#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ARG 2 N 0.00 0.11 -3.74 1.43 1.74 -1.26 -4.80 116.66 110.14 3i1n n ARG 2 Ca 0.00 -1.51 -0.21 0.00 -0.77 0.00 0.00 57.85 55.36 3i1n n ARG 2 Cb 0.00 -3.49 -0.18 0.00 -1.02 0.00 0.00 32.46 27.77 3i1n n ARG 2 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1n s VAL 3 N 14.01 0.17 -0.15 1.55 1.01 -1.26 -4.01 120.40 131.72 3i1n s VAL 3 Ca 0.77 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 3i1n s VAL 3 Cb 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3i1n s VAL 3 CO 0.24 0.22 1.69 0.00 0.00 0.00 0.00 175.10 177.25 3i1n h GLN 5 N 10.65 0.00 0.00 0.00 4.20 -1.86 -1.07 115.11 127.02 3i1n h GLN 5 Ca -0.37 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.00 3i1n h GLN 5 Cb 1.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.89 3i1n h GLN 5 CO 0.98 0.01 -2.28 1.55 -0.67 0.00 0.00 178.83 178.42 3i1n n VAL 6 N -3.57 1.28 0.58 -0.54 3.14 -1.26 -4.63 118.33 113.33 3i1n n VAL 6 Ca -0.03 -0.77 0.06 0.00 -2.96 0.00 0.00 64.34 60.64 3i1n n VAL 6 Cb 0.10 -0.57 -0.07 0.00 -1.06 0.00 0.00 33.84 32.24 3i1n n VAL 6 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i1n n THR 7 N -2.73 0.00 0.00 1.55 -2.24 -1.15 -4.97 114.28 104.74 3i1n n THR 7 Ca -0.31 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3i1n n THR 7 Cb 1.09 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3i1n n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1n n GLY 8 N 1.27 2.00 3.45 3.38 0.00 -0.42 -4.97 105.19 109.91 3i1n n GLY 8 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.54 3i1n n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 9 N -2.00 1.08 -4.18 1.61 5.02 -1.25 -4.51 118.16 113.92 3i1n n LYS 9 Ca 0.00 0.29 -0.26 0.00 -2.02 0.00 0.00 58.31 56.31 3i1n n LYS 9 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 32.47 3i1n n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i1n s ARG 10 N 6.31 2.22 0.57 1.97 1.70 -1.26 -1.15 118.95 129.32 3i1n s ARG 10 Ca 1.10 -1.97 -0.17 0.00 -0.47 0.00 0.00 55.73 54.21 3i1n s ARG 10 Cb -0.84 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 31.57 3i1n s ARG 10 CO 0.48 -0.26 1.08 -2.14 -1.08 0.00 0.00 175.30 173.38 3i1n s PRO 11 N -3.98 3.32 0.38 3.89 0.02 -1.26 -4.62 135.00 132.75 3i1n s PRO 11 Ca 0.34 1.35 0.04 0.00 0.02 0.00 0.00 61.00 62.75 3i1n s PRO 11 Cb 0.02 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 3i1n s PRO 11 CO 0.19 -0.83 0.06 0.14 -0.33 0.00 0.00 177.00 176.23 3i1n s VAL 12 N -2.21 1.24 0.17 3.83 -7.23 0.25 -4.99 120.40 111.46 3i1n s VAL 12 Ca 0.67 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 3i1n s VAL 12 Cb -0.18 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3i1n s VAL 12 CO 0.32 0.00 -0.06 0.42 -0.31 0.00 0.00 175.10 175.48 3i1n s THR 13 N -3.12 3.42 0.23 5.32 -4.23 -1.26 -1.54 115.64 114.46 3i1n s THR 13 Ca 0.31 -1.52 -0.21 0.00 -1.18 0.00 0.00 61.69 59.09 3i1n s THR 13 Cb 0.07 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.28 3i1n s THR 13 CO 0.14 -0.09 0.98 -0.83 -0.54 0.00 0.00 174.62 174.29 3i1n s GLY 14 N -2.81 0.16 0.56 3.99 0.00 -1.02 -4.89 107.32 103.31 3i1n s GLY 14 Ca 0.26 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.64 3i1n s GLY 14 CO 0.16 1.77 0.72 -1.31 0.00 0.00 0.00 173.10 174.44 3i1n s ASN 15 N -3.32 5.07 -0.19 1.64 0.01 -1.26 -0.51 114.94 116.37 3i1n s ASN 15 Ca 0.20 -0.88 0.02 0.00 -0.71 0.00 0.00 52.86 51.49 3i1n s ASN 15 Cb -0.03 0.25 -0.13 0.00 0.41 0.00 0.00 41.25 41.75 3i1n s ASN 15 CO 0.07 -1.26 -0.17 0.59 -1.51 0.00 0.00 177.10 174.82 3i1n n ASN 16 N -2.14 2.49 -2.67 -1.22 3.02 -0.72 -4.81 115.26 109.21 3i1n n ASN 16 Ca 0.13 -0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 3i1n n ASN 16 Cb 0.62 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3i1n n ASN 16 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1n n ARG 17 N -3.06 -3.86 -0.51 3.52 5.12 -1.00 -4.95 116.66 111.92 3i1n n ARG 17 Ca -0.34 2.94 -0.08 0.00 -1.93 0.00 0.00 57.85 58.44 3i1n n ARG 17 Cb 0.86 -4.02 0.06 0.00 -1.16 0.00 0.00 32.46 28.20 3i1n n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1n n SER 18 N 1.93 -0.03 -0.12 0.55 3.41 -1.20 -4.78 113.62 113.38 3i1n n SER 18 Ca -0.29 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.11 3i1n n SER 18 Cb 0.46 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3i1n n SER 18 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3i1n h HIS 19 N -1.24 0.52 0.00 7.33 3.86 -1.95 0.79 115.15 124.47 3i1n h HIS 19 Ca -0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3i1n h HIS 19 Cb 0.33 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3i1n h HIS 19 CO 0.00 0.44 0.17 0.00 0.86 0.00 0.00 177.93 179.39 3i1n n ALA 20 N -2.26 0.76 -2.84 2.45 0.00 -1.26 -4.80 120.51 112.56 3i1n n ALA 20 Ca -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 3i1n n ALA 20 Cb 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3i1n n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1n n LEU 21 N -1.80 -2.40 -4.61 0.00 4.77 0.27 -4.99 117.00 108.25 3i1n n LEU 21 Ca -0.01 -0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 3i1n n LEU 21 Cb 0.18 -1.72 -0.07 0.00 -2.33 0.00 0.00 43.42 39.48 3i1n n LEU 21 CO 0.04 0.22 0.31 0.20 -1.33 0.00 0.00 177.39 176.83 3i1n s ASN 22 N -3.01 6.46 0.08 -1.43 0.01 -1.26 -4.69 114.94 111.10 3i1n s ASN 22 Ca 0.22 0.46 -0.31 0.00 -0.71 0.00 0.00 52.86 52.52 3i1n s ASN 22 Cb -0.10 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3i1n s ASN 22 CO 0.27 -0.39 1.33 0.00 -1.51 0.00 0.00 177.10 176.80 3i1n s ALA 23 N 2.45 3.52 -0.07 0.60 0.00 -1.26 -2.36 121.76 124.64 3i1n s ALA 23 Ca 0.23 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3i1n s ALA 23 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.48 3i1n s ALA 23 CO 0.10 -0.60 -0.04 0.95 0.00 0.00 0.00 175.76 176.17 3i1n s THR 24 N 1.28 0.65 0.59 0.00 -4.23 -1.26 -4.87 115.64 107.79 3i1n s THR 24 Ca 0.62 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 3i1n s THR 24 Cb -0.34 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3i1n s THR 24 CO 0.29 0.28 1.29 -0.54 -0.54 0.00 0.00 174.62 175.40 3i1n s LYS 25 N 1.42 2.93 0.27 3.99 -0.14 -1.26 -1.76 119.74 125.20 3i1n s LYS 25 Ca -0.03 2.05 -0.10 0.00 -1.36 0.00 0.00 55.97 56.54 3i1n s LYS 25 Cb -0.13 -2.05 0.04 0.00 -1.68 0.00 0.00 37.83 34.01 3i1n s LYS 25 CO -0.03 -1.30 0.53 2.89 -0.76 0.00 0.00 175.35 176.68 3i1n n ARG 26 N -1.43 0.76 -4.23 1.68 -4.01 0.33 -4.88 116.66 104.89 3i1n n ARG 26 Ca 0.13 -1.58 -0.17 0.00 -1.04 0.00 0.00 57.85 55.19 3i1n n ARG 26 Cb 0.47 1.93 -0.15 0.00 -3.04 0.00 0.00 32.46 31.67 3i1n n ARG 26 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 3i1n s ARG 27 N -2.10 0.56 -0.10 2.89 0.52 -1.26 -2.44 118.95 117.02 3i1n s ARG 27 Ca 0.12 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.05 3i1n s ARG 27 Cb -0.03 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 3i1n s ARG 27 CO 0.09 0.13 0.11 -0.06 0.02 0.00 0.00 175.30 175.58 3i1n s PHE 28 N -0.07 3.47 0.05 -0.53 0.40 -0.59 -4.97 117.98 115.74 3i1n s PHE 28 Ca 0.01 0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.73 3i1n s PHE 28 Cb -0.04 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 3i1n s PHE 28 CO -0.00 0.66 0.04 -0.48 0.70 0.00 0.00 175.22 176.14 3i1n s LEU 29 N -1.10 2.10 0.62 -0.37 2.34 -1.26 -0.58 118.68 120.42 3i1n s LEU 29 Ca 0.16 -0.75 -0.16 0.00 0.06 0.00 0.00 54.13 53.44 3i1n s LEU 29 Cb -0.12 0.43 -0.02 0.00 -0.56 0.00 0.00 46.19 45.92 3i1n s LEU 29 CO 0.05 -0.55 1.11 -2.84 -1.06 0.00 0.00 176.35 173.05 3i1n s PRO 30 N -3.21 3.00 -1.10 1.48 0.02 -1.26 -4.91 135.00 129.02 3i1n s PRO 30 Ca 0.00 1.41 -0.22 0.00 0.02 0.00 0.00 61.00 62.21 3i1n s PRO 30 Cb 0.03 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.62 3i1n s PRO 30 CO -0.07 -1.10 1.55 1.21 -0.33 0.00 0.00 177.00 178.26 3i1n s ASN 31 N -2.44 6.55 0.53 2.53 3.84 -1.26 -5.00 114.94 119.69 3i1n s ASN 31 Ca 0.68 -1.71 -0.01 0.00 0.21 0.00 0.00 52.86 52.03 3i1n s ASN 31 Cb -0.20 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 37.94 3i1n s ASN 31 CO 0.38 -1.46 0.77 -0.76 -2.79 0.00 0.00 177.10 173.24 3i1n s LEU 32 N 4.96 3.37 0.00 3.21 1.02 -1.26 -1.86 118.68 128.11 3i1n s LEU 32 Ca 0.49 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.88 3i1n s LEU 32 Cb 0.01 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 43.13 3i1n s LEU 32 CO -0.05 -1.01 0.00 1.41 0.02 0.00 0.00 176.35 176.72 3i1n n HIS 33 N -2.33 0.00 -3.09 0.29 8.25 0.39 -4.85 115.22 113.87 3i1n n HIS 33 Ca 0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3i1n n HIS 33 Cb 0.59 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 3i1n n HIS 33 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i1n n SER 34 N 0.00 -7.08 -4.40 0.41 3.41 -1.20 -4.80 113.62 99.96 3i1n n SER 34 Ca 0.00 0.80 -0.29 0.00 -0.26 0.00 0.00 58.87 59.12 3i1n n SER 34 Cb 0.00 -1.73 -0.13 0.00 -0.26 0.00 0.00 64.21 62.09 3i1n n SER 34 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i1n s HIS 35 N -0.37 2.36 -0.45 7.33 5.04 0.45 -4.89 115.29 124.76 3i1n s HIS 35 Ca -0.01 -0.36 -0.22 0.00 -1.54 0.00 0.00 55.06 52.93 3i1n s HIS 35 Cb 0.00 -1.31 0.03 0.00 0.04 0.00 0.00 32.58 31.34 3i1n s HIS 35 CO 0.04 0.29 0.72 0.50 -2.34 0.00 0.00 174.74 173.96 3i1n s ARG 36 N -1.86 3.34 -0.02 2.88 3.52 -1.26 -2.78 118.95 122.78 3i1n s ARG 36 Ca 0.14 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.44 3i1n s ARG 36 Cb -0.10 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 3i1n s ARG 36 CO 0.06 -1.08 0.22 -0.06 -0.81 0.00 0.00 175.30 173.63 3i1n s PHE 37 N 3.08 3.58 0.06 5.12 0.08 -0.61 -4.99 117.98 124.29 3i1n s PHE 37 Ca 0.26 0.51 -0.14 0.00 0.12 0.00 0.00 56.93 57.69 3i1n s PHE 37 Cb -0.13 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 3i1n s PHE 37 CO 0.21 0.65 0.45 -0.46 -0.10 0.00 0.00 175.22 175.96 3i1n s TRP 38 N -1.26 3.67 -0.17 0.36 -0.11 -1.26 -2.22 118.94 117.94 3i1n s TRP 38 Ca 0.25 0.97 -0.02 0.00 1.22 0.00 0.00 56.10 58.53 3i1n s TRP 38 Cb -0.13 -2.28 -0.10 0.00 -1.50 0.00 0.00 33.47 29.46 3i1n s TRP 38 CO 0.15 0.56 -0.17 1.33 -4.62 0.00 0.00 176.95 174.20 3i1n n VAL 39 N 1.33 0.96 0.00 5.86 0.24 -1.10 -4.97 118.33 120.65 3i1n n VAL 39 Ca -0.10 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3i1n n VAL 39 Cb 0.52 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 3i1n n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1n n GLU 40 N -3.21 0.00 0.10 7.34 2.13 -1.26 -4.38 120.64 121.35 3i1n n GLU 40 Ca -0.31 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.58 3i1n n GLU 40 Cb 0.80 -0.11 0.37 0.00 0.27 0.00 0.00 31.44 32.77 3i1n n GLU 40 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i1n n SER 41 N 0.98 0.36 0.00 4.31 2.88 -1.26 -2.70 113.62 118.19 3i1n n SER 41 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3i1n n SER 41 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3i1n n SER 41 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i1n n GLU 42 N -1.96 0.03 -3.55 -1.46 1.02 -1.26 -5.06 120.64 108.40 3i1n n GLU 42 Ca -0.00 -0.27 -0.29 0.00 -0.02 0.00 0.00 57.16 56.58 3i1n n GLU 42 Cb 0.05 -0.60 0.02 0.00 -0.02 0.00 0.00 31.44 30.89 3i1n n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i1n n LYS 43 N -0.03 -1.57 -3.61 3.49 4.01 -1.10 -4.95 118.16 114.41 3i1n n LYS 43 Ca 0.00 0.94 -0.02 0.00 -0.51 0.00 0.00 58.31 58.72 3i1n n LYS 43 Cb 0.27 -1.95 -0.01 0.00 -0.51 0.00 0.00 35.03 32.82 3i1n n LYS 43 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3i1n s ARG 44 N -3.74 0.28 -0.58 1.97 3.52 -1.26 -4.97 118.95 114.16 3i1n s ARG 44 Ca 0.15 -0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.55 3i1n s ARG 44 Cb -0.02 0.11 0.15 0.00 -1.56 0.00 0.00 34.95 33.64 3i1n s ARG 44 CO 0.82 -0.12 0.45 -0.06 -0.81 0.00 0.00 175.30 175.57 3i1n s PHE 45 N -2.34 3.50 -0.03 5.12 2.99 -1.26 -2.70 117.98 123.25 3i1n s PHE 45 Ca 0.11 -2.20 -0.30 0.00 0.00 0.00 0.00 56.93 54.55 3i1n s PHE 45 Cb 0.01 -3.45 -0.03 0.00 0.00 0.00 0.00 43.02 39.55 3i1n s PHE 45 CO -0.04 -0.94 1.12 0.14 -0.00 0.00 0.00 175.22 175.50 3i1n s VAL 46 N 0.67 4.41 -0.75 -0.44 -7.23 -0.94 -4.81 120.40 111.31 3i1n s VAL 46 Ca 0.12 1.73 0.03 0.00 -1.81 0.00 0.00 61.98 62.05 3i1n s VAL 46 Cb -0.21 -4.11 0.21 0.00 0.56 0.00 0.00 36.38 32.83 3i1n s VAL 46 CO -0.03 0.06 0.68 1.07 -0.31 0.00 0.00 175.10 176.56 3i1n n THR 47 N 4.30 2.33 -2.06 5.32 5.66 -1.26 -1.58 114.28 127.00 3i1n n THR 47 Ca 0.09 -5.08 -0.34 0.00 -3.05 0.00 0.00 64.05 55.67 3i1n n THR 47 Cb 0.48 -2.20 0.02 0.00 -1.55 0.00 0.00 70.33 67.08 3i1n n THR 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i1n s LEU 48 N -1.80 3.62 -0.78 1.09 1.43 -1.12 -4.70 118.68 116.42 3i1n s LEU 48 Ca 0.30 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 3i1n s LEU 48 Cb 0.01 -4.57 0.17 0.00 0.03 0.00 0.00 46.19 41.83 3i1n s LEU 48 CO -0.10 -1.41 0.80 -0.60 0.23 0.00 0.00 176.35 175.26 3i1n s ARG 49 N -3.57 3.44 0.21 1.70 3.52 -1.26 -0.41 118.95 122.58 3i1n s ARG 49 Ca 0.71 -2.06 0.07 0.00 -0.13 0.00 0.00 55.73 54.33 3i1n s ARG 49 Cb -0.23 -4.48 -0.04 0.00 -1.56 0.00 0.00 34.95 28.63 3i1n s ARG 49 CO 0.33 -1.43 0.05 0.08 -0.81 0.00 0.00 175.30 173.52 3i1n s VAL 50 N 1.21 3.88 0.01 7.11 1.01 -1.26 -2.66 120.40 129.71 3i1n s VAL 50 Ca 0.18 -1.49 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 3i1n s VAL 50 Cb -0.14 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 3i1n s VAL 50 CO -0.05 -0.21 0.43 -0.94 0.00 0.00 0.00 175.10 174.32 3i1n s SER 51 N -3.29 6.83 0.55 3.32 1.04 -1.26 0.15 113.70 121.04 3i1n s SER 51 Ca 0.30 0.99 -0.20 0.00 0.48 0.00 0.00 55.95 57.52 3i1n s SER 51 Cb -0.08 -2.26 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 3i1n s SER 51 CO 0.21 0.31 0.86 0.00 0.98 0.00 0.00 173.24 175.59 3i1n n ALA 52 N 1.75 -0.18 0.00 5.32 0.00 -0.78 0.46 120.51 127.08 3i1n n ALA 52 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1n n ALA 52 Cb 0.52 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3i1n n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1n n LYS 53 N -0.46 0.00 -0.26 0.00 0.00 -1.26 -4.40 118.16 111.78 3i1n n LYS 53 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.51 3i1n n LYS 53 Cb 0.45 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.69 3i1n n LYS 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i1n h GLY 54 N 0.00 1.08 0.89 3.14 0.00 -0.38 0.33 103.07 108.13 3i1n h GLY 54 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3i1n h GLY 54 CO 0.00 -0.27 -0.43 -0.33 0.00 0.00 0.00 176.54 175.52 3i1n h MET 55 N 0.22 -1.15 -1.37 4.80 2.86 -0.75 -2.21 114.93 117.32 3i1n h MET 55 Ca 0.45 0.08 0.40 0.00 -2.06 0.00 0.00 59.70 58.57 3i1n h MET 55 Cb 0.83 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 3i1n h MET 55 CO -0.59 -0.77 1.05 0.00 1.06 0.00 0.00 176.91 177.66 3i1n h ARG 56 N -1.26 0.00 0.38 1.72 3.08 -1.67 -0.75 114.38 115.87 3i1n h ARG 56 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3i1n h ARG 56 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3i1n h ARG 56 CO 0.20 0.00 -0.18 0.28 -1.07 0.00 0.00 179.97 179.20 3i1n h VAL 57 N 0.00 0.21 -0.93 2.04 2.07 0.24 -2.84 116.25 117.04 3i1n h VAL 57 Ca 0.65 -0.68 0.19 0.00 0.82 0.00 0.00 66.70 67.69 3i1n h VAL 57 Cb 2.74 0.35 -0.18 0.00 -1.52 0.00 0.00 31.29 32.68 3i1n h VAL 57 CO -0.01 0.05 -0.21 0.40 0.02 0.00 0.00 177.57 177.82 3i1n h ILE 58 N -1.07 0.07 0.00 4.57 5.03 -0.81 0.62 117.51 125.92 3i1n h ILE 58 Ca -0.05 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 3i1n h ILE 58 Cb 0.47 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 3i1n h ILE 58 CO 0.09 0.00 0.19 0.44 -0.68 0.00 0.00 178.15 178.18 3i1n h ASP 59 N 0.00 0.00 0.00 1.72 5.19 -1.07 0.12 116.42 122.38 3i1n h ASP 59 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 3i1n h ASP 59 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 3i1n h ASP 59 CO -0.95 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 176.34 3i1n n LYS 60 N -2.61 0.00 -0.27 3.56 4.81 0.19 -4.73 118.16 119.10 3i1n n LYS 60 Ca -0.02 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.54 3i1n n LYS 60 Cb 0.23 -0.29 0.37 0.00 0.02 0.00 0.00 35.03 35.36 3i1n n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i1n h LYS 61 N 0.00 0.69 0.00 1.64 1.57 -0.74 -3.48 116.57 116.24 3i1n h LYS 61 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3i1n h LYS 61 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3i1n h LYS 61 CO 0.00 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 179.74 3i1n n GLY 62 N -1.43 2.30 0.23 3.86 0.00 0.42 -4.65 105.19 105.92 3i1n n GLY 62 Ca 0.17 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 3i1n n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1n h ILE 63 N 0.00 1.30 -0.05 -0.61 2.04 -1.94 -1.77 117.51 116.48 3i1n h ILE 63 Ca 0.00 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3i1n h ILE 63 Cb 0.00 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3i1n h ILE 63 CO 0.00 0.52 -0.03 0.44 0.00 0.00 0.00 178.15 179.07 3i1n h ASP 64 N 0.51 0.06 0.43 1.72 3.32 -1.93 0.38 116.42 120.91 3i1n h ASP 64 Ca 0.04 -0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.77 3i1n h ASP 64 Cb 0.97 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.51 3i1n h ASP 64 CO 0.09 0.11 -1.44 0.74 -1.72 0.00 0.00 179.24 177.01 3i1n h THR 65 N 0.07 1.29 -0.28 0.35 2.02 -1.72 -1.14 112.91 113.49 3i1n h THR 65 Ca 0.02 -2.83 -0.19 0.00 0.77 0.00 0.00 66.41 64.18 3i1n h THR 65 Cb 0.10 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3i1n h THR 65 CO 0.00 0.85 -0.56 0.58 0.37 0.00 0.00 175.52 176.76 3i1n h VAL 66 N 0.10 1.27 0.00 3.16 2.07 -0.72 -1.46 116.25 120.68 3i1n h VAL 66 Ca -0.22 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 3i1n h VAL 66 Cb 2.06 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 3i1n h VAL 66 CO 0.21 0.57 -0.01 -0.07 0.02 0.00 0.00 177.57 178.29 3i1n h LEU 67 N 0.67 0.00 0.29 2.57 3.38 -0.36 -3.01 115.31 118.85 3i1n h LEU 67 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i1n h LEU 67 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i1n h LEU 67 CO 0.13 0.01 -0.14 0.00 0.09 0.00 0.00 178.44 178.53 3i1n h ALA 68 N 1.99 -0.39 -1.88 1.53 0.00 -0.19 -3.15 119.26 117.17 3i1n h ALA 68 Ca -0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 3i1n h ALA 68 Cb 0.57 0.15 0.20 0.00 0.00 0.00 0.00 17.79 18.71 3i1n h ALA 68 CO 0.00 -0.65 -0.22 0.39 0.00 0.00 0.00 179.25 178.77 3i1n n GLU 69 N -5.20 -3.76 0.00 0.00 1.02 -0.76 -1.81 120.64 110.13 3i1n n GLU 69 Ca -0.10 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 3i1n n GLU 69 Cb 0.21 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3i1n n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i1n n LEU 70 N -4.60 0.00 -0.08 -4.62 4.77 -1.26 -4.01 117.00 107.19 3i1n n LEU 70 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3i1n n LEU 70 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3i1n n LEU 70 CO 0.42 0.00 0.60 -0.09 -1.33 0.00 0.00 177.39 176.99 3i1n h ARG 71 N 0.00 -0.34 0.00 3.23 9.65 -1.57 0.39 114.38 125.74 3i1n h ARG 71 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3i1n h ARG 71 Cb 0.00 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3i1n h ARG 71 CO 0.00 -0.23 0.00 0.00 2.80 0.00 0.00 179.97 182.54 3i1n n ALA 72 N -3.00 1.93 0.12 2.80 0.00 -0.75 -2.87 120.51 118.75 3i1n n ALA 72 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3i1n n ALA 72 Cb 0.35 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 3i1n n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1n n ARG 73 N -1.66 0.61 0.00 0.00 0.63 -0.21 -5.00 116.66 111.03 3i1n n ARG 73 Ca 0.05 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 3i1n n ARG 73 Cb 0.26 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3i1n n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1n n GLY 74 N 1.40 3.51 3.21 5.14 0.00 0.12 -4.95 105.19 113.61 3i1n n GLY 74 Ca -0.03 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 3i1n n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1n n GLU 75 N 0.00 0.05 0.00 1.61 1.02 -0.57 -4.84 120.64 117.91 3i1n n GLU 75 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3i1n n GLU 75 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3i1n n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1n n LYS 76 N 1.34 0.00 -0.28 3.49 2.85 -1.26 -4.21 118.16 120.09 3i1n n LYS 76 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 3i1n n LYS 76 Cb 0.51 -0.66 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 3i1n n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83