#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2n s THR 22 N 0.00 0.05 -0.33 2.62 -1.32 -1.26 -4.96 115.64 110.44 1l2n s THR 22 Ca 0.00 -1.53 -0.15 0.00 -1.21 0.00 0.00 61.69 58.80 1l2n s THR 22 Cb 0.00 -2.03 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1l2n s THR 22 CO 0.00 -0.21 0.34 -2.28 -2.21 0.00 0.00 174.62 170.26 1l2n s HIS 23 N -4.01 3.22 0.38 9.09 2.46 -1.26 0.32 115.29 125.48 1l2n s HIS 23 Ca 0.22 0.00 -0.09 0.00 0.47 0.00 0.00 55.06 55.67 1l2n s HIS 23 Cb 0.03 -2.62 0.04 0.00 -0.13 0.00 0.00 32.58 29.90 1l2n s HIS 23 CO 0.04 -0.39 0.66 0.44 -2.47 0.00 0.00 174.74 173.02 1l2n n ILE 24 N 5.20 0.00 -4.22 0.89 -5.35 -0.86 -4.85 119.36 110.17 1l2n n ILE 24 Ca -0.10 -1.37 -0.26 0.00 -0.27 0.00 0.00 62.75 60.75 1l2n n ILE 24 Cb 0.50 1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 39.37 1l2n n ILE 24 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1l2n s ASN 25 N -3.14 4.73 0.05 7.28 2.20 -1.26 -1.73 114.94 123.07 1l2n s ASN 25 Ca 0.22 -0.42 0.07 0.00 -0.94 0.00 0.00 52.86 51.79 1l2n s ASN 25 Cb -0.03 -0.99 -0.03 0.00 -2.00 0.00 0.00 41.25 38.20 1l2n s ASN 25 CO 0.16 0.08 -0.20 -0.22 -2.94 0.00 0.00 177.10 173.98 1l2n s LEU 26 N -2.99 2.18 -0.15 3.54 0.20 0.47 -2.42 118.68 119.50 1l2n s LEU 26 Ca 0.28 -0.53 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 1l2n s LEU 26 Cb -0.09 -0.95 0.05 0.00 -0.43 0.00 0.00 46.19 44.77 1l2n s LEU 26 CO 0.18 0.14 0.04 -0.75 -0.29 0.00 0.00 176.35 175.68 1l2n s LYS 27 N -1.24 0.52 -0.27 1.98 2.36 0.25 -1.82 119.74 121.52 1l2n s LYS 27 Ca 0.07 -0.20 -0.12 0.00 -2.55 0.00 0.00 55.97 53.17 1l2n s LYS 27 Cb -0.09 -1.72 -0.05 0.00 -1.05 0.00 0.00 37.83 34.92 1l2n s LYS 27 CO 0.02 -0.55 0.24 0.14 1.55 0.00 0.00 175.35 176.75 1l2n s VAL 28 N 1.95 5.28 -0.04 4.02 -7.23 -0.31 -2.59 120.40 121.47 1l2n s VAL 28 Ca 0.01 0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 1l2n s VAL 28 Cb -0.15 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1l2n s VAL 28 CO -0.07 0.23 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.96 1l2n s SER 29 N 1.67 4.77 0.10 4.85 1.04 -0.38 -1.17 113.70 124.59 1l2n s SER 29 Ca 0.09 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 1l2n s SER 29 Cb -0.16 -1.20 0.07 0.00 0.10 0.00 0.00 66.02 64.83 1l2n s SER 29 CO 0.10 0.34 0.63 -0.62 0.98 0.00 0.00 173.24 174.66 1l2n s ASP 30 N -1.06 -0.59 0.01 7.02 3.68 0.25 0.57 116.67 126.55 1l2n s ASP 30 Ca 0.14 0.21 -0.02 0.00 2.13 0.00 0.00 52.55 55.01 1l2n s ASP 30 Cb -0.11 0.58 -0.00 0.00 -1.45 0.00 0.00 42.92 41.94 1l2n s ASP 30 CO 0.04 -0.86 0.28 0.61 0.13 0.00 0.00 175.17 175.37 1l2n n GLY 31 N -0.01 -0.75 0.00 2.66 0.00 -1.26 -2.12 105.19 103.71 1l2n n GLY 31 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1l2n n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l2n n SER 32 N -2.71 0.53 -4.31 1.61 2.88 -1.26 -4.93 113.62 105.44 1l2n n SER 32 Ca 0.00 -0.77 -0.45 0.00 -1.33 0.00 0.00 58.87 56.32 1l2n n SER 32 Cb 0.01 0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1l2n n SER 32 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1l2n s SER 33 N -0.41 6.12 -0.10 -3.46 0.15 -0.90 -5.01 113.70 110.09 1l2n s SER 33 Ca 0.00 -1.75 -0.02 0.00 0.70 0.00 0.00 55.95 54.87 1l2n s SER 33 Cb 0.00 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1l2n s SER 33 CO 0.00 -0.81 0.04 -1.83 1.20 0.00 0.00 173.24 171.83 1l2n s GLU 34 N 1.57 0.31 0.05 5.44 -1.05 -1.26 0.86 118.70 124.64 1l2n s GLU 34 Ca 0.03 0.08 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 1l2n s GLU 34 Cb -0.29 -1.14 -0.03 0.00 -0.44 0.00 0.00 34.13 32.24 1l2n s GLU 34 CO 0.03 -0.42 -0.10 -1.50 0.95 0.00 0.00 175.26 174.22 1l2n s ILE 35 N 2.04 0.73 -0.03 1.83 -1.16 -0.31 -5.02 121.20 119.29 1l2n s ILE 35 Ca 0.04 -1.19 0.00 0.00 -0.51 0.00 0.00 60.65 58.99 1l2n s ILE 35 Cb -0.13 -0.80 0.03 0.00 0.61 0.00 0.00 42.46 42.16 1l2n s ILE 35 CO -0.06 -0.35 0.00 0.72 -2.81 0.00 0.00 174.94 172.45 1l2n s PHE 36 N -1.44 0.27 0.14 3.50 -0.71 -1.26 -1.16 117.98 117.32 1l2n s PHE 36 Ca -0.06 0.02 -0.17 0.00 -1.04 0.00 0.00 56.93 55.67 1l2n s PHE 36 Cb -0.09 -0.37 0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1l2n s PHE 36 CO 0.01 -0.12 0.45 -0.06 -1.34 0.00 0.00 175.22 174.16 1l2n s PHE 37 N 0.96 -0.24 -0.08 3.49 0.08 -0.76 -5.04 117.98 116.39 1l2n s PHE 37 Ca -0.09 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 56.94 1l2n s PHE 37 Cb -0.13 0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.64 1l2n s PHE 37 CO -0.02 -0.76 -0.24 0.15 -0.10 0.00 0.00 175.22 174.26 1l2n s LYS 38 N -3.81 2.77 0.31 0.44 3.01 -1.26 -0.40 119.74 120.81 1l2n s LYS 38 Ca 0.04 -0.88 0.06 0.00 -1.01 0.00 0.00 55.97 54.17 1l2n s LYS 38 Cb 0.01 -2.23 -0.02 0.00 -1.01 0.00 0.00 37.83 34.57 1l2n s LYS 38 CO -0.11 0.30 0.29 -0.89 0.51 0.00 0.00 175.35 175.46 1l2n n ILE 39 N 3.17 0.00 -3.01 2.17 -0.00 -0.70 -4.97 119.36 116.01 1l2n n ILE 39 Ca -0.18 -2.19 -0.43 0.00 -0.00 0.00 0.00 62.75 59.95 1l2n n ILE 39 Cb 0.52 1.12 0.01 0.00 -0.00 0.00 0.00 39.64 41.29 1l2n n ILE 39 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1l2n n LYS 40 N -0.58 4.31 0.00 0.38 3.00 -1.26 -2.04 118.16 121.97 1l2n n LYS 40 Ca 0.06 -4.49 0.00 0.00 -0.00 0.00 0.00 58.31 53.89 1l2n n LYS 40 Cb 0.56 -2.54 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1l2n n LYS 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1l2n n LYS 41 N 1.66 0.00 -0.08 1.64 5.02 0.15 -4.69 118.16 121.86 1l2n n LYS 41 Ca 0.26 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.33 1l2n n LYS 41 Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.23 1l2n n LYS 41 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1l2n n THR 42 N -0.03 1.61 -0.81 -0.18 5.66 -0.85 -4.20 114.28 115.47 1l2n n THR 42 Ca 0.00 -0.39 -0.12 0.00 -3.05 0.00 0.00 64.05 60.48 1l2n n THR 42 Cb 0.00 -1.81 -0.12 0.00 -1.55 0.00 0.00 70.33 66.85 1l2n n THR 42 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1l2n n THR 43 N -3.89 0.00 -0.04 1.09 5.66 -1.26 -4.69 114.28 111.15 1l2n n THR 43 Ca -0.38 -0.26 -0.13 0.00 -3.05 0.00 0.00 64.05 60.23 1l2n n THR 43 Cb 0.89 -0.01 -0.11 0.00 -1.55 0.00 0.00 70.33 69.55 1l2n n THR 43 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1l2n h PRO 44 N 5.99 -0.01 -0.68 1.09 0.13 -1.90 -1.56 132.00 135.07 1l2n h PRO 44 Ca 0.02 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.25 1l2n h PRO 44 Cb 0.62 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.64 1l2n h PRO 44 CO 0.88 0.72 -0.28 1.47 -0.23 0.00 0.00 178.00 180.55 1l2n n LEU 45 N -4.74 -0.48 0.07 1.56 -0.00 -1.26 0.25 117.00 112.41 1l2n n LEU 45 Ca -0.09 1.19 -0.13 0.00 -0.00 0.00 0.00 56.01 56.99 1l2n n LEU 45 Cb 0.36 -0.26 -0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1l2n n LEU 45 CO 0.33 -1.06 0.17 0.03 -0.00 0.00 0.00 177.39 176.86 1l2n h ARG 46 N 0.00 0.35 0.00 1.47 3.08 -1.93 -2.79 114.38 114.55 1l2n h ARG 46 Ca 0.22 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1l2n h ARG 46 Cb 0.39 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1l2n h ARG 46 CO -0.67 1.09 0.00 -2.13 -1.07 0.00 0.00 179.97 177.18 1l2n n ARG 47 N -3.71 0.00 -0.32 0.04 3.00 0.69 -2.56 116.66 113.81 1l2n n ARG 47 Ca -0.06 0.44 0.16 0.00 -0.00 0.00 0.00 57.85 58.38 1l2n n ARG 47 Cb 0.85 -1.33 0.35 0.00 0.00 0.00 0.00 32.46 32.32 1l2n n ARG 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1l2n h LEU 48 N 0.00 0.45 -1.00 6.15 5.85 -0.17 0.94 115.31 127.54 1l2n h LEU 48 Ca 0.00 0.15 0.32 0.00 0.84 0.00 0.00 57.88 59.19 1l2n h LEU 48 Cb 0.00 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 40.95 1l2n h LEU 48 CO 0.00 0.01 0.17 0.80 -0.34 0.00 0.00 178.44 179.09 1l2n n MET 49 N -5.00 -0.07 -0.13 1.25 1.56 -1.05 0.13 117.12 113.80 1l2n n MET 49 Ca 0.25 1.46 -0.20 0.00 -0.27 0.00 0.00 57.70 58.93 1l2n n MET 49 Cb 0.72 -2.40 -0.11 0.00 2.15 0.00 0.00 33.22 33.57 1l2n n MET 49 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1l2n n GLU 50 N -5.42 0.63 0.20 2.12 4.07 0.61 -3.94 120.64 118.90 1l2n n GLU 50 Ca 0.28 0.17 -0.10 0.00 -0.06 0.00 0.00 57.16 57.45 1l2n n GLU 50 Cb 0.92 -1.51 -0.05 0.00 -0.06 0.00 0.00 31.44 30.74 1l2n n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l2n h ALA 51 N -0.21 -1.05 0.00 4.31 0.00 0.15 0.59 119.26 123.06 1l2n h ALA 51 Ca -0.60 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1l2n h ALA 51 Cb 1.83 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1l2n h ALA 51 CO -0.16 -1.04 0.17 0.27 0.00 0.00 0.00 179.25 178.49 1l2n h PHE 52 N -0.60 0.00 -0.07 0.00 -5.15 0.91 1.56 116.94 113.59 1l2n h PHE 52 Ca -0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 1l2n h PHE 52 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 1l2n h PHE 52 CO -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.24 1l2n n ALA 53 N -1.80 2.46 0.00 12.09 0.00 -0.44 -2.86 120.51 129.96 1l2n n ALA 53 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 53.44 52.73 1l2n n ALA 53 Cb 0.21 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1l2n n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1l2n n LYS 54 N 1.32 0.64 -0.14 0.00 5.02 0.53 -2.36 118.16 123.18 1l2n n LYS 54 Ca 0.15 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 1l2n n LYS 54 Cb 0.59 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 1l2n n LYS 54 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1l2n n ARG 55 N -2.65 0.59 -0.11 1.97 0.00 -1.03 -4.40 116.66 111.03 1l2n n ARG 55 Ca -0.12 0.28 -0.14 0.00 -0.00 0.00 0.00 57.85 57.87 1l2n n ARG 55 Cb 0.79 -1.51 -0.14 0.00 0.00 0.00 0.00 32.46 31.61 1l2n n ARG 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1l2n n GLN 56 N -4.25 0.67 0.12 -0.14 -0.06 -1.13 -4.18 117.38 108.41 1l2n n GLN 56 Ca -0.53 0.09 0.08 0.00 -2.00 0.00 0.00 57.00 54.64 1l2n n GLN 56 Cb 0.88 -1.54 0.44 0.00 -4.06 0.00 0.00 30.24 25.95 1l2n n GLN 56 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1l2n n GLY 57 N 2.00 -0.80 0.34 1.69 0.00 -0.99 -1.50 105.19 105.92 1l2n n GLY 57 Ca -0.38 0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1l2n n GLY 57 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1l2n h LYS 58 N 0.00 0.64 0.00 1.61 3.11 -1.64 0.69 116.57 120.97 1l2n h LYS 58 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1l2n h LYS 58 Cb 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.11 1l2n h LYS 58 CO 0.00 0.42 -0.78 -1.91 -2.81 0.00 0.00 179.45 174.37 1l2n n GLU 59 N -4.47 0.10 -2.30 1.90 2.13 -0.56 -4.94 120.64 112.49 1l2n n GLU 59 Ca 0.09 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.77 1l2n n GLU 59 Cb 0.21 -1.54 -0.01 0.00 0.27 0.00 0.00 31.44 30.37 1l2n n GLU 59 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1l2n n MET 60 N -1.67 -2.02 -0.00 5.31 2.81 0.23 -4.78 117.12 117.00 1l2n n MET 60 Ca 0.04 0.70 0.10 0.00 -1.81 0.00 0.00 57.70 56.72 1l2n n MET 60 Cb 0.37 -5.26 -0.13 0.00 -0.71 0.00 0.00 33.22 27.49 1l2n n MET 60 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1l2n n ASP 61 N -1.68 0.77 -4.16 7.83 8.00 -1.26 -4.87 116.55 121.17 1l2n n ASP 61 Ca -0.16 -0.74 -0.32 0.00 0.71 0.00 0.00 54.79 54.27 1l2n n ASP 61 Cb 0.60 1.24 -0.17 0.00 -0.02 0.00 0.00 41.12 42.78 1l2n n ASP 61 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1l2n s SER 62 N -3.31 3.01 -0.05 -2.24 1.04 -1.26 -3.84 113.70 107.05 1l2n s SER 62 Ca 0.04 -0.57 0.25 0.00 0.48 0.00 0.00 55.95 56.15 1l2n s SER 62 Cb 0.15 -1.39 0.44 0.00 0.10 0.00 0.00 66.02 65.32 1l2n s SER 62 CO 0.85 0.08 1.16 0.00 0.98 0.00 0.00 173.24 176.31 1l2n n LEU 63 N 4.02 1.06 -4.20 2.42 -0.00 -1.17 -4.63 117.00 114.49 1l2n n LEU 63 Ca -0.20 -2.18 -0.40 0.00 -0.00 0.00 0.00 56.01 53.23 1l2n n LEU 63 Cb 0.52 0.08 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 1l2n n LEU 63 CO 0.27 0.61 -0.05 -0.60 -0.00 0.00 0.00 177.39 177.62 1l2n s ARG 64 N -0.66 2.41 -0.27 1.47 3.52 -0.61 -4.75 118.95 120.06 1l2n s ARG 64 Ca 0.32 -1.75 -0.08 0.00 -0.13 0.00 0.00 55.73 54.09 1l2n s ARG 64 Cb 0.37 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1l2n s ARG 64 CO -0.14 -1.16 0.11 -0.59 -0.81 0.00 0.00 175.30 172.71 1l2n s PHE 65 N 1.33 3.13 0.38 5.12 -0.12 -1.26 0.17 117.98 126.73 1l2n s PHE 65 Ca 0.06 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.45 1l2n s PHE 65 Cb -0.25 -2.29 0.04 0.00 -0.63 0.00 0.00 43.02 39.89 1l2n s PHE 65 CO -0.01 -0.36 0.69 1.47 -0.05 0.00 0.00 175.22 176.97 1l2n n LEU 66 N 4.96 0.00 -0.04 -1.99 -0.00 -0.52 -4.35 117.00 115.07 1l2n n LEU 66 Ca -0.15 -2.71 -0.08 0.00 -0.00 0.00 0.00 56.01 53.07 1l2n n LEU 66 Cb 0.51 3.43 -0.03 0.00 -0.00 0.00 0.00 43.42 47.33 1l2n n LEU 66 CO 0.32 -0.80 -0.76 0.00 -0.00 0.00 0.00 177.39 176.15 1l2n n TYR 67 N -0.56 0.00 0.01 1.47 4.19 0.60 -0.64 117.16 122.23 1l2n n TYR 67 Ca -0.06 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.15 1l2n n TYR 67 Cb 0.60 -0.27 -0.00 0.00 0.49 0.00 0.00 39.34 40.16 1l2n n TYR 67 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1l2n n ASP 68 N -3.26 0.29 -2.07 2.98 8.00 -1.26 -4.48 116.55 116.74 1l2n n ASP 68 Ca -0.15 0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.37 1l2n n ASP 68 Cb 0.61 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1l2n n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l2n n GLY 69 N 3.40 -0.22 2.69 0.44 0.00 -1.26 -5.00 105.19 105.23 1l2n n GLY 69 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1l2n n GLY 69 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1l2n n ILE 70 N -0.46 0.04 -4.14 -0.61 -5.35 -1.26 -4.99 119.36 102.59 1l2n n ILE 70 Ca -0.10 -1.41 -0.29 0.00 -0.27 0.00 0.00 62.75 60.68 1l2n n ILE 70 Cb 0.63 0.99 -0.08 0.00 -1.74 0.00 0.00 39.64 39.44 1l2n n ILE 70 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1l2n n ARG 71 N -0.88 -0.91 -3.74 6.28 0.00 -1.26 -4.91 116.66 111.24 1l2n n ARG 71 Ca -0.07 0.08 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1l2n n ARG 71 Cb 0.86 -3.18 -0.04 0.00 -0.00 0.00 0.00 32.46 30.09 1l2n n ARG 71 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1l2n s ILE 72 N -4.23 2.51 0.33 8.89 -4.36 -1.26 -4.82 121.20 118.25 1l2n s ILE 72 Ca 0.02 -1.45 0.07 0.00 -0.26 0.00 0.00 60.65 59.03 1l2n s ILE 72 Cb -0.01 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1l2n s ILE 72 CO 0.90 0.00 0.30 0.00 0.24 0.00 0.00 174.94 176.38 1l2n n GLN 73 N -1.47 0.43 0.00 0.37 3.00 -1.26 0.22 117.38 118.67 1l2n n GLN 73 Ca 0.02 -3.24 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 1l2n n GLN 73 Cb 0.63 2.69 0.00 0.00 0.00 0.00 0.00 30.24 33.56 1l2n n GLN 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1l2n n ALA 74 N -0.74 0.00 -1.27 -1.58 0.00 -1.25 -4.60 120.51 111.08 1l2n n ALA 74 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1l2n n ALA 74 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 1l2n n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1l2n n ASP 75 N 0.00 6.63 0.06 0.00 9.92 -1.26 -4.49 116.55 127.41 1l2n n ASP 75 Ca 0.00 -3.23 0.08 0.00 -0.53 0.00 0.00 54.79 51.10 1l2n n ASP 75 Cb 0.00 -1.14 0.34 0.00 -0.64 0.00 0.00 41.12 39.68 1l2n n ASP 75 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1l2n n GLN 76 N 0.45 0.08 -3.29 -1.24 0.00 -1.26 -3.71 117.38 108.40 1l2n n GLN 76 Ca 0.43 0.40 -0.34 0.00 -0.00 0.00 0.00 57.00 57.49 1l2n n GLN 76 Cb 0.56 -1.67 -0.06 0.00 0.00 0.00 0.00 30.24 29.07 1l2n n GLN 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1l2n s THR 77 N -3.17 4.79 -1.00 1.69 2.01 -1.26 -4.66 115.64 114.04 1l2n s THR 77 Ca 0.04 0.84 0.22 0.00 0.31 0.00 0.00 61.69 63.10 1l2n s THR 77 Cb 0.07 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 69.06 1l2n s THR 77 CO 0.24 0.09 1.70 -0.81 -0.69 0.00 0.00 174.62 175.15 1l2n n PRO 78 N 0.36 0.00 0.00 4.92 -0.04 -1.26 -1.18 135.00 137.81 1l2n n PRO 78 Ca -0.02 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1l2n n PRO 78 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 1l2n n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1l2n n GLU 79 N -1.50 0.65 -0.08 0.54 -0.58 -1.26 -3.71 120.64 114.69 1l2n n GLU 79 Ca 0.05 -0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 1l2n n GLU 79 Cb 0.25 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 1l2n n GLU 79 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1l2n h ASP 80 N 0.00 0.00 -0.88 1.62 1.82 -1.80 -3.11 116.42 114.08 1l2n h ASP 80 Ca -0.08 -0.24 0.18 0.00 -0.39 0.00 0.00 57.03 56.50 1l2n h ASP 80 Cb 1.19 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.10 1l2n h ASP 80 CO 0.01 1.08 0.43 0.17 -1.61 0.00 0.00 179.24 179.32 1l2n h LEU 81 N -1.00 0.47 -1.36 2.28 8.10 -1.23 1.79 115.31 124.36 1l2n h LEU 81 Ca -0.16 0.12 -0.06 0.00 0.11 0.00 0.00 57.88 57.89 1l2n h LEU 81 Cb 0.85 0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.12 1l2n h LEU 81 CO -0.09 0.14 -0.29 -0.78 -4.11 0.00 0.00 178.44 173.30 1l2n h ASP 82 N 0.54 0.00 0.00 0.17 1.82 -1.73 -3.38 116.42 113.84 1l2n h ASP 82 Ca 0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1l2n h ASP 82 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1l2n h ASP 82 CO -0.43 0.29 0.00 0.23 -1.61 0.00 0.00 179.24 177.72 1l2n n MET 83 N -3.80 0.00 -0.68 0.28 2.81 0.39 -5.00 117.12 111.12 1l2n n MET 83 Ca -0.01 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.57 1l2n n MET 83 Cb 0.38 -0.11 0.17 0.00 -0.71 0.00 0.00 33.22 32.95 1l2n n MET 83 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1l2n n GLU 84 N -0.82 -0.55 -3.55 0.03 4.07 0.51 -5.00 120.64 115.34 1l2n n GLU 84 Ca 0.00 -0.10 -0.28 0.00 -0.06 0.00 0.00 57.16 56.72 1l2n n GLU 84 Cb 0.00 -2.30 -0.11 0.00 -0.06 0.00 0.00 31.44 28.97 1l2n n GLU 84 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1l2n s ASP 85 N -2.55 2.64 -0.32 4.31 1.47 -1.26 -4.43 116.67 116.53 1l2n s ASP 85 Ca 0.66 -2.99 -0.10 0.00 1.18 0.00 0.00 52.55 51.30 1l2n s ASP 85 Cb -0.23 -0.74 0.19 0.00 -0.34 0.00 0.00 42.92 41.80 1l2n s ASP 85 CO 0.60 -0.19 1.07 0.20 0.68 0.00 0.00 175.17 177.52 1l2n s ASN 86 N 0.00 -0.27 -0.24 2.11 -0.87 -1.26 -4.91 114.94 109.49 1l2n s ASN 86 Ca 0.27 -0.15 -0.24 0.00 -1.57 0.00 0.00 52.86 51.16 1l2n s ASN 86 Cb -0.07 0.35 -0.01 0.00 -0.02 0.00 0.00 41.25 41.51 1l2n s ASN 86 CO -0.13 -0.03 0.82 -1.81 -2.57 0.00 0.00 177.10 173.38 1l2n s ASP 87 N 1.91 6.82 -0.28 -1.22 1.01 -1.02 -4.58 116.67 119.31 1l2n s ASP 87 Ca 0.15 1.01 -0.16 0.00 0.71 0.00 0.00 52.55 54.26 1l2n s ASP 87 Cb 0.04 -2.43 0.08 0.00 1.01 0.00 0.00 42.92 41.62 1l2n s ASP 87 CO -0.15 -0.51 0.70 -0.51 0.21 0.00 0.00 175.17 174.91 1l2n s ILE 88 N 2.83 0.00 0.24 0.77 -1.16 -1.26 -0.58 121.20 122.04 1l2n s ILE 88 Ca 0.34 0.00 -0.07 0.00 -0.51 0.00 0.00 60.65 60.42 1l2n s ILE 88 Cb -0.15 -1.00 -0.02 0.00 0.61 0.00 0.00 42.46 41.90 1l2n s ILE 88 CO 0.07 0.00 0.34 -0.63 -2.81 0.00 0.00 174.94 171.92 1l2n s ILE 89 N 1.57 0.00 -0.11 2.00 1.01 -1.07 -3.74 121.20 120.86 1l2n s ILE 89 Ca -0.09 -1.67 0.03 0.00 0.00 0.00 0.00 60.65 58.92 1l2n s ILE 89 Cb -0.05 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1l2n s ILE 89 CO -0.19 0.00 -0.20 -0.70 0.00 0.00 0.00 174.94 173.85 1l2n s GLU 90 N -3.94 3.17 0.18 2.79 2.12 0.19 -1.25 118.70 121.96 1l2n s GLU 90 Ca 0.30 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.86 1l2n s GLU 90 Cb 0.02 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1l2n s GLU 90 CO 0.12 0.19 0.22 0.00 -0.54 0.00 0.00 175.26 175.25 1l2n s ALA 91 N 0.35 3.76 0.35 6.30 0.00 0.19 -1.43 121.76 131.28 1l2n s ALA 91 Ca -0.16 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1l2n s ALA 91 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1l2n s ALA 91 CO 0.08 0.45 0.45 0.72 0.00 0.00 0.00 175.76 177.46 1l2n n HIS 92 N -0.66 -1.34 -4.34 0.00 8.25 0.44 -4.23 115.22 113.34 1l2n n HIS 92 Ca -0.08 -2.42 -0.35 0.00 -0.26 0.00 0.00 57.72 54.62 1l2n n HIS 92 Cb 0.55 0.51 -0.09 0.00 1.12 0.00 0.00 29.99 32.07 1l2n n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1l2n s ARG 93 N -2.89 3.07 -0.46 -0.41 1.81 -1.26 -1.57 118.95 117.24 1l2n s ARG 93 Ca 0.31 -0.40 0.07 0.00 -1.72 0.00 0.00 55.73 53.99 1l2n s ARG 93 Cb -0.00 -2.83 0.19 0.00 -0.45 0.00 0.00 34.95 31.85 1l2n s ARG 93 CO 0.22 0.67 0.69 -1.83 -0.68 0.00 0.00 175.30 174.37 1l2n s GLU 94 N -0.79 0.93 -0.28 3.54 4.04 -1.25 -4.69 118.70 120.19 1l2n s GLU 94 Ca 0.12 -0.65 0.01 0.00 0.04 0.00 0.00 54.97 54.50 1l2n s GLU 94 Cb -0.12 0.03 0.18 0.00 0.02 0.00 0.00 34.13 34.24 1l2n s GLU 94 CO 0.02 -1.23 0.52 -1.14 -1.84 0.00 0.00 175.26 171.59 1l2n s GLN 95 N 1.37 0.49 0.00 -4.83 -0.44 -1.26 -4.27 119.66 110.72 1l2n s GLN 95 Ca 0.23 0.60 0.27 0.00 -2.50 0.00 0.00 55.36 53.95 1l2n s GLN 95 Cb -0.02 0.09 0.84 0.00 -1.64 0.00 0.00 33.01 32.28 1l2n s GLN 95 CO -0.06 -0.84 1.62 0.44 0.50 0.00 0.00 175.29 176.95