#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 s THR 6 N 0.00 2.58 0.03 3.45 -4.23 -1.26 -4.77 115.64 111.44 1n33 s THR 6 Ca 0.00 0.19 -0.26 0.00 -1.18 0.00 0.00 61.69 60.44 1n33 s THR 6 Cb 0.00 -2.58 -0.17 0.00 1.34 0.00 0.00 72.50 71.09 1n33 s THR 6 CO 0.00 -0.25 1.39 0.40 -0.54 0.00 0.00 174.62 175.63 1n33 h ILE 7 N -1.66 0.82 -1.00 2.99 1.08 -2.05 0.14 117.51 117.83 1n33 h ILE 7 Ca -0.50 -0.48 0.26 0.00 -0.39 0.00 0.00 64.86 63.75 1n33 h ILE 7 Cb 1.28 1.09 -0.19 0.00 -3.07 0.00 0.00 36.82 35.94 1n33 h ILE 7 CO 0.53 0.10 -0.03 -1.13 -0.69 0.00 0.00 178.15 176.93 1n33 h ASN 8 N -0.58 -0.58 -0.27 1.72 -1.24 -1.98 1.60 115.58 114.26 1n33 h ASN 8 Ca -0.03 0.29 -0.04 0.00 0.71 0.00 0.00 56.30 57.23 1n33 h ASN 8 Cb 0.42 0.52 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 1n33 h ASN 8 CO 0.05 -0.36 0.03 1.56 -1.29 0.00 0.00 177.43 177.42 1n33 h GLN 9 N 0.00 0.46 -0.66 6.67 4.20 -1.79 0.41 115.11 124.40 1n33 h GLN 9 Ca 0.58 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 59.26 1n33 h GLN 9 Cb 1.15 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 1n33 h GLN 9 CO -0.95 0.59 0.44 -0.07 -0.67 0.00 0.00 178.83 178.17 1n33 h LEU 10 N 0.26 0.45 -0.63 1.46 3.38 0.48 0.48 115.31 121.18 1n33 h LEU 10 Ca 0.08 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1n33 h LEU 10 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1n33 h LEU 10 CO 0.01 0.27 -0.60 0.58 0.09 0.00 0.00 178.44 178.79 1n33 h VAL 11 N 0.50 1.38 0.08 1.22 2.07 0.12 0.67 116.25 122.28 1n33 h VAL 11 Ca 0.30 -1.96 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 1n33 h VAL 11 Cb 0.53 1.97 0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1n33 h VAL 11 CO -0.09 0.58 -0.65 0.03 0.02 0.00 0.00 177.57 177.46 1n33 h ARG 12 N 0.21 0.30 0.00 1.57 3.08 0.15 -3.41 114.38 116.27 1n33 h ARG 12 Ca -0.01 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.52 1n33 h ARG 12 Cb 1.11 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1n33 h ARG 12 CO 0.10 1.16 -1.55 1.63 -1.07 0.00 0.00 179.97 180.24 1n33 n LYS 13 N -4.22 1.57 0.00 0.04 5.02 0.14 -5.09 118.16 115.63 1n33 n LYS 13 Ca -0.12 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1n33 n LYS 13 Cb 0.73 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1n33 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n33 n GLY 14 N 2.23 -0.84 3.47 0.72 0.00 0.23 -4.73 105.19 106.27 1n33 n GLY 14 Ca -0.09 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1n33 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n33 s ARG 15 N 0.00 3.65 0.18 1.61 1.81 -1.26 -4.93 118.95 120.01 1n33 s ARG 15 Ca 0.00 -0.52 -0.31 0.00 -1.72 0.00 0.00 55.73 53.18 1n33 s ARG 15 Cb 0.00 -3.02 -0.10 0.00 -0.45 0.00 0.00 34.95 31.38 1n33 s ARG 15 CO 0.00 0.10 1.48 -2.00 -0.68 0.00 0.00 175.30 174.21 1n33 s GLU 16 N 0.75 4.26 0.00 3.54 2.12 -1.26 -5.00 118.70 123.10 1n33 s GLU 16 Ca -0.00 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1n33 s GLU 16 Cb -0.14 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1n33 s GLU 16 CO 0.02 -0.50 0.00 1.63 -0.54 0.00 0.00 175.26 175.87 1n33 n LYS 17 N 3.41 2.94 -3.28 4.30 4.76 -1.26 -5.08 118.16 123.95 1n33 n LYS 17 Ca 0.11 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.48 1n33 n LYS 17 Cb 0.40 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.54 1n33 n LYS 17 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1n33 s VAL 18 N 0.00 -0.70 -0.47 -0.18 1.01 -1.26 -5.10 120.40 113.70 1n33 s VAL 18 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1n33 s VAL 18 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1n33 s VAL 18 CO 0.00 -0.20 1.52 -0.13 0.00 0.00 0.00 175.10 176.29 1n33 s ARG 19 N 2.60 3.35 -0.20 2.72 0.52 -1.26 -4.95 118.95 121.73 1n33 s ARG 19 Ca 0.11 0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 55.85 1n33 s ARG 19 Cb -0.13 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.21 1n33 s ARG 19 CO -0.27 -1.86 1.23 0.15 0.02 0.00 0.00 175.30 174.58 1n33 s LYS 20 N 5.46 4.19 0.21 3.54 1.02 -1.26 -5.00 119.74 127.90 1n33 s LYS 20 Ca 0.62 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.86 1n33 s LYS 20 Cb -0.14 -3.76 -0.08 0.00 -0.52 0.00 0.00 37.83 33.33 1n33 s LYS 20 CO 0.29 -0.76 1.05 0.15 -0.92 0.00 0.00 175.35 175.16 1n33 s LYS 21 N 3.56 4.67 1.35 1.68 3.01 -1.26 -5.03 119.74 127.72 1n33 s LYS 21 Ca 0.53 1.66 -0.20 0.00 -1.01 0.00 0.00 55.97 56.95 1n33 s LYS 21 Cb -0.20 -3.27 0.34 0.00 -1.01 0.00 0.00 37.83 33.70 1n33 s LYS 21 CO 0.14 0.22 0.96 0.45 0.51 0.00 0.00 175.35 177.63 1n33 s SER 22 N -0.50 -0.48 0.00 2.83 0.15 -1.26 -4.98 113.70 109.47 1n33 s SER 22 Ca 0.46 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1n33 s SER 22 Cb -0.29 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1n33 s SER 22 CO 0.35 -5.02 0.39 0.29 1.20 0.00 0.00 173.24 170.44 1n33 n LYS 23 N -5.42 0.00 -3.05 5.44 5.02 -1.26 -4.94 118.16 113.95 1n33 n LYS 23 Ca 0.10 -0.39 -0.17 0.00 -2.02 0.00 0.00 58.31 55.84 1n33 n LYS 23 Cb 0.59 -0.45 -0.03 0.00 -0.02 0.00 0.00 35.03 35.11 1n33 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n33 n VAL 24 N 0.00 -0.54 -1.42 -0.18 0.31 -1.26 -5.01 118.33 110.23 1n33 n VAL 24 Ca 0.00 -2.61 -0.40 0.00 -0.01 0.00 0.00 64.34 61.32 1n33 n VAL 24 Cb 0.46 -0.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1n33 n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n33 n PRO 25 N 2.21 2.55 -0.00 5.55 -0.02 -1.26 -4.11 135.00 139.92 1n33 n PRO 25 Ca 0.20 -2.23 0.09 0.00 -2.02 0.00 0.00 63.50 59.54 1n33 n PRO 25 Cb 0.54 -3.04 0.51 0.00 -0.02 0.00 0.00 33.50 31.50 1n33 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n33 n ALA 26 N 5.90 2.60 -1.15 3.55 0.00 -1.26 -4.97 120.51 125.18 1n33 n ALA 26 Ca 0.55 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 54.00 1n33 n ALA 26 Cb 0.35 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1n33 n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n33 n LEU 27 N -0.73 -0.60 0.00 0.00 7.94 -1.26 -4.57 117.00 117.79 1n33 n LEU 27 Ca 0.13 1.35 0.00 0.00 -1.11 0.00 0.00 56.01 56.39 1n33 n LEU 27 Cb 0.07 -3.67 0.00 0.00 0.53 0.00 0.00 43.42 40.35 1n33 n LEU 27 CO 0.10 -2.48 0.00 0.29 -1.11 0.00 0.00 177.39 174.19 1n33 n LYS 28 N -3.53 0.00 0.00 1.96 4.01 -1.26 -2.98 118.16 116.36 1n33 n LYS 28 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1n33 n LYS 28 Cb 0.63 -3.07 0.00 0.00 -0.51 0.00 0.00 35.03 32.08 1n33 n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n33 n GLY 29 N -1.06 0.57 2.33 0.72 0.00 -1.26 -4.91 105.19 101.58 1n33 n GLY 29 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1n33 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n33 n ALA 30 N 0.81 -4.78 -0.14 4.61 0.00 -1.16 -4.89 120.51 114.96 1n33 n ALA 30 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 1n33 n ALA 30 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1n33 n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n33 h PRO 31 N -0.78 0.70 -4.23 0.00 0.11 -1.92 -3.46 132.00 122.43 1n33 h PRO 31 Ca -0.33 -0.21 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 1n33 h PRO 31 Cb 1.03 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 31.90 1n33 h PRO 31 CO 0.18 0.77 -0.69 -0.06 -0.21 0.00 0.00 178.00 177.99 1n33 s PHE 32 N -5.08 0.50 -0.04 0.65 0.08 -1.26 -4.75 117.98 108.09 1n33 s PHE 32 Ca -0.13 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.01 1n33 s PHE 32 Cb 0.10 -0.36 0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1n33 s PHE 32 CO 0.79 -0.31 -0.09 0.50 -0.10 0.00 0.00 175.22 176.01 1n33 s ARG 33 N -3.34 1.09 0.18 0.44 6.06 -1.08 -4.99 118.95 117.31 1n33 s ARG 33 Ca 0.02 -0.30 -0.22 0.00 -2.50 0.00 0.00 55.73 52.74 1n33 s ARG 33 Cb 0.04 -0.99 -0.08 0.00 0.06 0.00 0.00 34.95 33.97 1n33 s ARG 33 CO -0.07 0.07 0.73 0.50 -2.50 0.00 0.00 175.30 174.02 1n33 s ARG 34 N 0.40 4.38 0.21 5.12 3.52 -1.26 -0.79 118.95 130.52 1n33 s ARG 34 Ca -0.07 0.98 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 1n33 s ARG 34 Cb -0.11 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1n33 s ARG 34 CO 0.01 0.49 0.27 0.41 -0.81 0.00 0.00 175.30 175.67 1n33 n GLY 35 N 1.19 2.75 3.35 8.12 0.00 -1.06 -1.14 105.19 118.39 1n33 n GLY 35 Ca -0.05 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 1n33 n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n33 s VAL 36 N -2.72 0.57 0.52 1.61 -7.23 -0.72 -2.25 120.40 110.18 1n33 s VAL 36 Ca 0.20 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 1n33 s VAL 36 Cb -0.00 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1n33 s VAL 36 CO 0.14 0.00 0.51 0.00 -0.31 0.00 0.00 175.10 175.44 1n33 n THR 38 N -1.85 0.00 -1.03 0.00 -1.04 -1.14 -4.67 114.28 104.54 1n33 n THR 38 Ca 0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 1n33 n THR 38 Cb 0.63 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.37 1n33 n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n33 s VAL 39 N 1.18 1.68 0.00 12.58 1.01 -1.26 -4.77 120.40 130.82 1n33 s VAL 39 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1n33 s VAL 39 Cb 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1n33 s VAL 39 CO 0.00 0.00 0.91 0.52 0.00 0.00 0.00 175.10 176.53 1n33 n VAL 40 N -4.70 0.00 -0.67 2.92 0.31 -1.26 -3.53 118.33 111.39 1n33 n VAL 40 Ca 0.11 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 1n33 n VAL 40 Cb 0.59 0.44 0.12 0.00 -0.91 0.00 0.00 33.84 34.08 1n33 n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1n33 n ARG 41 N 0.04 -1.48 -4.27 5.55 0.63 -1.26 -4.66 116.66 111.20 1n33 n ARG 41 Ca -0.20 -0.43 -0.23 0.00 -0.92 0.00 0.00 57.85 56.07 1n33 n ARG 41 Cb 0.69 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 32.12 1n33 n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1n33 s THR 42 N -2.10 3.17 -0.01 5.15 2.01 -1.26 -3.00 115.64 119.60 1n33 s THR 42 Ca 0.39 -1.91 -0.01 0.00 0.31 0.00 0.00 61.69 60.47 1n33 s THR 42 Cb -0.04 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1n33 s THR 42 CO 0.46 -0.31 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 1n33 s VAL 43 N -2.39 0.01 -0.03 3.82 1.01 -1.05 -4.91 120.40 116.86 1n33 s VAL 43 Ca 0.33 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 1n33 s VAL 43 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1n33 s VAL 43 CO 0.20 -0.05 0.78 0.42 0.00 0.00 0.00 175.10 176.45 1n33 s THR 44 N -0.13 4.95 1.09 3.92 -4.23 -1.26 -2.35 115.64 117.63 1n33 s THR 44 Ca -0.02 1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 61.99 1n33 s THR 44 Cb -0.01 -4.12 0.24 0.00 1.34 0.00 0.00 72.50 69.95 1n33 s THR 44 CO -0.00 0.25 1.06 -2.84 -0.54 0.00 0.00 174.62 172.55 1n33 s PRO 45 N 0.72 -0.30 0.00 3.99 0.02 -1.26 -4.79 135.00 133.37 1n33 s PRO 45 Ca 0.41 0.59 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1n33 s PRO 45 Cb -0.19 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1n33 s PRO 45 CO 0.21 -3.24 0.00 0.36 -0.33 0.00 0.00 177.00 174.00 1n33 n LYS 46 N -4.54 3.40 0.00 5.54 2.85 -0.36 -4.87 118.16 120.18 1n33 n LYS 46 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1n33 n LYS 46 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 1n33 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1n33 n LYS 47 N 0.00 0.00 -1.91 -1.58 5.02 -1.26 -1.13 118.16 117.29 1n33 n LYS 47 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1n33 n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1n33 n LYS 47 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1n33 n PRO 48 N 1.85 3.31 -4.24 1.97 -0.02 -1.26 -4.93 135.00 131.68 1n33 n PRO 48 Ca 0.00 -3.34 -0.21 0.00 -2.02 0.00 0.00 63.50 57.93 1n33 n PRO 48 Cb 0.00 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.05 1n33 n PRO 48 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1n33 s ASN 49 N -0.51 2.19 -0.01 2.55 0.02 -0.28 -5.15 114.94 113.75 1n33 s ASN 49 Ca 0.52 -0.68 0.00 0.00 -1.02 0.00 0.00 52.86 51.68 1n33 s ASN 49 Cb 0.35 -0.10 0.02 0.00 0.02 0.00 0.00 41.25 41.54 1n33 s ASN 49 CO -0.27 -0.01 0.02 -0.55 0.02 0.00 0.00 177.10 176.30 1n33 s SER 50 N -1.93 0.06 0.00 -1.22 0.15 -1.26 -4.32 113.70 105.18 1n33 s SER 50 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1n33 s SER 50 Cb -0.09 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1n33 s SER 50 CO 0.04 -0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.39 1n33 n ALA 51 N 3.81 0.00 -3.43 5.45 0.00 -1.26 -4.96 120.51 120.11 1n33 n ALA 51 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1n33 n ALA 51 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 1n33 n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n33 s LEU 52 N 0.00 -0.28 -0.04 0.00 1.43 -1.26 -4.34 118.68 114.19 1n33 s LEU 52 Ca 0.00 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1n33 s LEU 52 Cb 0.00 0.61 -0.04 0.00 0.03 0.00 0.00 46.19 46.80 1n33 s LEU 52 CO 0.00 -0.33 0.05 -0.13 0.23 0.00 0.00 176.35 176.17 1n33 s ARG 53 N 2.40 3.04 -0.52 1.70 0.52 -0.99 -4.84 118.95 120.25 1n33 s ARG 53 Ca 0.09 -0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 54.59 1n33 s ARG 53 Cb -0.15 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 1n33 s ARG 53 CO -0.17 0.67 1.84 0.15 0.02 0.00 0.00 175.30 177.82 1n33 s LYS 54 N -1.38 2.85 0.47 3.54 3.01 -1.26 -2.52 119.74 124.45 1n33 s LYS 54 Ca 0.19 0.88 0.07 0.00 -1.01 0.00 0.00 55.97 56.10 1n33 s LYS 54 Cb -0.12 -4.33 -0.00 0.00 -1.01 0.00 0.00 37.83 32.38 1n33 s LYS 54 CO 0.09 -2.46 0.36 0.08 0.51 0.00 0.00 175.35 173.93 1n33 s VAL 55 N 8.42 2.20 -0.22 3.17 1.01 -1.16 0.02 120.40 133.84 1n33 s VAL 55 Ca 0.72 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1n33 s VAL 55 Cb -0.15 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.63 1n33 s VAL 55 CO 0.25 0.00 0.65 0.00 0.00 0.00 0.00 175.10 176.00 1n33 s ALA 56 N -2.61 -1.62 0.07 5.51 0.00 0.40 -4.04 121.76 119.46 1n33 s ALA 56 Ca 0.42 1.76 -0.12 0.00 0.00 0.00 0.00 51.96 54.02 1n33 s ALA 56 Cb -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 1n33 s ALA 56 CO 0.25 -0.32 0.43 0.15 0.00 0.00 0.00 175.76 176.27 1n33 s LYS 57 N 0.14 3.84 -0.03 0.00 1.02 -1.23 0.50 119.74 123.97 1n33 s LYS 57 Ca -0.02 0.29 -0.01 0.00 0.02 0.00 0.00 55.97 56.25 1n33 s LYS 57 Cb -0.04 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1n33 s LYS 57 CO 0.02 0.58 0.06 0.08 -0.92 0.00 0.00 175.35 175.17 1n33 s VAL 58 N -1.33 -0.07 -0.46 3.17 1.01 0.18 -2.88 120.40 120.01 1n33 s VAL 58 Ca 0.32 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 1n33 s VAL 58 Cb -0.15 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1n33 s VAL 58 CO 0.17 0.10 0.72 -0.60 0.00 0.00 0.00 175.10 175.49 1n33 s ARG 59 N 1.26 3.30 0.87 2.72 6.06 -0.91 -1.36 118.95 130.89 1n33 s ARG 59 Ca -0.07 -0.35 -0.12 0.00 -2.50 0.00 0.00 55.73 52.69 1n33 s ARG 59 Cb -0.13 -3.98 0.15 0.00 0.06 0.00 0.00 34.95 31.05 1n33 s ARG 59 CO -0.04 -1.13 1.22 -0.51 -2.50 0.00 0.00 175.30 172.34 1n33 s LEU 60 N 3.07 2.71 0.31 -0.88 2.01 0.77 -1.75 118.68 124.91 1n33 s LEU 60 Ca 0.25 0.34 0.18 0.00 0.01 0.00 0.00 54.13 54.91 1n33 s LEU 60 Cb -0.14 -2.60 0.13 0.00 0.01 0.00 0.00 46.19 43.59 1n33 s LEU 60 CO 0.19 -2.30 1.42 0.71 1.01 0.00 0.00 176.35 177.38 1n33 h THR 61 N -1.25 0.49 -0.28 5.49 1.35 -1.43 -3.08 112.91 114.19 1n33 h THR 61 Ca -0.44 -1.71 -0.14 0.00 -0.55 0.00 0.00 66.41 63.57 1n33 h THR 61 Cb 1.27 2.19 -0.08 0.00 -1.73 0.00 0.00 68.15 69.80 1n33 h THR 61 CO 0.48 0.28 0.17 -1.54 -0.25 0.00 0.00 175.52 174.66 1n33 n SER 62 N -3.12 3.12 -3.29 5.36 3.41 -1.26 -4.81 113.62 113.03 1n33 n SER 62 Ca 0.02 -2.46 -0.24 0.00 -0.26 0.00 0.00 58.87 55.93 1n33 n SER 62 Cb 0.66 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1n33 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n33 n GLY 63 N 0.03 -0.51 3.65 5.00 0.00 -1.16 -4.98 105.19 107.22 1n33 n GLY 63 Ca 0.17 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1n33 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n33 s TYR 64 N -3.10 2.63 -0.37 1.61 1.51 -1.25 -4.89 117.35 113.48 1n33 s TYR 64 Ca 0.40 -0.32 0.11 0.00 -1.01 0.00 0.00 57.07 56.25 1n33 s TYR 64 Cb -0.19 -1.35 0.45 0.00 -0.11 0.00 0.00 41.96 40.75 1n33 s TYR 64 CO 0.49 0.53 1.06 0.39 -1.11 0.00 0.00 175.55 176.92 1n33 n GLU 65 N -0.94 2.50 -2.09 -0.62 4.71 -1.23 0.27 120.64 123.25 1n33 n GLU 65 Ca -0.05 -3.95 -0.32 0.00 -0.01 0.00 0.00 57.16 52.84 1n33 n GLU 65 Cb 0.60 -1.84 -0.01 0.00 -1.01 0.00 0.00 31.44 29.19 1n33 n GLU 65 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1n33 s VAL 66 N -4.44 4.56 -0.30 2.62 -7.23 -0.46 -4.48 120.40 110.67 1n33 s VAL 66 Ca 0.39 1.01 -0.14 0.00 -1.81 0.00 0.00 61.98 61.43 1n33 s VAL 66 Cb 0.42 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.57 1n33 s VAL 66 CO -0.07 -0.91 0.33 0.28 -0.31 0.00 0.00 175.10 174.42 1n33 s THR 67 N -2.90 5.20 0.02 5.32 -1.32 -1.26 0.47 115.64 121.17 1n33 s THR 67 Ca 0.57 0.31 0.01 0.00 -1.21 0.00 0.00 61.69 61.37 1n33 s THR 67 Cb -0.11 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1n33 s THR 67 CO 0.44 0.09 0.08 0.00 -2.21 0.00 0.00 174.62 173.02 1n33 s ALA 68 N 1.99 3.57 -0.00 11.08 0.00 0.18 -4.14 121.76 134.44 1n33 s ALA 68 Ca 0.12 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1n33 s ALA 68 Cb -0.16 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1n33 s ALA 68 CO 0.11 0.71 0.36 -0.47 0.00 0.00 0.00 175.76 176.47 1n33 s TYR 69 N -1.26 3.68 -0.25 0.00 5.04 0.90 -0.45 117.35 125.01 1n33 s TYR 69 Ca 0.25 0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 1n33 s TYR 69 Cb -0.12 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.96 1n33 s TYR 69 CO 0.17 0.64 0.09 0.42 -1.34 0.00 0.00 175.55 175.53 1n33 s ILE 70 N -1.14 4.56 0.61 3.14 1.01 0.10 -1.89 121.20 127.59 1n33 s ILE 70 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1n33 s ILE 70 Cb -0.15 -3.13 0.06 0.00 0.01 0.00 0.00 42.46 39.24 1n33 s ILE 70 CO 0.13 0.33 0.86 -2.16 0.00 0.00 0.00 174.94 174.10 1n33 s PRO 71 N 1.52 2.28 0.00 2.79 0.04 -1.26 -4.42 135.00 135.95 1n33 s PRO 71 Ca 0.06 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1n33 s PRO 71 Cb -0.15 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1n33 s PRO 71 CO 0.05 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1n33 n GLY 72 N -2.54 -1.67 0.00 0.56 0.00 -1.26 -4.82 105.19 95.46 1n33 n GLY 72 Ca 0.10 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1n33 n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n33 n GLU 73 N -1.27 0.00 -4.42 1.61 -0.58 -1.26 -4.80 120.64 109.92 1n33 n GLU 73 Ca 0.00 0.17 -0.23 0.00 -0.42 0.00 0.00 57.16 56.69 1n33 n GLU 73 Cb 0.00 -0.70 -0.10 0.00 -0.57 0.00 0.00 31.44 30.06 1n33 n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1n33 s GLY 74 N 0.00 1.69 0.00 0.62 0.00 -1.26 -5.07 107.32 103.30 1n33 s GLY 74 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1n33 s GLY 74 CO 0.00 -1.83 0.00 -2.39 0.00 0.00 0.00 173.10 168.88 1n33 n HIS 75 N -0.36 0.00 -1.56 1.90 1.44 -1.26 -4.69 115.22 110.69 1n33 n HIS 75 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1n33 n HIS 75 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 1n33 n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1n33 n ASN 76 N -0.22 0.00 -4.52 4.39 6.94 -1.26 -5.10 115.26 115.49 1n33 n ASN 76 Ca 0.00 -1.00 -0.46 0.00 -0.02 0.00 0.00 54.58 53.10 1n33 n ASN 76 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1n33 n ASN 76 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1n33 n LEU 77 N 0.00 2.58 0.00 -4.53 4.77 -1.26 -4.96 117.00 113.59 1n33 n LEU 77 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1n33 n LEU 77 Cb 0.35 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1n33 n LEU 77 CO 0.00 -0.79 0.00 0.00 -1.33 0.00 0.00 177.39 175.27 1n33 n GLN 78 N 8.52 2.53 -0.21 3.23 6.02 -1.26 -4.97 117.38 131.25 1n33 n GLN 78 Ca 0.37 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.37 1n33 n GLN 78 Cb 0.35 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.62 1n33 n GLN 78 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1n33 n GLU 79 N 0.00 0.42 -0.67 -1.09 0.28 -1.26 -4.67 120.64 113.65 1n33 n GLU 79 Ca 0.00 -1.01 -0.01 0.00 -0.16 0.00 0.00 57.16 55.98 1n33 n GLU 79 Cb 0.00 -0.65 -0.02 0.00 1.43 0.00 0.00 31.44 32.21 1n33 n GLU 79 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1n33 n HIS 80 N -0.19 0.00 -3.36 -1.84 8.25 -1.26 -4.46 115.22 112.36 1n33 n HIS 80 Ca 0.02 -0.14 -0.34 0.00 -0.26 0.00 0.00 57.72 56.99 1n33 n HIS 80 Cb 0.57 0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.88 1n33 n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n33 s SER 81 N -0.46 6.77 -0.51 0.41 1.04 -1.26 -4.81 113.70 114.89 1n33 s SER 81 Ca 0.02 1.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.27 1n33 s SER 81 Cb 0.02 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 63.90 1n33 s SER 81 CO -0.01 0.04 0.78 0.68 0.98 0.00 0.00 173.24 175.71 1n33 s VAL 82 N -1.58 4.64 0.57 5.02 -7.23 -1.26 -2.60 120.40 117.95 1n33 s VAL 82 Ca 0.41 0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.70 1n33 s VAL 82 Cb -0.14 -4.39 0.08 0.00 0.56 0.00 0.00 36.38 32.49 1n33 s VAL 82 CO 0.20 -0.89 0.78 0.54 -0.31 0.00 0.00 175.10 175.42 1n33 s VAL 83 N 3.29 2.30 -0.09 1.32 0.11 -0.95 -1.95 120.40 124.43 1n33 s VAL 83 Ca 0.25 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1n33 s VAL 83 Cb -0.15 -2.37 0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1n33 s VAL 83 CO 0.18 0.00 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.68 1n33 s LEU 84 N -4.69 0.97 0.28 2.54 2.96 -1.26 -2.57 118.68 116.90 1n33 s LEU 84 Ca 0.61 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 54.09 1n33 s LEU 84 Cb -0.06 -0.64 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 1n33 s LEU 84 CO 0.39 -0.14 0.86 -0.63 -1.32 0.00 0.00 176.35 175.51 1n33 s ILE 85 N 1.71 4.33 0.00 6.68 1.01 0.02 -0.83 121.20 134.12 1n33 s ILE 85 Ca 0.03 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1n33 s ILE 85 Cb -0.13 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1n33 s ILE 85 CO -0.06 0.19 0.30 -2.11 0.00 0.00 0.00 174.94 173.27 1n33 n ARG 86 N 0.69 0.10 -1.83 2.79 1.85 0.26 -2.62 116.66 117.90 1n33 n ARG 86 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 57.85 56.52 1n33 n ARG 86 Cb 0.50 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 1n33 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n33 n GLY 87 N -0.02 -3.32 3.20 2.89 0.00 -1.24 -4.68 105.19 102.01 1n33 n GLY 87 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1n33 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n33 s GLY 88 N -1.10 0.04 1.31 -0.02 0.00 0.72 -4.48 107.32 103.79 1n33 s GLY 88 Ca 0.00 3.33 -0.19 0.00 0.00 0.00 0.00 44.72 47.86 1n33 s GLY 88 CO 0.00 3.58 0.76 -2.13 0.00 0.00 0.00 173.10 175.31 1n33 n ARG 89 N 4.98 -3.70 -3.31 2.90 0.00 -1.17 -3.24 116.66 113.13 1n33 n ARG 89 Ca -0.08 -1.09 -0.08 0.00 -0.00 0.00 0.00 57.85 56.61 1n33 n ARG 89 Cb 0.55 -1.89 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 1n33 n ARG 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1n33 s VAL 90 N -2.18 -0.65 0.13 5.15 1.01 -1.13 -4.90 120.40 117.83 1n33 s VAL 90 Ca 0.62 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1n33 s VAL 90 Cb -0.15 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1n33 s VAL 90 CO 0.56 -0.20 1.47 0.50 0.00 0.00 0.00 175.10 177.43 1n33 h LYS 91 N 8.16 -0.06 -0.96 2.72 1.63 -1.96 -2.74 116.57 123.35 1n33 h LYS 91 Ca -0.13 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.81 1n33 h LYS 91 Cb 1.14 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.70 1n33 h LYS 91 CO 0.26 -0.04 0.61 -0.44 -3.45 0.00 0.00 179.45 176.39 1n33 h ASP 92 N -0.07 0.79 -3.64 4.20 3.32 -1.97 -3.36 116.42 115.70 1n33 h ASP 92 Ca 0.12 0.05 -0.72 0.00 0.02 0.00 0.00 57.03 56.50 1n33 h ASP 92 Cb 0.39 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 39.50 1n33 h ASP 92 CO -0.76 0.39 -0.07 -0.76 -1.72 0.00 0.00 179.24 176.32 1n33 s LEU 93 N -10.06 5.72 0.19 1.55 1.43 -1.03 -1.22 118.68 115.25 1n33 s LEU 93 Ca -0.11 -3.37 -0.33 0.00 -1.03 0.00 0.00 54.13 49.29 1n33 s LEU 93 Cb 0.23 -1.97 -0.14 0.00 0.03 0.00 0.00 46.19 44.33 1n33 s LEU 93 CO 0.80 -0.29 1.38 -2.65 0.23 0.00 0.00 176.35 175.82 1n33 n PRO 94 N 2.86 1.75 0.00 1.29 -0.02 -1.26 -1.34 135.00 138.28 1n33 n PRO 94 Ca 0.17 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1n33 n PRO 94 Cb 0.39 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1n33 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n33 n GLY 95 N 2.44 2.37 3.27 -1.23 0.00 -1.26 -5.04 105.19 105.74 1n33 n GLY 95 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1n33 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n33 s VAL 96 N -2.22 4.47 -1.58 1.61 1.01 -0.45 -4.72 120.40 118.52 1n33 s VAL 96 Ca 0.00 -1.48 0.17 0.00 0.00 0.00 0.00 61.98 60.67 1n33 s VAL 96 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1n33 s VAL 96 CO 0.00 -0.64 0.90 0.54 0.00 0.00 0.00 175.10 175.90 1n33 n ARG 97 N 4.99 1.61 -4.27 2.72 1.74 -1.26 -2.83 116.66 119.37 1n33 n ARG 97 Ca -0.10 -0.87 -0.20 0.00 -0.77 0.00 0.00 57.85 55.91 1n33 n ARG 97 Cb 0.42 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 1n33 n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1n33 s TYR 98 N -1.95 1.31 0.39 -1.55 1.51 -1.20 -0.20 117.35 115.66 1n33 s TYR 98 Ca 0.14 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1n33 s TYR 98 Cb 0.14 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1n33 s TYR 98 CO 0.42 0.07 0.28 -1.01 -1.11 0.00 0.00 175.55 174.19 1n33 s HIS 99 N -1.09 2.72 0.20 2.71 3.76 -1.26 -0.07 115.29 122.26 1n33 s HIS 99 Ca 0.01 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1n33 s HIS 99 Cb -0.09 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1n33 s HIS 99 CO 0.02 0.09 0.14 0.42 -0.85 0.00 0.00 174.74 174.55 1n33 s ILE 100 N -2.46 4.34 -1.16 0.60 1.09 -0.79 -0.57 121.20 122.24 1n33 s ILE 100 Ca 0.43 -1.27 -0.06 0.00 -1.10 0.00 0.00 60.65 58.65 1n33 s ILE 100 Cb -0.02 -3.26 0.25 0.00 -1.06 0.00 0.00 42.46 38.37 1n33 s ILE 100 CO 0.25 -0.21 1.68 0.52 -0.10 0.00 0.00 174.94 177.09 1n33 n VAL 101 N -0.65 5.01 -1.51 2.92 0.31 -0.01 -4.79 118.33 119.61 1n33 n VAL 101 Ca -0.08 -5.31 -0.27 0.00 -0.01 0.00 0.00 64.34 58.67 1n33 n VAL 101 Cb 0.56 -2.15 -0.19 0.00 -0.91 0.00 0.00 33.84 31.14 1n33 n VAL 101 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n33 n ARG 102 N 2.21 0.06 0.00 5.55 1.74 -1.26 -2.71 116.66 122.25 1n33 n ARG 102 Ca 0.33 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1n33 n ARG 102 Cb 0.34 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1n33 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n33 n GLY 103 N 5.89 -0.52 3.04 -0.13 0.00 -1.26 -1.46 105.19 110.74 1n33 n GLY 103 Ca 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 1n33 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n33 s VAL 104 N 0.00 0.09 0.00 1.61 1.01 -1.10 -4.80 120.40 117.21 1n33 s VAL 104 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1n33 s VAL 104 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1n33 s VAL 104 CO 0.00 -0.41 0.00 -1.22 0.00 0.00 0.00 175.10 173.47 1n33 n TYR 105 N 1.64 0.00 -1.02 5.22 0.53 -1.26 -1.39 117.16 120.87 1n33 n TYR 105 Ca -0.23 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.72 1n33 n TYR 105 Cb 0.56 0.00 0.28 0.00 -1.03 0.00 0.00 39.34 39.15 1n33 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1n33 n ASP 106 N 10.66 4.15 0.19 7.72 10.43 -0.82 -4.53 116.55 144.35 1n33 n ASP 106 Ca 0.00 -3.07 0.08 0.00 2.57 0.00 0.00 54.79 54.37 1n33 n ASP 106 Cb 0.00 -0.59 0.20 0.00 1.84 0.00 0.00 41.12 42.57 1n33 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n33 h ALA 107 N 2.15 0.87 -2.99 2.24 0.00 -1.45 -3.40 119.26 116.68 1n33 h ALA 107 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1n33 h ALA 107 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1n33 h ALA 107 CO 0.31 0.31 -0.36 0.00 0.00 0.00 0.00 179.25 179.51 1n33 n ALA 108 N -2.17 -1.36 -0.91 0.00 0.00 -1.26 -4.19 120.51 110.61 1n33 n ALA 108 Ca 0.02 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1n33 n ALA 108 Cb 0.58 -0.30 0.03 0.00 0.00 0.00 0.00 19.45 19.77 1n33 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n33 n GLY 109 N 0.60 -3.89 3.67 0.00 0.00 -1.25 -4.75 105.19 99.56 1n33 n GLY 109 Ca -0.01 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1n33 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n33 n VAL 110 N -2.49 3.53 -4.00 1.61 0.31 -1.06 -4.96 118.33 111.27 1n33 n VAL 110 Ca -0.02 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.50 1n33 n VAL 110 Cb 0.55 -1.38 -0.05 0.00 -0.91 0.00 0.00 33.84 32.05 1n33 n VAL 110 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1n33 s LYS 111 N -2.68 3.13 -1.10 5.55 1.02 -1.26 -4.64 119.74 119.77 1n33 s LYS 111 Ca 0.72 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1n33 s LYS 111 Cb -0.44 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1n33 s LYS 111 CO 0.50 0.59 0.85 -0.25 -0.92 0.00 0.00 175.35 176.12 1n33 n ASP 112 N 0.45 -5.95 -4.04 2.83 9.92 -1.26 -4.99 116.55 113.51 1n33 n ASP 112 Ca -0.07 -0.87 -0.31 0.00 -0.53 0.00 0.00 54.79 53.00 1n33 n ASP 112 Cb 0.51 -4.24 -0.16 0.00 -0.64 0.00 0.00 41.12 36.60 1n33 n ASP 112 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1n33 s ARG 113 N -5.24 2.27 -0.16 -1.24 3.00 -1.26 -5.03 118.95 111.30 1n33 s ARG 113 Ca 0.47 -1.00 -0.12 0.00 -1.00 0.00 0.00 55.73 54.08 1n33 s ARG 113 Cb -0.12 -2.60 -0.07 0.00 0.00 0.00 0.00 34.95 32.16 1n33 s ARG 113 CO 0.80 -0.43 -0.07 0.87 0.00 0.00 0.00 175.30 176.47 1n33 h LYS 114 N 7.90 0.00 0.00 5.12 1.79 -1.99 -3.46 116.57 125.93 1n33 h LYS 114 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1n33 h LYS 114 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1n33 h LYS 114 CO 0.50 0.25 0.00 1.63 -1.08 0.00 0.00 179.45 180.75 1n33 n LYS 115 N -4.58 0.00 -1.52 3.15 4.76 -1.26 -4.50 118.16 114.21 1n33 n LYS 115 Ca -0.13 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 1n33 n LYS 115 Cb 0.36 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.43 1n33 n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1n33 n SER 116 N 0.00 0.66 -0.12 4.39 7.64 -1.26 -4.74 113.62 120.18 1n33 n SER 116 Ca 0.00 -0.36 -0.24 0.00 1.01 0.00 0.00 58.87 59.27 1n33 n SER 116 Cb 0.00 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 61.98 1n33 n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n33 n ARG 117 N 8.07 0.62 -0.11 1.43 1.74 -1.26 -4.41 116.66 122.74 1n33 n ARG 117 Ca 0.56 0.24 0.20 0.00 -0.77 0.00 0.00 57.85 58.09 1n33 n ARG 117 Cb 0.24 -1.53 0.62 0.00 -1.02 0.00 0.00 32.46 30.77 1n33 n ARG 117 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n33 h SER 118 N -0.55 0.16 -3.38 0.55 4.64 -1.87 -3.16 113.55 109.94 1n33 h SER 118 Ca -0.62 0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.16 1n33 h SER 118 Cb 1.73 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.76 1n33 h SER 118 CO -0.25 0.08 0.10 -0.54 -0.87 0.00 0.00 176.83 175.35 1n33 s LYS 119 N -5.17 4.44 0.00 4.77 1.02 -1.26 -3.12 119.74 120.42 1n33 s LYS 119 Ca -0.06 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1n33 s LYS 119 Cb 0.21 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1n33 s LYS 119 CO 0.75 0.24 0.00 0.66 -0.92 0.00 0.00 175.35 176.08 1n33 n TYR 120 N 3.07 0.00 -1.44 3.18 0.53 -1.25 -4.78 117.16 116.48 1n33 n TYR 120 Ca -0.03 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.82 1n33 n TYR 120 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 1n33 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n33 n GLY 121 N -2.44 0.02 2.73 2.72 0.00 -0.54 -2.55 105.19 105.14 1n33 n GLY 121 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1n33 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n33 s THR 122 N -0.34 -0.15 0.58 2.61 -4.23 -1.24 -3.96 115.64 108.91 1n33 s THR 122 Ca 0.03 0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 60.74 1n33 s THR 122 Cb -0.00 -0.19 -0.06 0.00 1.34 0.00 0.00 72.50 73.59 1n33 s THR 122 CO 0.07 0.16 0.95 0.29 -0.54 0.00 0.00 174.62 175.56 1n33 n LYS 123 N 5.22 0.94 -1.97 3.99 4.76 -1.26 -4.80 118.16 125.04 1n33 n LYS 123 Ca -0.05 0.36 -0.42 0.00 -2.87 0.00 0.00 58.31 55.32 1n33 n LYS 123 Cb 0.50 -2.13 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 1n33 n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1n33 s LYS 124 N -2.64 4.21 0.19 1.97 2.20 -1.26 -4.97 119.74 119.44 1n33 s LYS 124 Ca 0.74 2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 58.32 1n33 s LYS 124 Cb -0.43 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.19 1n33 s LYS 124 CO 0.49 -0.72 1.32 -1.25 -0.36 0.00 0.00 175.35 174.83 1n33 s PRO 125 N 2.66 4.37 0.48 4.03 0.04 -1.26 -5.01 135.00 140.31 1n33 s PRO 125 Ca 0.73 2.07 -0.19 0.00 0.04 0.00 0.00 61.00 63.64 1n33 s PRO 125 Cb -0.38 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 1n33 s PRO 125 CO 0.31 -0.28 0.99 -1.59 0.04 0.00 0.00 177.00 176.47 1n33 s LYS 126 N -0.02 3.97 -0.67 4.56 0.00 -1.26 -5.03 119.74 121.28 1n33 s LYS 126 Ca 0.57 1.16 0.03 0.00 0.00 0.00 0.00 55.97 57.73 1n33 s LYS 126 Cb -0.37 -2.13 0.16 0.00 0.00 0.00 0.00 37.83 35.49 1n33 s LYS 126 CO 0.38 -0.26 0.46 -1.21 0.00 0.00 0.00 175.35 174.72 1n33 s GLU 127 N -3.46 2.45 0.00 1.78 2.02 -1.26 -5.34 118.70 114.88 1n33 s GLU 127 Ca 0.63 -3.10 0.08 0.00 0.02 0.00 0.00 54.97 52.61 1n33 s GLU 127 Cb -0.12 -3.49 0.50 0.00 0.10 0.00 0.00 34.13 31.13 1n33 s GLU 127 CO 0.21 -1.23 0.95 0.00 0.02 0.00 0.00 175.26 175.21