.22 176.03 2w0n s ARG 115 N 0.40 -0.06 0.02 1.99 0.52 -1.26 -5.10 118.95 115.46 2w0n s ARG 115 Ca -0.02 0.30 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2w0n s ARG 115 Cb -0.04 -0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.01 2w0n s ARG 115 CO -0.02 -0.26 -0.02 0.34 0.02 0.00 0.00 175.30 175.37 2w0n s ASP 116 N 1.68 4.98 -1.49 0.23 -1.08 -1.26 -4.52 116.67 115.21 2w0n s ASP 116 Ca -0.01 -0.07 -0.05 0.00 -0.52 0.00 0.00 52.55 51.90 2w0n s ASP 116 Cb -0.12 -1.25 0.02 0.00 -1.46 0.00 0.00 42.92 40.10 2w0n s ASP 116 CO -0.03 0.26 0.47 1.17 0.52 0.00 0.00 175.17 177.57 2w0n n LYS 117 N 1.29 -4.04 0.00 4.34 4.81 -1.26 -5.06 118.16 118.24 2w0n n LYS 117 Ca -0.14 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2w0n n LYS 117 Cb 0.52 -5.60 0.00 0.00 0.02 0.00 0.00 35.03 29.98 2w0n n LYS 117 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98