#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 0.01 -0.57 2.62 -1.32 -1.26 -4.90 115.64 110.22 1l2n s THR 22 Ca 0.00 -0.05 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 1l2n s THR 22 Cb 0.00 -0.99 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 1l2n s THR 22 CO 0.00 -0.03 0.81 -2.28 -2.21 0.00 0.00 174.62 170.91 1l2n s HIS 23 N -2.04 2.87 0.28 9.09 2.46 -1.26 0.41 115.29 127.11 1l2n s HIS 23 Ca -0.07 -0.44 0.06 0.00 0.47 0.00 0.00 55.06 55.08 1l2n s HIS 23 Cb -0.00 -3.94 -0.02 0.00 -0.13 0.00 0.00 32.58 28.48 1l2n s HIS 23 CO 0.02 -1.31 0.22 0.44 -2.47 0.00 0.00 174.74 171.64 1l2n n ILE 24 N 5.85 0.00 -4.03 0.89 -5.35 -0.70 -4.90 119.36 111.13 1l2n n ILE 24 Ca -0.04 -1.99 -0.29 0.00 -0.27 0.00 0.00 62.75 60.16 1l2n n ILE 24 Cb 0.46 0.96 -0.05 0.00 -1.74 0.00 0.00 39.64 39.26 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 -2.93 5.75 0.09 7.28 4.22 -1.26 -0.97 114.94 127.12 1l2n s ASN 25 Ca 0.31 0.02 0.09 0.00 -2.14 0.00 0.00 52.86 51.14 1l2n s ASN 25 Cb 0.01 -1.60 -0.04 0.00 1.28 0.00 0.00 41.25 40.91 1l2n s ASN 25 CO 0.22 0.13 -0.24 -0.22 -2.04 0.00 0.00 177.10 174.95 1l2n s LEU 26 N -2.71 2.40 -0.20 3.54 0.20 0.12 -2.17 118.68 119.86 1l2n s LEU 26 Ca 0.31 -0.61 -0.04 0.00 0.69 0.00 0.00 54.13 54.48 1l2n s LEU 26 Cb -0.12 -1.35 0.09 0.00 -0.43 0.00 0.00 46.19 44.39 1l2n s LEU 26 CO 0.24 0.22 0.24 -0.75 -0.29 0.00 0.00 176.35 176.01 1l2n s LYS 27 N -1.74 0.20 -0.23 1.98 2.36 0.71 -1.68 119.74 121.34 1l2n s LYS 27 Ca 0.14 0.30 -0.09 0.00 -2.55 0.00 0.00 55.97 53.78 1l2n s LYS 27 Cb -0.10 -0.99 -0.04 0.00 -1.05 0.00 0.00 37.83 35.65 1l2n s LYS 27 CO 0.05 -0.61 0.10 0.14 1.55 0.00 0.00 175.35 176.59 1l2n s VAL 28 N 2.36 4.87 0.02 4.02 -7.23 -0.37 -2.58 120.40 121.48 1l2n s VAL 28 Ca 0.07 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 1l2n s VAL 28 Cb -0.15 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1l2n s VAL 28 CO -0.12 0.37 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.42 1l2n s SER 29 N 1.05 3.77 0.18 4.85 0.01 -0.60 -1.41 113.70 121.55 1l2n s SER 29 Ca 0.05 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.70 1l2n s SER 29 Cb -0.14 -0.63 0.06 0.00 0.21 0.00 0.00 66.02 65.52 1l2n s SER 29 CO 0.04 0.28 0.71 -0.62 0.41 0.00 0.00 173.24 174.06 1l2n s ASP 30 N -1.20 -0.40 0.00 2.44 2.15 0.18 -0.46 116.67 119.38 1l2n s ASP 30 Ca 0.13 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1l2n s ASP 30 Cb -0.10 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 1l2n s ASP 30 CO 0.04 -1.05 0.01 0.61 -0.17 0.00 0.00 175.17 174.60 1l2n n GLY 31 N -0.40 -0.02 0.00 2.66 0.00 -1.26 -2.20 105.19 103.97 1l2n n GLY 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.46 0.61 -4.43 1.61 2.88 -1.26 -4.95 113.62 106.61 1l2n n SER 32 Ca 0.00 -0.82 -0.44 0.00 -1.33 0.00 0.00 58.87 56.28 1l2n n SER 32 Cb 0.00 0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.30 6.21 -0.17 -3.46 0.15 -0.93 -5.00 113.70 110.20 1l2n s SER 33 Ca 0.00 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 55.59 1l2n s SER 33 Cb 0.00 -2.30 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1l2n s SER 33 CO 0.00 -0.97 0.03 -1.83 1.20 0.00 0.00 173.24 171.67 1l2n s GLU 34 N 2.71 0.68 0.04 5.44 -1.05 -1.26 0.51 118.70 125.76 1l2n s GLU 34 Ca 0.15 -0.35 0.06 0.00 -0.15 0.00 0.00 54.97 54.68 1l2n s GLU 34 Cb -0.20 -1.94 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1l2n s GLU 34 CO 0.11 -0.58 -0.17 -1.50 0.95 0.00 0.00 175.26 174.07 1l2n s ILE 35 N 1.87 1.32 -0.05 1.83 -1.16 -0.50 -5.02 121.20 119.48 1l2n s ILE 35 Ca 0.00 -1.04 -0.01 0.00 -0.51 0.00 0.00 60.65 59.09 1l2n s ILE 35 Cb -0.16 -1.17 0.03 0.00 0.61 0.00 0.00 42.46 41.77 1l2n s ILE 35 CO -0.08 0.11 0.02 0.72 -2.81 0.00 0.00 174.94 172.90 1l2n s PHE 36 N -0.78 0.39 0.15 3.50 -0.71 -1.26 -1.24 117.98 118.03 1l2n s PHE 36 Ca 0.04 0.01 -0.17 0.00 -1.04 0.00 0.00 56.93 55.76 1l2n s PHE 36 Cb -0.08 -0.60 0.04 0.00 -1.21 0.00 0.00 43.02 41.17 1l2n s PHE 36 CO 0.01 -0.23 0.46 -0.06 -1.34 0.00 0.00 175.22 174.06 1l2n s PHE 37 N 1.78 -0.24 0.14 3.49 0.08 -0.68 -5.04 117.98 117.52 1l2n s PHE 37 Ca 0.01 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1l2n s PHE 37 Cb -0.13 0.34 -0.07 0.00 -0.57 0.00 0.00 43.02 42.60 1l2n s PHE 37 CO -0.04 -0.77 0.49 0.15 -0.10 0.00 0.00 175.22 174.95 1l2n s LYS 38 N -3.81 3.86 0.02 0.44 1.02 -1.26 0.15 119.74 120.15 1l2n s LYS 38 Ca 0.04 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 1l2n s LYS 38 Cb 0.01 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1l2n s LYS 38 CO -0.10 0.47 0.04 0.42 -0.92 0.00 0.00 175.35 175.26 1l2n s ILE 39 N -1.52 0.11 -1.15 2.17 1.09 -0.14 -4.84 121.20 116.92 1l2n s ILE 39 Ca 0.38 -0.90 -0.05 0.00 -1.10 0.00 0.00 60.65 58.98 1l2n s ILE 39 Cb -0.14 -0.46 0.12 0.00 -1.06 0.00 0.00 42.46 40.92 1l2n s ILE 39 CO 0.19 -0.50 2.44 1.17 -0.10 0.00 0.00 174.94 178.15 1l2n n LYS 40 N 1.37 4.22 0.00 2.79 3.00 -1.26 -1.72 118.16 126.56 1l2n n LYS 40 Ca -0.22 -3.29 0.00 0.00 -0.00 0.00 0.00 58.31 54.79 1l2n n LYS 40 Cb 0.56 -2.53 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 1.50 0.00 0.03 1.64 5.02 0.17 -4.55 118.16 121.96 1l2n n LYS 41 Ca 0.60 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.69 1l2n n LYS 41 Cb 0.30 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.21 1l2n n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l2n h THR 42 N 0.00 1.34 0.00 -0.18 1.03 -1.58 -3.42 112.91 110.11 1l2n h THR 42 Ca 0.00 -2.17 -0.29 0.00 -0.01 0.00 0.00 66.41 63.94 1l2n h THR 42 Cb 0.00 2.47 -0.07 0.00 -1.07 0.00 0.00 68.15 69.47 1l2n h THR 42 CO 0.00 0.66 1.29 1.07 -0.01 0.00 0.00 175.52 178.53 1l2n n THR 43 N -4.01 0.00 0.01 0.00 5.66 -1.26 -4.51 114.28 110.18 1l2n n THR 43 Ca -0.11 -0.18 -0.10 0.00 -3.05 0.00 0.00 64.05 60.61 1l2n n THR 43 Cb 0.80 -0.16 -0.08 0.00 -1.55 0.00 0.00 70.33 69.34 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 7.78 -0.13 -0.85 1.09 0.13 -1.86 -0.98 132.00 137.17 1l2n h PRO 44 Ca -0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 1l2n h PRO 44 Cb 0.82 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 31.85 1l2n h PRO 44 CO 1.03 0.36 -0.33 1.47 -0.23 0.00 0.00 178.00 180.30 1l2n n LEU 45 N -4.84 -0.54 0.03 1.56 -0.00 -1.26 0.21 117.00 112.15 1l2n n LEU 45 Ca -0.07 1.49 -0.10 0.00 -0.00 0.00 0.00 56.01 57.33 1l2n n LEU 45 Cb 0.27 -0.35 0.04 0.00 -0.00 0.00 0.00 43.42 43.39 1l2n n LEU 45 CO 0.24 -1.34 0.42 0.03 -0.00 0.00 0.00 177.39 176.74 1l2n h ARG 46 N 0.00 0.49 0.00 1.47 2.47 -1.94 -2.47 114.38 114.40 1l2n h ARG 46 Ca 0.30 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1l2n h ARG 46 Cb 0.51 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1l2n h ARG 46 CO -0.85 0.96 0.00 -2.13 0.56 0.00 0.00 179.97 178.52 1l2n n ARG 47 N -3.91 0.00 -0.34 0.04 3.00 0.57 -3.13 116.66 112.89 1l2n n ARG 47 Ca -0.04 0.10 0.31 0.00 -0.00 0.00 0.00 57.85 58.22 1l2n n ARG 47 Cb 0.65 -1.04 0.57 0.00 0.00 0.00 0.00 32.46 32.64 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 0.36 -0.93 6.15 5.85 0.36 0.64 115.31 127.75 1l2n h LEU 48 Ca 0.00 0.23 0.31 0.00 0.84 0.00 0.00 57.88 59.26 1l2n h LEU 48 Cb 0.00 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.08 1l2n h LEU 48 CO 0.00 -0.33 0.23 0.80 -0.34 0.00 0.00 178.44 178.79 1l2n n MET 49 N -5.13 -0.07 -0.12 1.25 1.56 -0.93 -0.56 117.12 113.12 1l2n n MET 49 Ca 0.37 1.34 -0.24 0.00 -0.27 0.00 0.00 57.70 58.90 1l2n n MET 49 Cb 1.24 -2.24 -0.08 0.00 2.15 0.00 0.00 33.22 34.29 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 -5.25 0.54 0.00 2.12 2.13 0.21 -3.93 120.64 116.45 1l2n n GLU 50 Ca 0.28 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1l2n n GLU 50 Cb 0.92 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 31.22 1l2n n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1l2n n ALA 51 N -4.21 -0.04 -0.26 4.31 0.00 -0.06 0.22 120.51 120.47 1l2n n ALA 51 Ca -0.43 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.08 1l2n n ALA 51 Cb 0.78 0.44 0.21 0.00 0.00 0.00 0.00 19.45 20.88 1l2n n ALA 51 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1l2n h PHE 52 N 0.00 0.46 0.00 0.00 3.57 -1.05 1.78 116.94 121.69 1l2n h PHE 52 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1l2n h PHE 52 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1l2n h PHE 52 CO -0.78 -0.01 0.00 0.00 -2.23 0.00 0.00 178.31 175.29 1l2n n ALA 53 N -2.56 1.85 0.01 2.41 0.00 0.24 0.44 120.51 122.88 1l2n n ALA 53 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1l2n n ALA 53 Cb 0.48 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1l2n n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1l2n n LYS 54 N -1.30 0.64 -0.10 0.00 3.00 0.61 -2.92 118.16 118.10 1l2n n LYS 54 Ca 0.07 0.13 -0.14 0.00 -0.00 0.00 0.00 58.31 58.37 1l2n n LYS 54 Cb 0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 35.03 33.38 1l2n n LYS 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1l2n n ARG 55 N -2.77 0.52 0.01 1.64 0.00 -0.47 -4.60 116.66 110.98 1l2n n ARG 55 Ca -0.12 0.21 -0.22 0.00 -0.00 0.00 0.00 57.85 57.72 1l2n n ARG 55 Cb 0.84 -1.40 -0.14 0.00 0.00 0.00 0.00 32.46 31.77 1l2n n ARG 55 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1l2n h GLN 56 N -0.95 0.25 -1.34 -0.14 5.75 -0.26 -3.34 115.11 115.09 1l2n h GLN 56 Ca -0.19 -0.43 0.39 0.00 -0.15 0.00 0.00 58.65 58.27 1l2n h GLN 56 Cb 1.13 0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 1l2n h GLN 56 CO -0.11 1.21 1.27 0.78 -2.65 0.00 0.00 178.83 179.32 1l2n h GLY 57 N 0.35 0.00 0.39 2.39 0.00 -1.25 1.49 103.07 106.44 1l2n h GLY 57 Ca -0.35 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.12 1l2n h GLY 57 CO 0.06 0.00 0.63 1.70 0.00 0.00 0.00 176.54 178.93 1l2n h LYS 58 N 0.00 0.92 0.00 4.80 3.64 -1.68 0.27 116.57 124.52 1l2n h LYS 58 Ca 0.64 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1l2n h LYS 58 Cb 3.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 34.79 1l2n h LYS 58 CO -0.01 0.61 -0.67 -1.91 -2.27 0.00 0.00 179.45 175.20 1l2n n GLU 59 N -4.65 0.27 -2.27 1.90 2.13 0.51 -4.91 120.64 113.61 1l2n n GLU 59 Ca 0.20 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1l2n n GLU 59 Cb 0.40 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1l2n n GLU 59 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1l2n n MET 60 N -2.04 -2.76 0.00 5.31 0.00 0.93 -4.64 117.12 113.92 1l2n n MET 60 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 57.84 1l2n n MET 60 Cb 0.43 -4.04 -0.06 0.00 0.00 0.00 0.00 33.22 29.55 1l2n n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1l2n n ASP 61 N -1.30 0.81 -4.21 6.12 9.92 -1.26 -4.84 116.55 121.78 1l2n n ASP 61 Ca 0.00 -0.74 -0.33 0.00 -0.53 0.00 0.00 54.79 53.19 1l2n n ASP 61 Cb 0.44 0.95 -0.15 0.00 -0.64 0.00 0.00 41.12 41.72 1l2n n ASP 61 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1l2n s SER 62 N -3.21 3.53 -0.12 -2.24 1.04 -1.26 -3.91 113.70 107.53 1l2n s SER 62 Ca 0.07 -0.53 0.21 0.00 0.48 0.00 0.00 55.95 56.17 1l2n s SER 62 Cb 0.16 -1.55 0.45 0.00 0.10 0.00 0.00 66.02 65.17 1l2n s SER 62 CO 0.84 0.04 1.17 0.00 0.98 0.00 0.00 173.24 176.27 1l2n n LEU 63 N 4.36 1.81 -4.25 2.42 -0.00 -1.20 -4.83 117.00 115.31 1l2n n LEU 63 Ca -0.20 -2.84 -0.41 0.00 -0.00 0.00 0.00 56.01 52.56 1l2n n LEU 63 Cb 0.51 -0.05 -0.09 0.00 -0.00 0.00 0.00 43.42 43.79 1l2n n LEU 63 CO 0.28 0.93 -0.05 -0.60 -0.00 0.00 0.00 177.39 177.95 1l2n s ARG 64 N -1.73 2.59 -0.46 1.47 3.00 -0.00 -4.72 118.95 119.10 1l2n s ARG 64 Ca 0.35 -1.59 -0.16 0.00 -1.00 0.00 0.00 55.73 53.33 1l2n s ARG 64 Cb 0.37 -3.88 0.05 0.00 0.00 0.00 0.00 34.95 31.50 1l2n s ARG 64 CO -0.11 -1.07 0.41 -0.06 0.00 0.00 0.00 175.30 174.48 1l2n s PHE 65 N 1.42 3.21 0.31 5.12 0.40 -1.26 0.23 117.98 127.40 1l2n s PHE 65 Ca 0.04 -0.74 -0.11 0.00 -0.60 0.00 0.00 56.93 55.52 1l2n s PHE 65 Cb -0.25 -3.06 0.01 0.00 0.51 0.00 0.00 43.02 40.23 1l2n s PHE 65 CO 0.01 -0.77 0.57 -0.48 0.70 0.00 0.00 175.22 175.25 1l2n s LEU 66 N 1.84 0.40 -0.13 -0.37 0.05 -0.47 -4.28 118.68 115.71 1l2n s LEU 66 Ca 0.07 -1.11 -0.06 0.00 0.05 0.00 0.00 54.13 53.08 1l2n s LEU 66 Cb -0.22 2.00 -0.06 0.00 -2.05 0.00 0.00 46.19 45.87 1l2n s LEU 66 CO 0.09 -1.32 -0.16 0.00 -0.55 0.00 0.00 176.35 174.40 1l2n n TYR 67 N -0.47 0.00 0.00 3.48 9.36 0.50 -1.01 117.16 129.02 1l2n n TYR 67 Ca -0.03 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.19 1l2n n TYR 67 Cb 0.61 -0.47 -0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1l2n n TYR 67 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1l2n n ASP 68 N -3.49 0.15 -2.01 2.98 9.92 -1.26 -4.60 116.55 118.23 1l2n n ASP 68 Ca -0.25 0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.01 1l2n n ASP 68 Cb 0.69 -0.11 0.03 0.00 -0.64 0.00 0.00 41.12 41.09 1l2n n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l2n n GLY 69 N 3.20 -0.21 2.70 0.44 0.00 -1.26 -5.00 105.19 105.06 1l2n n GLY 69 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.45 0.20 -4.23 -0.61 -5.35 -1.26 -4.99 119.36 102.67 1l2n n ILE 70 Ca -0.09 -1.42 -0.30 0.00 -0.27 0.00 0.00 62.75 60.67 1l2n n ILE 70 Cb 0.62 1.03 -0.08 0.00 -1.74 0.00 0.00 39.64 39.47 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 -1.19 -1.56 -3.71 6.28 1.85 -1.26 -4.93 116.66 112.13 1l2n n ARG 71 Ca -0.11 0.17 -0.23 0.00 -1.00 0.00 0.00 57.85 56.69 1l2n n ARG 71 Cb 0.86 -3.86 -0.02 0.00 -1.05 0.00 0.00 32.46 28.38 1l2n n ARG 71 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 1l2n s ILE 72 N -4.25 2.27 0.33 8.89 -4.36 -1.26 -4.81 121.20 118.01 1l2n s ILE 72 Ca 0.02 -1.42 0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1l2n s ILE 72 Cb -0.01 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1l2n s ILE 72 CO 0.97 0.00 0.29 0.00 0.24 0.00 0.00 174.94 176.44 1l2n n GLN 73 N -1.61 0.42 -0.01 0.37 6.02 -1.26 0.19 117.38 121.50 1l2n n GLN 73 Ca 0.02 -3.25 -0.01 0.00 -0.01 0.00 0.00 57.00 53.75 1l2n n GLN 73 Cb 0.63 2.70 -0.00 0.00 1.02 0.00 0.00 30.24 34.59 1l2n n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l2n h ALA 74 N 2.06 0.00 -1.02 -1.58 0.00 -1.94 -3.43 119.26 113.34 1l2n h ALA 74 Ca -0.23 -0.23 -0.48 0.00 0.00 0.00 0.00 54.91 53.97 1l2n h ALA 74 Cb 1.18 0.06 -0.42 0.00 0.00 0.00 0.00 17.79 18.62 1l2n h ALA 74 CO 0.34 0.06 -0.91 -0.25 0.00 0.00 0.00 179.25 178.50 1l2n n ASP 75 N -2.58 3.68 0.00 0.00 9.92 -1.26 -4.80 116.55 121.50 1l2n n ASP 75 Ca -0.01 -3.28 0.04 0.00 -0.53 0.00 0.00 54.79 51.01 1l2n n ASP 75 Cb 0.03 -0.44 0.17 0.00 -0.64 0.00 0.00 41.12 40.25 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 -0.49 0.04 -3.40 -1.24 0.00 -1.26 -4.17 117.38 106.86 1l2n n GLN 76 Ca 0.30 0.31 -0.38 0.00 -0.00 0.00 0.00 57.00 57.23 1l2n n GLN 76 Cb 0.80 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.48 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 -2.84 5.05 -1.34 1.69 2.01 -1.26 -4.73 115.64 114.22 1l2n s THR 77 Ca 0.05 0.93 0.23 0.00 0.31 0.00 0.00 61.69 63.20 1l2n s THR 77 Cb 0.05 -3.77 0.35 0.00 0.01 0.00 0.00 72.50 69.14 1l2n s THR 77 CO 0.13 0.48 1.74 -0.81 -0.69 0.00 0.00 174.62 175.47 1l2n n PRO 78 N 2.51 0.26 -0.00 4.92 -0.04 -1.26 -2.08 135.00 139.30 1l2n n PRO 78 Ca -0.11 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.91 -0.04 0.00 0.00 175.50 173.55 1l2n n GLU 79 N -1.33 0.11 -0.09 0.54 2.13 -1.26 -3.95 120.64 116.78 1l2n n GLU 79 Ca 0.10 -0.03 -0.23 0.00 0.66 0.00 0.00 57.16 57.66 1l2n n GLU 79 Cb 0.20 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.28 1l2n n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1l2n n ASP 80 N -1.62 1.99 -0.34 4.31 2.03 -0.91 -4.11 116.55 117.89 1l2n n ASP 80 Ca 0.03 0.18 0.04 0.00 0.52 0.00 0.00 54.79 55.55 1l2n n ASP 80 Cb 0.37 -0.74 0.19 0.00 -0.72 0.00 0.00 41.12 40.22 1l2n n ASP 80 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1l2n h LEU 81 N -0.43 0.90 -2.16 -2.67 8.10 -1.62 1.60 115.31 119.03 1l2n h LEU 81 Ca -0.53 0.03 0.05 0.00 0.11 0.00 0.00 57.88 57.54 1l2n h LEU 81 Cb 1.75 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.80 1l2n h LEU 81 CO -0.15 0.54 0.14 -0.78 -4.11 0.00 0.00 178.44 174.08 1l2n h ASP 82 N 1.01 0.00 0.00 0.17 3.58 -1.75 -3.32 116.42 116.12 1l2n h ASP 82 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1l2n h ASP 82 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1l2n h ASP 82 CO -0.21 0.00 0.00 0.23 -2.88 0.00 0.00 179.24 176.38 1l2n n MET 83 N -4.14 0.00 -0.55 0.28 2.81 0.13 -5.02 117.12 110.62 1l2n n MET 83 Ca 0.01 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.61 1l2n n MET 83 Cb 0.27 -0.28 0.23 0.00 -0.71 0.00 0.00 33.22 32.73 1l2n n MET 83 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1l2n s GLU 84 N -0.57 -0.47 -0.41 0.03 2.56 0.50 -5.02 118.70 115.31 1l2n s GLU 84 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 54.97 56.08 1l2n s GLU 84 Cb 0.00 -1.59 0.17 0.00 2.00 0.00 0.00 34.13 34.71 1l2n s GLU 84 CO 0.00 -3.49 0.42 0.16 -0.56 0.00 0.00 175.26 171.80 1l2n s ASP 85 N -2.51 0.82 -0.31 -1.70 -4.77 -1.26 -4.49 116.67 102.45 1l2n s ASP 85 Ca 0.68 -2.15 -0.10 0.00 -3.30 0.00 0.00 52.55 47.68 1l2n s ASP 85 Cb -0.25 0.44 0.19 0.00 -1.09 0.00 0.00 42.92 42.21 1l2n s ASP 85 CO 0.63 -0.19 1.05 0.21 0.70 0.00 0.00 175.17 177.57 1l2n s ASN 86 N 0.84 -0.35 -0.39 2.11 3.84 -1.26 -4.87 114.94 114.85 1l2n s ASN 86 Ca 0.25 -0.07 -0.26 0.00 0.21 0.00 0.00 52.86 52.99 1l2n s ASN 86 Cb -0.06 0.81 0.02 0.00 -0.55 0.00 0.00 41.25 41.46 1l2n s ASN 86 CO -0.09 -0.05 0.93 -0.62 -2.79 0.00 0.00 177.10 174.48 1l2n s ASP 87 N 2.43 6.63 -0.28 -4.21 3.68 -0.92 -4.63 116.67 119.36 1l2n s ASP 87 Ca 0.21 0.46 -0.16 0.00 2.13 0.00 0.00 52.55 55.19 1l2n s ASP 87 Cb 0.01 -2.46 0.09 0.00 -1.45 0.00 0.00 42.92 39.11 1l2n s ASP 87 CO -0.19 -0.91 0.73 -0.51 0.13 0.00 0.00 175.17 174.42 1l2n s ILE 88 N 3.56 -0.07 0.26 4.11 -1.16 -1.26 -0.21 121.20 126.44 1l2n s ILE 88 Ca 0.38 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.41 1l2n s ILE 88 Cb -0.11 -1.00 -0.00 0.00 0.61 0.00 0.00 42.46 41.95 1l2n s ILE 88 CO 0.21 0.00 0.48 -0.63 -2.81 0.00 0.00 174.94 172.19 1l2n s ILE 89 N 1.69 0.00 -0.04 2.00 1.01 -1.06 -3.73 121.20 121.07 1l2n s ILE 89 Ca -0.10 -1.43 0.05 0.00 0.00 0.00 0.00 60.65 59.18 1l2n s ILE 89 Cb -0.05 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 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 -3.82 2.37 -0.43 2.79 2.12 -0.18 -1.55 118.70 120.00 1l2n s GLU 90 Ca 0.24 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.79 1l2n s GLU 90 Cb -0.01 -2.23 0.12 0.00 0.26 0.00 0.00 34.13 32.27 1l2n s GLU 90 CO 0.11 0.57 0.17 0.00 -0.54 0.00 0.00 175.26 175.56 1l2n s ALA 91 N -0.61 2.90 1.01 6.30 0.00 0.40 -1.37 121.76 130.38 1l2n s ALA 91 Ca 0.09 -2.81 -0.16 0.00 0.00 0.00 0.00 51.96 49.08 1l2n s ALA 91 Cb -0.11 -2.02 0.22 0.00 0.00 0.00 0.00 23.12 21.21 1l2n s ALA 91 CO 0.00 -1.87 1.28 0.72 0.00 0.00 0.00 175.76 175.89 1l2n n HIS 92 N 3.71 -4.00 -4.05 0.00 8.25 0.63 -4.30 115.22 115.46 1l2n n HIS 92 Ca 0.04 -1.13 -0.34 0.00 -0.26 0.00 0.00 57.72 56.03 1l2n n HIS 92 Cb 0.37 -1.00 -0.07 0.00 1.12 0.00 0.00 29.99 30.42 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 -5.79 3.22 -0.51 -0.41 1.81 -1.26 -0.82 118.95 115.19 1l2n s ARG 93 Ca 0.73 -0.36 0.06 0.00 -1.72 0.00 0.00 55.73 54.44 1l2n s ARG 93 Cb -0.02 -2.97 0.19 0.00 -0.45 0.00 0.00 34.95 31.70 1l2n s ARG 93 CO 0.51 0.69 0.76 0.39 -0.68 0.00 0.00 175.30 176.97 1l2n n GLU 94 N 1.45 0.51 -3.27 3.54 -0.58 -1.25 -4.63 120.64 116.42 1l2n n GLU 94 Ca -0.15 -1.94 -0.06 0.00 -0.42 0.00 0.00 57.16 54.59 1l2n n GLU 94 Cb 0.53 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 1l2n n GLU 94 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1l2n s GLN 95 N 0.87 0.56 0.00 3.49 2.00 -1.26 -4.26 119.66 121.06 1l2n s GLN 95 Ca 0.30 -0.05 0.27 0.00 -2.00 0.00 0.00 55.36 53.87 1l2n s GLN 95 Cb 0.01 -0.20 0.85 0.00 0.80 0.00 0.00 33.01 34.47 1l2n s GLN 95 CO -0.06 -1.10 1.63 0.44 -0.50 0.00 0.00 175.29 175.70