#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n34 s THR 6 N 0.00 2.21 0.19 3.45 -4.23 -1.26 -4.60 115.64 111.39 1n34 s THR 6 Ca 0.00 0.14 -0.24 0.00 -1.18 0.00 0.00 61.69 60.42 1n34 s THR 6 Cb 0.00 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.86 1n34 s THR 6 CO 0.00 -0.01 1.56 0.40 -0.54 0.00 0.00 174.62 176.03 1n34 h ILE 7 N 1.10 0.06 -0.86 2.99 1.08 -2.04 1.10 117.51 120.95 1n34 h ILE 7 Ca -0.51 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.18 1n34 h ILE 7 Cb 1.31 0.06 -0.15 0.00 -3.07 0.00 0.00 36.82 34.97 1n34 h ILE 7 CO 0.56 0.00 0.03 -1.13 -0.69 0.00 0.00 178.15 176.92 1n34 h ASN 8 N -0.13 -0.37 0.12 1.72 -1.24 -1.98 2.18 115.58 115.87 1n34 h ASN 8 Ca 0.23 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.47 1n34 h ASN 8 Cb 0.55 0.40 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 1n34 h ASN 8 CO -0.79 -0.24 -0.12 1.56 -1.29 0.00 0.00 177.43 176.54 1n34 h GLN 9 N 0.08 -0.26 -0.39 6.67 4.20 0.58 0.51 115.11 126.50 1n34 h GLN 9 Ca 0.50 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.31 1n34 h GLN 9 Cb 0.94 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.70 1n34 h GLN 9 CO -0.77 -0.17 -0.20 -0.07 -0.67 0.00 0.00 178.83 176.95 1n34 h LEU 10 N -0.27 -0.69 0.41 1.46 -0.00 0.84 1.61 115.31 118.66 1n34 h LEU 10 Ca 0.01 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1n34 h LEU 10 Cb 0.26 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1n34 h LEU 10 CO -0.04 -0.24 -0.22 0.58 -0.00 0.00 0.00 178.44 178.52 1n34 h VAL 11 N -0.14 0.00 0.00 1.22 2.07 0.36 0.56 116.25 120.33 1n34 h VAL 11 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1n34 h VAL 11 Cb 0.43 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1n34 h VAL 11 CO -0.48 0.00 -0.01 0.08 0.02 0.00 0.00 177.57 177.19 1n34 h ARG 12 N -0.58 0.00 0.00 1.57 0.11 0.44 -3.36 114.38 112.57 1n34 h ARG 12 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1n34 h ARG 12 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1n34 h ARG 12 CO 0.08 0.01 0.00 1.63 0.10 0.00 0.00 179.97 181.78 1n34 n LYS 13 N -3.33 0.00 0.00 0.08 5.02 0.54 -5.06 118.16 115.41 1n34 n LYS 13 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1n34 n LYS 13 Cb 0.09 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1n34 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n34 n GLY 14 N 2.49 1.42 3.76 0.72 0.00 0.19 -4.98 105.19 108.80 1n34 n GLY 14 Ca 0.00 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1n34 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n34 s ARG 15 N -4.63 4.55 -0.45 1.61 1.81 -1.26 -4.98 118.95 115.60 1n34 s ARG 15 Ca 0.00 1.86 -0.20 0.00 -1.72 0.00 0.00 55.73 55.67 1n34 s ARG 15 Cb 0.00 -3.12 0.03 0.00 -0.45 0.00 0.00 34.95 31.41 1n34 s ARG 15 CO 0.00 0.11 0.61 -2.00 -0.68 0.00 0.00 175.30 173.34 1n34 s GLU 16 N -1.58 3.22 0.04 3.54 2.12 -1.26 -5.02 118.70 119.76 1n34 s GLU 16 Ca 0.46 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 1n34 s GLU 16 Cb -0.33 -3.99 -0.08 0.00 0.26 0.00 0.00 34.13 30.00 1n34 s GLU 16 CO 0.42 -1.04 1.68 0.15 -0.54 0.00 0.00 175.26 175.93 1n34 s LYS 17 N 2.69 4.19 0.14 4.30 1.02 -1.26 -4.95 119.74 125.88 1n34 s LYS 17 Ca 0.19 2.33 -0.26 0.00 0.02 0.00 0.00 55.97 58.25 1n34 s LYS 17 Cb -0.16 -3.71 -0.07 0.00 -0.52 0.00 0.00 37.83 33.37 1n34 s LYS 17 CO 0.17 -0.77 0.81 0.08 -0.92 0.00 0.00 175.35 174.72 1n34 s VAL 18 N 3.03 4.43 0.20 3.17 1.01 -1.26 -5.05 120.40 125.92 1n34 s VAL 18 Ca 0.75 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 64.22 1n34 s VAL 18 Cb -0.39 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 1n34 s VAL 18 CO 0.32 0.46 0.88 -0.13 0.00 0.00 0.00 175.10 176.64 1n34 s ARG 19 N -0.79 4.74 0.06 2.72 3.00 -1.26 -5.04 118.95 122.38 1n34 s ARG 19 Ca 0.38 1.36 -0.12 0.00 0.00 0.00 0.00 55.73 57.35 1n34 s ARG 19 Cb -0.23 -3.29 -0.06 0.00 0.00 0.00 0.00 34.95 31.38 1n34 s ARG 19 CO 0.27 0.50 0.42 0.15 0.00 0.00 0.00 175.30 176.64 1n34 s LYS 20 N -1.02 3.85 -0.17 3.54 1.02 -1.26 -5.07 119.74 120.63 1n34 s LYS 20 Ca 0.40 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.70 1n34 s LYS 20 Cb -0.25 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1n34 s LYS 20 CO 0.30 0.60 -0.19 0.15 -0.92 0.00 0.00 175.35 175.28 1n34 s LYS 21 N -1.61 2.87 0.43 1.68 1.02 -1.26 -5.11 119.74 117.76 1n34 s LYS 21 Ca 0.30 -0.78 -0.23 0.00 0.02 0.00 0.00 55.97 55.28 1n34 s LYS 21 Cb -0.15 -2.47 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1n34 s LYS 21 CO 0.16 -0.20 0.76 0.45 -0.92 0.00 0.00 175.35 175.61 1n34 n SER 22 N 4.59 0.08 -0.95 2.83 2.88 -1.26 -4.92 113.62 116.88 1n34 n SER 22 Ca -0.20 0.95 0.08 0.00 -1.33 0.00 0.00 58.87 58.36 1n34 n SER 22 Cb 0.50 -1.23 0.24 0.00 -0.75 0.00 0.00 64.21 62.97 1n34 n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1n34 n LYS 23 N 0.28 3.08 -2.99 -1.46 5.02 -1.26 -4.75 118.16 116.09 1n34 n LYS 23 Ca 0.11 -2.50 -0.14 0.00 -2.02 0.00 0.00 58.31 53.76 1n34 n LYS 23 Cb 0.40 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1n34 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n34 n VAL 24 N 0.36 -0.43 -1.40 -0.18 0.31 -1.26 -5.01 118.33 110.72 1n34 n VAL 24 Ca 0.18 -2.18 -0.39 0.00 -0.01 0.00 0.00 64.34 61.93 1n34 n VAL 24 Cb 0.68 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 33.56 1n34 n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n34 n PRO 25 N 2.42 3.49 -0.35 5.55 -0.02 -1.26 -4.20 135.00 140.64 1n34 n PRO 25 Ca 0.20 -2.28 -0.01 0.00 -2.02 0.00 0.00 63.50 59.39 1n34 n PRO 25 Cb 0.55 -2.91 0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1n34 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n34 h ALA 26 N 5.25 1.33 0.00 3.55 0.00 -1.95 -3.48 119.26 123.96 1n34 h ALA 26 Ca 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1n34 h ALA 26 Cb 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n34 h ALA 26 CO 1.81 0.61 0.00 -0.11 0.00 0.00 0.00 179.25 181.56 1n34 n LEU 27 N -4.40 0.00 -0.51 0.00 7.94 -1.26 -4.86 117.00 113.90 1n34 n LEU 27 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1n34 n LEU 27 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1n34 n LEU 27 CO 0.36 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.81 1n34 n LYS 28 N -0.76 -0.65 -2.61 1.96 4.81 -1.26 -1.55 118.16 118.10 1n34 n LYS 28 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1n34 n LYS 28 Cb 0.00 -2.23 -0.01 0.00 0.02 0.00 0.00 35.03 32.82 1n34 n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n34 n GLY 29 N 0.00 -0.49 3.75 3.14 0.00 -1.26 -4.80 105.19 105.53 1n34 n GLY 29 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1n34 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n34 s ALA 30 N -2.19 2.87 0.15 4.61 0.00 -0.59 -4.92 121.76 121.68 1n34 s ALA 30 Ca 0.05 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 1n34 s ALA 30 Cb -0.03 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1n34 s ALA 30 CO 0.06 -1.21 1.62 -1.35 0.00 0.00 0.00 175.76 174.89 1n34 h PRO 31 N 1.62 -0.28 -3.82 0.00 0.11 -1.92 -3.43 132.00 124.28 1n34 h PRO 31 Ca -0.51 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1n34 h PRO 31 Cb 1.29 0.06 -0.24 0.00 0.11 0.00 0.00 31.00 32.22 1n34 h PRO 31 CO 0.58 -0.19 -0.68 -0.06 -0.21 0.00 0.00 178.00 177.44 1n34 s PHE 32 N -6.05 0.13 -0.12 0.65 0.08 -1.26 -4.75 117.98 106.66 1n34 s PHE 32 Ca -0.15 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.67 1n34 s PHE 32 Cb 0.12 -0.10 -0.00 0.00 -0.57 0.00 0.00 43.02 42.47 1n34 s PHE 32 CO 0.67 -0.12 -0.20 0.50 -0.10 0.00 0.00 175.22 175.96 1n34 s ARG 33 N -0.85 3.14 0.68 0.44 6.06 0.14 -4.91 118.95 123.64 1n34 s ARG 33 Ca -0.09 -0.82 -0.10 0.00 -2.50 0.00 0.00 55.73 52.21 1n34 s ARG 33 Cb -0.06 -2.42 0.01 0.00 0.06 0.00 0.00 34.95 32.54 1n34 s ARG 33 CO -0.00 0.15 1.05 0.50 -2.50 0.00 0.00 175.30 174.50 1n34 s ARG 34 N 0.44 2.89 0.02 5.12 3.52 -1.26 0.06 118.95 129.74 1n34 s ARG 34 Ca -0.15 0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.69 1n34 s ARG 34 Cb -0.17 -2.08 0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1n34 s ARG 34 CO 0.06 -0.95 0.60 0.41 -0.81 0.00 0.00 175.30 174.60 1n34 n GLY 35 N -2.91 0.60 3.23 8.12 0.00 -0.90 -1.56 105.19 111.77 1n34 n GLY 35 Ca 0.06 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1n34 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n34 s VAL 36 N -2.16 1.61 0.73 1.61 1.01 0.75 -2.20 120.40 121.74 1n34 s VAL 36 Ca 0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1n34 s VAL 36 Cb -0.01 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 35.04 1n34 s VAL 36 CO 0.01 0.33 1.08 0.00 0.00 0.00 0.00 175.10 176.51 1n34 n THR 38 N -3.23 0.00 -1.67 0.00 -1.04 0.74 -4.41 114.28 104.66 1n34 n THR 38 Ca 0.07 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.63 1n34 n THR 38 Cb 0.55 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 1n34 n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1n34 n VAL 39 N 0.00 0.41 -1.65 12.58 0.31 -1.26 -4.41 118.33 124.30 1n34 n VAL 39 Ca 0.00 -0.10 -0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1n34 n VAL 39 Cb 0.00 -1.53 0.18 0.00 -0.91 0.00 0.00 33.84 31.57 1n34 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1n34 n VAL 40 N 2.78 2.31 0.00 2.52 0.31 -1.26 -1.04 118.33 123.94 1n34 n VAL 40 Ca 0.14 -3.36 0.00 0.00 -0.01 0.00 0.00 64.34 61.11 1n34 n VAL 40 Cb 0.30 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1n34 n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1n34 n ARG 41 N -1.05 2.92 -3.98 5.55 0.63 -1.26 -4.78 116.66 114.69 1n34 n ARG 41 Ca 0.25 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.08 1n34 n ARG 41 Cb 0.77 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.61 1n34 n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1n34 s THR 42 N 0.00 0.04 0.04 5.15 2.01 -1.26 -4.18 115.64 117.44 1n34 s THR 42 Ca 0.00 -1.42 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 1n34 s THR 42 Cb 0.00 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1n34 s THR 42 CO 0.00 -0.17 0.18 -0.69 -0.69 0.00 0.00 174.62 173.26 1n34 s VAL 43 N -4.00 0.11 0.08 3.82 1.01 -1.18 -4.99 120.40 115.26 1n34 s VAL 43 Ca 0.20 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1n34 s VAL 43 Cb 0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1n34 s VAL 43 CO 0.04 -0.51 0.26 0.42 0.00 0.00 0.00 175.10 175.30 1n34 s THR 44 N -2.66 5.32 0.66 3.92 -4.23 -1.26 -3.10 115.64 114.30 1n34 s THR 44 Ca -0.04 -0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1n34 s THR 44 Cb -0.01 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1n34 s THR 44 CO -0.04 0.12 0.99 -2.84 -0.54 0.00 0.00 174.62 172.30 1n34 s PRO 45 N -2.53 2.60 0.70 3.99 0.02 -1.26 -4.83 135.00 133.69 1n34 s PRO 45 Ca 0.37 -0.02 -0.14 0.00 0.02 0.00 0.00 61.00 61.23 1n34 s PRO 45 Cb -0.13 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.23 1n34 s PRO 45 CO 0.27 -0.99 1.12 0.21 -0.33 0.00 0.00 177.00 177.27 1n34 s LYS 46 N -5.17 2.56 0.00 5.54 2.36 0.34 -4.88 119.74 120.49 1n34 s LYS 46 Ca 0.57 1.39 0.00 0.00 -2.55 0.00 0.00 55.97 55.38 1n34 s LYS 46 Cb -0.11 -1.92 0.00 0.00 -1.05 0.00 0.00 37.83 34.75 1n34 s LYS 46 CO 0.46 -1.44 0.00 1.17 1.55 0.00 0.00 175.35 177.09 1n34 n LYS 47 N -2.74 0.00 0.00 4.03 4.81 -1.26 -2.96 118.16 120.04 1n34 n LYS 47 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1n34 n LYS 47 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1n34 n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1n34 n PRO 48 N -0.32 0.00 -4.54 1.64 -0.04 -1.26 -4.64 135.00 125.84 1n34 n PRO 48 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1n34 n PRO 48 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1n34 n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1n34 s ASN 49 N -0.04 2.94 0.10 3.54 0.02 -1.16 -5.17 114.94 115.17 1n34 s ASN 49 Ca 0.00 -1.63 0.05 0.00 -1.02 0.00 0.00 52.86 50.26 1n34 s ASN 49 Cb 0.00 0.42 -0.03 0.00 0.02 0.00 0.00 41.25 41.65 1n34 s ASN 49 CO 0.00 -0.87 -0.12 -0.55 0.02 0.00 0.00 177.10 175.58 1n34 s SER 50 N -3.63 1.67 0.00 -1.22 0.15 -1.26 -4.33 113.70 105.07 1n34 s SER 50 Ca 0.23 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1n34 s SER 50 Cb 0.03 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1n34 s SER 50 CO 0.13 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.38 1n34 n ALA 51 N 0.70 0.00 -3.40 5.45 0.00 -1.26 -4.99 120.51 117.00 1n34 n ALA 51 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 1n34 n ALA 51 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1n34 n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n34 n LEU 52 N 0.00 4.27 -4.69 0.00 4.32 -1.26 -4.13 117.00 115.50 1n34 n LEU 52 Ca 0.00 -5.36 -0.32 0.00 -0.02 0.00 0.00 56.01 50.32 1n34 n LEU 52 Cb 0.00 -0.83 0.15 0.00 -1.62 0.00 0.00 43.42 41.11 1n34 n LEU 52 CO 0.00 1.92 0.71 -0.13 -1.22 0.00 0.00 177.39 178.67 1n34 s ARG 53 N -2.37 1.33 -0.22 3.23 0.52 -1.18 -4.74 118.95 115.53 1n34 s ARG 53 Ca 0.36 1.57 -0.08 0.00 -0.52 0.00 0.00 55.73 57.06 1n34 s ARG 53 Cb 0.09 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 1n34 s ARG 53 CO -0.01 -2.41 0.08 0.15 0.02 0.00 0.00 175.30 173.14 1n34 s LYS 54 N -4.52 3.87 0.13 3.54 3.01 -1.26 -3.12 119.74 121.39 1n34 s LYS 54 Ca 0.68 -0.38 0.02 0.00 -1.01 0.00 0.00 55.97 55.28 1n34 s LYS 54 Cb -0.24 -3.31 -0.04 0.00 -1.01 0.00 0.00 37.83 33.22 1n34 s LYS 54 CO 0.55 0.06 -0.05 0.08 0.51 0.00 0.00 175.35 176.50 1n34 s VAL 55 N 0.98 0.80 -0.04 3.17 1.01 -1.26 0.33 120.40 125.39 1n34 s VAL 55 Ca 0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.04 1n34 s VAL 55 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1n34 s VAL 55 CO 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 175.10 174.44 1n34 s ALA 56 N -3.56 0.33 0.31 5.51 0.00 0.16 -4.03 121.76 120.48 1n34 s ALA 56 Ca 0.17 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1n34 s ALA 56 Cb 0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 1n34 s ALA 56 CO -0.01 -0.36 1.38 0.15 0.00 0.00 0.00 175.76 176.92 1n34 s LYS 57 N 1.77 4.29 -0.02 0.00 1.02 -0.21 -0.56 119.74 126.04 1n34 s LYS 57 Ca 0.00 2.30 0.02 0.00 0.02 0.00 0.00 55.97 58.31 1n34 s LYS 57 Cb -0.12 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1n34 s LYS 57 CO -0.03 -0.32 -0.05 0.08 -0.92 0.00 0.00 175.35 174.10 1n34 s VAL 58 N -0.71 0.47 -0.56 3.17 1.01 0.27 -0.19 120.40 123.87 1n34 s VAL 58 Ca 0.53 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1n34 s VAL 58 Cb -0.41 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.58 1n34 s VAL 58 CO 0.51 0.16 0.83 -0.60 0.00 0.00 0.00 175.10 176.00 1n34 s ARG 59 N 0.27 3.20 0.62 2.72 6.06 0.90 -2.29 118.95 130.43 1n34 s ARG 59 Ca -0.03 -0.66 -0.17 0.00 -2.50 0.00 0.00 55.73 52.37 1n34 s ARG 59 Cb -0.07 -4.12 -0.02 0.00 0.06 0.00 0.00 34.95 30.80 1n34 s ARG 59 CO -0.00 -1.47 1.14 -0.51 -2.50 0.00 0.00 175.30 171.96 1n34 s LEU 60 N 3.45 3.53 0.00 -0.88 2.01 0.16 -0.18 118.68 126.77 1n34 s LEU 60 Ca 0.22 2.16 0.23 0.00 0.01 0.00 0.00 54.13 56.75 1n34 s LEU 60 Cb -0.16 -4.57 1.26 0.00 0.01 0.00 0.00 46.19 42.72 1n34 s LEU 60 CO 0.14 -1.59 1.75 0.35 1.01 0.00 0.00 176.35 178.01 1n34 n THR 61 N -1.99 0.16 1.40 5.49 -2.24 -0.60 -2.19 114.28 114.30 1n34 n THR 61 Ca 0.12 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1n34 n THR 61 Cb 0.51 -0.67 0.55 0.00 -2.10 0.00 0.00 70.33 68.62 1n34 n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n34 n SER 62 N -1.15 0.75 0.00 3.42 3.41 -1.26 -4.87 113.62 113.92 1n34 n SER 62 Ca 0.14 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1n34 n SER 62 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1n34 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n34 n GLY 63 N 1.27 1.25 3.90 5.00 0.00 -0.93 -5.04 105.19 110.65 1n34 n GLY 63 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1n34 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n34 s TYR 64 N -2.36 3.01 -0.26 1.61 1.51 -1.26 -4.89 117.35 114.72 1n34 s TYR 64 Ca 0.00 0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 56.77 1n34 s TYR 64 Cb 0.00 -3.33 0.15 0.00 -0.11 0.00 0.00 41.96 38.66 1n34 s TYR 64 CO 0.00 -1.56 0.42 -1.21 -1.11 0.00 0.00 175.55 172.09 1n34 s GLU 65 N -5.45 0.39 0.15 -0.62 8.01 -1.26 -0.67 118.70 119.25 1n34 s GLU 65 Ca 0.61 0.55 0.02 0.00 0.01 0.00 0.00 54.97 56.15 1n34 s GLU 65 Cb -0.11 -0.29 -0.01 0.00 -4.31 0.00 0.00 34.13 29.42 1n34 s GLU 65 CO 0.48 -0.70 0.06 1.33 0.01 0.00 0.00 175.26 176.44 1n34 n VAL 66 N 5.37 0.00 -3.78 2.63 0.24 -0.97 -4.94 118.33 116.88 1n34 n VAL 66 Ca -0.02 -0.87 -0.36 0.00 -2.04 0.00 0.00 64.34 61.05 1n34 n VAL 66 Cb 0.50 0.32 -0.11 0.00 -1.47 0.00 0.00 33.84 33.08 1n34 n VAL 66 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1n34 s THR 67 N -2.14 3.32 0.29 3.34 -4.23 -1.26 0.98 115.64 115.95 1n34 s THR 67 Ca 0.08 -2.31 -0.28 0.00 -1.18 0.00 0.00 61.69 58.00 1n34 s THR 67 Cb 0.00 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1n34 s THR 67 CO 0.06 -0.73 1.05 0.00 -0.54 0.00 0.00 174.62 174.45 1n34 s ALA 68 N 0.81 3.32 0.57 3.99 0.00 0.28 -4.20 121.76 126.53 1n34 s ALA 68 Ca 0.11 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1n34 s ALA 68 Cb -0.22 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1n34 s ALA 68 CO -0.04 -0.07 0.95 -0.47 0.00 0.00 0.00 175.76 176.13 1n34 s TYR 69 N -1.28 3.59 -0.25 0.00 5.04 -1.07 0.40 117.35 123.79 1n34 s TYR 69 Ca 0.46 1.18 0.03 0.00 -2.44 0.00 0.00 57.07 56.30 1n34 s TYR 69 Cb -0.28 -2.62 0.06 0.00 0.35 0.00 0.00 41.96 39.47 1n34 s TYR 69 CO 0.36 -0.53 -0.11 0.42 -1.34 0.00 0.00 175.55 174.35 1n34 s ILE 70 N -2.98 2.09 0.54 3.14 1.01 0.15 -2.16 121.20 122.99 1n34 s ILE 70 Ca 0.53 -1.53 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1n34 s ILE 70 Cb -0.11 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1n34 s ILE 70 CO 0.48 0.01 0.86 -2.16 0.00 0.00 0.00 174.94 174.13 1n34 s PRO 71 N 1.15 3.32 0.00 2.79 0.04 -1.26 -4.51 135.00 136.53 1n34 s PRO 71 Ca -0.07 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1n34 s PRO 71 Cb -0.19 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1n34 s PRO 71 CO -0.06 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1n34 n GLY 72 N -2.44 -0.77 0.00 0.56 0.00 -1.26 -4.92 105.19 96.36 1n34 n GLY 72 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1n34 n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n34 n GLU 73 N -0.84 0.00 -3.15 1.61 -0.58 -1.26 -4.95 120.64 111.48 1n34 n GLU 73 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1n34 n GLU 73 Cb 0.00 -0.29 -0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1n34 n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1n34 s GLY 74 N 0.00 1.41 -0.03 0.62 0.00 -1.26 -5.08 107.32 102.99 1n34 s GLY 74 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1n34 s GLY 74 CO 0.00 -0.75 0.05 -2.38 0.00 0.00 0.00 173.10 170.02 1n34 s HIS 75 N -2.45 -0.01 -0.31 1.90 -3.43 -1.26 -4.68 115.29 105.05 1n34 s HIS 75 Ca 0.43 0.20 -0.04 0.00 -0.80 0.00 0.00 55.06 54.86 1n34 s HIS 75 Cb -0.10 -0.20 0.01 0.00 -1.43 0.00 0.00 32.58 30.86 1n34 s HIS 75 CO 0.38 -0.10 2.78 0.27 -2.00 0.00 0.00 174.74 176.07 1n34 n ASN 76 N 4.18 6.15 -4.57 7.38 6.94 -1.26 -4.91 115.26 129.16 1n34 n ASN 76 Ca -0.27 -2.98 -0.34 0.00 -0.02 0.00 0.00 54.58 50.96 1n34 n ASN 76 Cb 0.50 -1.24 -0.11 0.00 -2.36 0.00 0.00 39.78 36.58 1n34 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1n34 s LEU 77 N -1.53 3.34 0.22 -4.53 1.43 -1.26 -4.77 118.68 111.58 1n34 s LEU 77 Ca 0.53 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1n34 s LEU 77 Cb 0.32 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1n34 s LEU 77 CO -0.12 0.28 0.13 -1.10 0.23 0.00 0.00 176.35 175.76 1n34 s GLN 78 N -0.28 1.26 0.00 1.70 -1.52 -1.26 -5.00 119.66 114.56 1n34 s GLN 78 Ca 0.05 -1.67 0.00 0.00 -1.95 0.00 0.00 55.36 51.79 1n34 s GLN 78 Cb -0.12 0.15 0.00 0.00 -0.22 0.00 0.00 33.01 32.81 1n34 s GLN 78 CO 0.02 -0.37 0.06 -1.91 -0.25 0.00 0.00 175.29 172.84 1n34 n GLU 79 N -0.32 0.00 -0.79 2.91 2.13 -1.26 -0.32 120.64 122.98 1n34 n GLU 79 Ca 0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 1n34 n GLU 79 Cb 0.66 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 31.09 1n34 n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1n34 n HIS 80 N -0.38 0.00 -2.54 4.31 8.25 -1.26 -4.49 115.22 119.11 1n34 n HIS 80 Ca 0.00 -0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 56.76 1n34 n HIS 80 Cb 0.00 0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 1n34 n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1n34 s SER 81 N -0.62 6.90 -0.68 0.41 0.01 0.56 -4.75 113.70 115.53 1n34 s SER 81 Ca 0.01 1.28 -0.26 0.00 1.31 0.00 0.00 55.95 58.29 1n34 s SER 81 Cb 0.01 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1n34 s SER 81 CO -0.01 -0.87 1.80 -0.69 0.41 0.00 0.00 173.24 173.89 1n34 s VAL 82 N 3.72 3.42 0.44 3.43 1.01 -1.26 -2.57 120.40 128.59 1n34 s VAL 82 Ca 0.50 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1n34 s VAL 82 Cb -0.16 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.20 1n34 s VAL 82 CO 0.15 -1.04 0.49 0.55 0.00 0.00 0.00 175.10 175.25 1n34 n VAL 83 N 7.23 0.00 -3.96 2.92 3.14 -0.93 -2.85 118.33 123.87 1n34 n VAL 83 Ca 0.22 -1.57 -0.16 0.00 -2.96 0.00 0.00 64.34 59.88 1n34 n VAL 83 Cb 0.51 -0.41 -0.15 0.00 -1.06 0.00 0.00 33.84 32.72 1n34 n VAL 83 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1n34 s LEU 84 N 0.00 1.52 0.19 6.55 2.96 -1.26 -2.12 118.68 126.52 1n34 s LEU 84 Ca 0.37 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.35 1n34 s LEU 84 Cb -0.03 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 1n34 s LEU 84 CO 0.23 -0.05 -0.15 0.27 -1.32 0.00 0.00 176.35 175.34 1n34 s ILE 85 N 0.57 2.87 -0.08 6.68 -4.36 0.11 0.08 121.20 127.07 1n34 s ILE 85 Ca -0.05 -1.83 0.21 0.00 -0.26 0.00 0.00 60.65 58.71 1n34 s ILE 85 Cb -0.08 -2.41 0.42 0.00 1.25 0.00 0.00 42.46 41.64 1n34 s ILE 85 CO -0.01 -0.13 1.19 -2.11 0.24 0.00 0.00 174.94 174.11 1n34 n ARG 86 N 0.07 0.57 -1.79 0.37 1.85 0.12 0.23 116.66 118.09 1n34 n ARG 86 Ca -0.11 -2.46 0.00 0.00 -1.00 0.00 0.00 57.85 54.28 1n34 n ARG 86 Cb 0.56 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 1n34 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n34 n GLY 87 N -0.08 -3.06 3.60 2.89 0.00 -1.26 -4.61 105.19 102.66 1n34 n GLY 87 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1n34 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n34 s GLY 88 N -1.38 -0.50 -0.37 -0.02 0.00 0.20 -4.32 107.32 100.93 1n34 s GLY 88 Ca 0.00 2.62 -0.29 0.00 0.00 0.00 0.00 44.72 47.05 1n34 s GLY 88 CO 0.00 2.88 1.36 -1.60 0.00 0.00 0.00 173.10 175.74 1n34 s ARG 89 N 2.30 3.72 -0.43 2.90 3.52 -1.26 -2.58 118.95 127.13 1n34 s ARG 89 Ca -0.07 1.05 -0.08 0.00 -0.13 0.00 0.00 55.73 56.51 1n34 s ARG 89 Cb -0.08 -3.96 0.09 0.00 -1.56 0.00 0.00 34.95 29.44 1n34 s ARG 89 CO -0.18 -1.38 0.26 0.08 -0.81 0.00 0.00 175.30 173.27 1n34 s VAL 90 N 4.96 4.07 0.00 7.11 1.01 -1.20 -5.03 120.40 131.32 1n34 s VAL 90 Ca 0.59 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1n34 s VAL 90 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1n34 s VAL 90 CO 0.29 -0.58 0.27 1.17 0.00 0.00 0.00 175.10 176.25 1n34 n LYS 91 N 4.87 0.00 -0.20 2.72 3.00 -1.26 -2.68 118.16 124.60 1n34 n LYS 91 Ca -0.09 0.12 0.18 0.00 -0.00 0.00 0.00 58.31 58.52 1n34 n LYS 91 Cb 0.42 -0.77 0.31 0.00 0.00 0.00 0.00 35.03 34.99 1n34 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1n34 n ASP 92 N -0.39 0.11 -4.33 3.14 9.92 -1.26 -3.20 116.55 120.55 1n34 n ASP 92 Ca 0.00 0.68 -0.47 0.00 -0.53 0.00 0.00 54.79 54.48 1n34 n ASP 92 Cb 0.00 -0.33 -0.03 0.00 -0.64 0.00 0.00 41.12 40.11 1n34 n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1n34 s LEU 93 N -7.42 6.49 0.13 0.64 1.43 -1.09 0.13 118.68 118.98 1n34 s LEU 93 Ca -0.04 -2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 50.43 1n34 s LEU 93 Cb 0.15 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 1n34 s LEU 93 CO 0.38 -0.70 1.67 -2.84 0.23 0.00 0.00 176.35 175.09 1n34 s PRO 94 N 0.80 4.18 0.00 1.29 0.02 -1.20 -2.97 135.00 137.13 1n34 s PRO 94 Ca 0.13 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1n34 s PRO 94 Cb -0.18 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1n34 s PRO 94 CO -0.04 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1n34 n GLY 95 N 3.95 2.61 3.42 0.52 0.00 -1.26 -5.03 105.19 109.41 1n34 n GLY 95 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1n34 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n34 s VAL 96 N -2.68 4.67 -1.68 1.61 1.01 -1.16 -4.74 120.40 117.44 1n34 s VAL 96 Ca 0.00 -0.62 0.18 0.00 0.00 0.00 0.00 61.98 61.54 1n34 s VAL 96 Cb 0.00 -4.50 0.45 0.00 0.00 0.00 0.00 36.38 32.33 1n34 s VAL 96 CO 0.00 -1.13 1.37 -2.11 0.00 0.00 0.00 175.10 173.22 1n34 n ARG 97 N 6.73 2.59 -3.50 2.72 1.85 -1.26 -3.24 116.66 122.55 1n34 n ARG 97 Ca -0.07 -2.28 -0.15 0.00 -1.00 0.00 0.00 57.85 54.35 1n34 n ARG 97 Cb 0.44 -1.43 -0.05 0.00 -1.05 0.00 0.00 32.46 30.37 1n34 n ARG 97 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n34 n TYR 98 N 1.17 -0.13 -4.03 2.89 4.02 -1.06 -0.63 117.16 119.38 1n34 n TYR 98 Ca 0.18 -1.73 -0.08 0.00 -0.01 0.00 0.00 57.90 56.27 1n34 n TYR 98 Cb 0.53 0.07 -0.10 0.00 -0.02 0.00 0.00 39.34 39.82 1n34 n TYR 98 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1n34 s HIS 99 N -2.66 0.42 -0.20 -0.72 3.76 -1.26 -2.58 115.29 112.05 1n34 s HIS 99 Ca 0.18 -0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 54.11 1n34 s HIS 99 Cb 0.01 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 1n34 s HIS 99 CO 0.13 -0.39 0.03 0.42 -0.85 0.00 0.00 174.74 174.07 1n34 s ILE 100 N -3.67 4.27 -0.45 0.60 1.01 -0.92 0.15 121.20 122.18 1n34 s ILE 100 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 1n34 s ILE 100 Cb 0.06 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.62 1n34 s ILE 100 CO -0.09 0.43 1.24 0.68 0.00 0.00 0.00 174.94 177.20 1n34 s VAL 101 N 0.86 4.10 0.00 2.92 -7.23 0.11 -4.69 120.40 116.47 1n34 s VAL 101 Ca 0.02 1.12 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 1n34 s VAL 101 Cb -0.14 -4.45 0.00 0.00 0.56 0.00 0.00 36.38 32.35 1n34 s VAL 101 CO 0.02 -0.90 0.00 0.54 -0.31 0.00 0.00 175.10 174.45 1n34 n ARG 102 N 7.91 -0.92 -0.02 4.82 1.74 -1.26 -4.01 116.66 124.92 1n34 n ARG 102 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1n34 n ARG 102 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1n34 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n34 n GLY 103 N 1.87 0.00 3.24 -0.13 0.00 -1.26 -4.58 105.19 104.34 1n34 n GLY 103 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1n34 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n34 s VAL 104 N -0.51 1.75 0.00 1.61 0.11 -1.26 -4.47 120.40 117.64 1n34 s VAL 104 Ca 0.00 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1n34 s VAL 104 Cb 0.00 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1n34 s VAL 104 CO 0.00 0.50 0.00 -1.22 -3.33 0.00 0.00 175.10 171.05 1n34 n TYR 105 N 2.60 -0.06 -0.15 1.54 0.53 -1.26 -2.58 117.16 117.77 1n34 n TYR 105 Ca -0.16 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.71 1n34 n TYR 105 Cb 0.52 0.05 0.01 0.00 -1.03 0.00 0.00 39.34 38.89 1n34 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1n34 n ASP 106 N -0.89 4.81 -0.07 7.72 10.43 -1.13 -3.70 116.55 133.71 1n34 n ASP 106 Ca 0.00 -2.37 -0.18 0.00 2.57 0.00 0.00 54.79 54.81 1n34 n ASP 106 Cb 0.00 -0.96 -0.13 0.00 1.84 0.00 0.00 41.12 41.87 1n34 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n34 n ALA 107 N 1.12 1.24 -1.65 2.24 0.00 -1.07 -4.51 120.51 117.88 1n34 n ALA 107 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1n34 n ALA 107 Cb 0.52 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1n34 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n34 n ALA 108 N -3.08 -1.00 -0.64 0.00 0.00 -1.24 -4.07 120.51 110.47 1n34 n ALA 108 Ca -0.38 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 1n34 n ALA 108 Cb 1.03 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 20.06 1n34 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n34 n GLY 109 N 1.79 -2.89 3.71 0.00 0.00 -1.26 -4.20 105.19 102.34 1n34 n GLY 109 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1n34 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n34 s VAL 110 N -1.28 2.28 -0.40 1.61 1.01 -1.17 -4.81 120.40 117.63 1n34 s VAL 110 Ca 0.25 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 1n34 s VAL 110 Cb -0.10 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1n34 s VAL 110 CO 0.52 0.00 2.32 0.29 0.00 0.00 0.00 175.10 178.24 1n34 n LYS 111 N 4.59 1.31 -0.69 2.72 5.02 -1.26 -4.37 118.16 125.47 1n34 n LYS 111 Ca 0.16 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.74 1n34 n LYS 111 Cb 0.37 -3.04 -0.02 0.00 -0.02 0.00 0.00 35.03 32.31 1n34 n LYS 111 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n34 n ASP 112 N 12.83 -3.73 0.00 4.39 4.64 -1.26 -4.93 116.55 128.49 1n34 n ASP 112 Ca 0.37 0.76 0.00 0.00 -1.38 0.00 0.00 54.79 54.55 1n34 n ASP 112 Cb 0.41 -2.05 0.00 0.00 -1.04 0.00 0.00 41.12 38.44 1n34 n ASP 112 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1n34 n ARG 113 N -2.58 0.00 0.00 -0.67 3.00 -1.26 -5.04 116.66 110.11 1n34 n ARG 113 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1n34 n ARG 113 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1n34 n ARG 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1n34 n LYS 114 N -0.52 3.68 0.00 -0.14 5.02 -1.26 -4.96 118.16 119.98 1n34 n LYS 114 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n34 n LYS 114 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1n34 n LYS 114 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n34 n LYS 115 N -1.16 2.60 -1.25 1.97 0.00 -1.26 -4.89 118.16 114.18 1n34 n LYS 115 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 58.31 57.81 1n34 n LYS 115 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 1n34 n LYS 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1n34 n SER 116 N 0.00 0.56 -0.10 3.14 3.41 -1.26 -4.78 113.62 114.59 1n34 n SER 116 Ca 0.00 0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 58.95 1n34 n SER 116 Cb 0.00 -0.85 -0.09 0.00 -0.26 0.00 0.00 64.21 63.01 1n34 n SER 116 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1n34 n ARG 117 N 7.32 0.50 -0.40 4.33 0.63 -1.26 -4.56 116.66 123.22 1n34 n ARG 117 Ca 0.55 0.12 -0.11 0.00 -0.92 0.00 0.00 57.85 57.49 1n34 n ARG 117 Cb -0.02 -1.39 -0.10 0.00 0.45 0.00 0.00 32.46 31.40 1n34 n ARG 117 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1n34 n SER 118 N -3.13 -1.01 -4.69 6.15 7.64 -1.26 -3.28 113.62 114.03 1n34 n SER 118 Ca -0.36 1.72 -0.42 0.00 1.01 0.00 0.00 58.87 60.81 1n34 n SER 118 Cb 0.87 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1n34 n SER 118 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1n34 s LYS 119 N -5.45 4.33 0.00 1.43 1.02 -1.26 -2.87 119.74 116.94 1n34 s LYS 119 Ca -0.11 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.69 1n34 s LYS 119 Cb 0.11 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1n34 s LYS 119 CO 0.59 -0.48 0.00 0.66 -0.92 0.00 0.00 175.35 175.20 1n34 n TYR 120 N 5.13 0.00 0.00 3.18 0.53 -1.21 -4.83 117.16 119.97 1n34 n TYR 120 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 1n34 n TYR 120 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 1n34 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n34 n GLY 121 N -0.83 0.00 3.47 2.72 0.00 -1.14 -3.06 105.19 106.35 1n34 n GLY 121 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1n34 n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n34 n THR 122 N -0.62 0.85 -3.70 2.61 -2.24 -1.26 -4.51 114.28 105.41 1n34 n THR 122 Ca 0.00 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 1n34 n THR 122 Cb 0.00 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 1n34 n THR 122 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n34 s LYS 123 N -3.41 2.95 0.22 -0.78 2.20 -1.26 -4.80 119.74 114.87 1n34 s LYS 123 Ca 0.62 -1.12 -0.28 0.00 -0.36 0.00 0.00 55.97 54.83 1n34 s LYS 123 Cb -0.27 -2.66 -0.09 0.00 -1.51 0.00 0.00 37.83 33.31 1n34 s LYS 123 CO 0.62 0.12 0.87 0.21 -0.36 0.00 0.00 175.35 176.82 1n34 s LYS 124 N -4.06 4.71 0.00 4.03 2.20 -1.26 -5.02 119.74 120.34 1n34 s LYS 124 Ca 0.42 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 1n34 s LYS 124 Cb -0.08 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1n34 s LYS 124 CO 0.29 0.52 0.00 -0.35 -0.36 0.00 0.00 175.35 175.44 1n34 n PRO 125 N 1.43 0.00 -3.40 4.03 -0.04 -1.26 -5.13 135.00 130.63 1n34 n PRO 125 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1n34 n PRO 125 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1n34 n PRO 125 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n34 n LYS 126 N 0.00 -0.40 -3.60 0.54 -0.00 -1.26 -5.18 118.16 108.25 1n34 n LYS 126 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1n34 n LYS 126 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 1n34 n LYS 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1n34 s GLU 127 N -0.80 0.43 0.00 -1.58 -1.05 -1.26 -5.29 118.70 109.15 1n34 s GLU 127 Ca 0.00 0.16 0.31 0.00 -0.15 0.00 0.00 54.97 55.29 1n34 s GLU 127 Cb 0.00 0.20 1.84 0.00 -0.44 0.00 0.00 34.13 35.74 1n34 s GLU 127 CO 0.00 -0.12 2.17 0.00 0.95 0.00 0.00 175.26 178.26