#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c s THR 2 N 0.00 1.82 0.27 0.00 -4.23 -1.26 -5.04 115.64 107.20 3e1c s THR 2 Ca 0.00 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 3e1c s THR 2 Cb 0.00 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.78 3e1c s THR 2 CO 0.00 -0.67 1.88 -0.37 -0.54 0.00 0.00 174.62 174.92 3e1c h VAL 3 N 6.32 1.08 -0.00 2.29 -1.51 -2.05 0.70 116.25 123.08 3e1c h VAL 3 Ca -0.07 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3e1c h VAL 3 Cb 0.99 -0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 3e1c h VAL 3 CO 0.52 0.21 0.00 -3.20 -1.23 0.00 0.00 177.57 173.87 3e1c n ASN 4 N -4.50 0.10 -0.10 4.19 5.15 -1.26 -2.18 115.26 116.66 3e1c n ASN 4 Ca 0.16 -1.18 -0.14 0.00 -0.60 0.00 0.00 54.58 52.81 3e1c n ASN 4 Cb 0.19 -0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.34 3e1c n ASN 4 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3e1c n GLN 5 N -0.84 0.55 0.07 1.20 1.13 -0.96 -4.77 117.38 113.76 3e1c n GLN 5 Ca 0.20 0.11 -0.12 0.00 -1.94 0.00 0.00 57.00 55.25 3e1c n GLN 5 Cb 0.11 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 28.96 3e1c n GLN 5 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3e1c h LEU 6 N 0.00 -0.18 -1.41 1.08 7.12 -0.47 -3.38 115.31 118.07 3e1c h LEU 6 Ca -0.46 -0.32 0.33 0.00 0.13 0.00 0.00 57.88 57.56 3e1c h LEU 6 Cb 1.73 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.86 3e1c h LEU 6 CO -0.07 0.26 1.13 1.62 -0.13 0.00 0.00 178.44 181.26 3e1c h VAL 7 N -0.67 0.08 0.03 1.05 3.04 -1.70 -3.11 116.25 114.96 3e1c h VAL 7 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3e1c h VAL 7 Cb 0.49 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 3e1c h VAL 7 CO 0.04 0.00 -0.02 0.03 -1.01 0.00 0.00 177.57 176.61 3e1c h ARG 8 N 0.00 -0.04 -0.12 4.17 3.08 -1.88 -3.45 114.38 116.14 3e1c h ARG 8 Ca 0.54 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.41 3e1c h ARG 8 Cb 2.80 0.01 -0.26 0.00 0.08 0.00 0.00 29.97 32.59 3e1c h ARG 8 CO -0.01 0.42 -0.66 0.36 -1.07 0.00 0.00 179.97 179.01 3e1c n LYS 9 N -4.89 0.91 0.00 0.04 2.85 -1.17 -5.06 118.16 110.84 3e1c n LYS 9 Ca -0.08 -1.96 0.00 0.00 -1.05 0.00 0.00 58.31 55.21 3e1c n LYS 9 Cb 0.25 -0.21 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 3e1c n LYS 9 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3e1c n PRO 10 N -0.56 0.00 0.00 -1.58 -0.04 -1.25 -4.92 135.00 126.65 3e1c n PRO 10 Ca -0.08 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3e1c n PRO 10 Cb 0.87 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 3e1c n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3e1c n ARG 11 N -1.34 0.00 -0.94 0.54 3.00 -1.26 -5.13 116.66 111.54 3e1c n ARG 11 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 3e1c n ARG 11 Cb 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 32.46 32.25 3e1c n ARG 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3e1c s ALA 12 N -1.00 1.51 0.00 5.13 0.00 -1.26 -5.04 121.76 121.10 3e1c s ALA 12 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3e1c s ALA 12 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3e1c s ALA 12 CO 0.00 -2.51 0.00 2.89 0.00 0.00 0.00 175.76 176.14 3e1c n ARG 13 N -4.03 5.68 -0.02 0.00 0.00 -1.26 -4.66 116.66 112.37 3e1c n ARG 13 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.93 3e1c n ARG 13 Cb 0.53 -0.52 0.25 0.00 -0.00 0.00 0.00 32.46 32.72 3e1c n ARG 13 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3e1c h LYS 14 N 0.00 0.56 -1.10 2.89 1.63 -2.05 -3.51 116.57 114.98 3e1c h LYS 14 Ca 0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3e1c h LYS 14 Cb 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3e1c h LYS 14 CO 0.00 0.63 0.00 1.33 -3.45 0.00 0.00 179.45 177.96 3e1c n VAL 15 N -4.23 0.00 -0.01 2.00 0.24 -1.26 -4.86 118.33 110.21 3e1c n VAL 15 Ca 0.01 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3e1c n VAL 15 Cb 0.29 0.00 0.29 0.00 -1.47 0.00 0.00 33.84 32.95 3e1c n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1c h ALA 16 N -0.05 1.35 -2.11 2.33 0.00 -2.00 -3.47 119.26 115.32 3e1c h ALA 16 Ca 0.00 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 3e1c h ALA 16 Cb 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 17.68 3e1c h ALA 16 CO 0.00 0.45 0.88 1.17 0.00 0.00 0.00 179.25 181.75 3e1c n LYS 17 N -4.28 2.04 0.00 0.00 4.81 -1.26 -4.87 118.16 114.61 3e1c n LYS 17 Ca 0.02 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3e1c n LYS 17 Cb 0.25 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.77 3e1c n LYS 17 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3e1c n SER 18 N 4.56 0.00 -2.16 3.14 3.41 -1.26 -5.14 113.62 116.16 3e1c n SER 18 Ca 0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3e1c n SER 18 Cb 0.28 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3e1c n SER 18 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3e1c n ASN 19 N -1.08 -2.04 -3.26 4.04 2.85 -1.26 -5.01 115.26 109.49 3e1c n ASN 19 Ca 0.00 1.12 -0.25 0.00 -0.11 0.00 0.00 54.58 55.34 3e1c n ASN 19 Cb 0.00 -2.07 -0.07 0.00 1.24 0.00 0.00 39.78 38.88 3e1c n ASN 19 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3e1c n VAL 20 N 2.03 1.17 -1.97 3.44 0.24 -1.26 -5.05 118.33 116.92 3e1c n VAL 20 Ca -0.01 -4.79 -0.30 0.00 -2.04 0.00 0.00 64.34 57.19 3e1c n VAL 20 Cb 0.01 -1.81 0.01 0.00 -1.47 0.00 0.00 33.84 30.58 3e1c n VAL 20 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3e1c s PRO 21 N -2.15 3.59 0.45 7.34 0.04 -1.26 -4.92 135.00 138.09 3e1c s PRO 21 Ca 0.39 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3e1c s PRO 21 Cb 0.19 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3e1c s PRO 21 CO -0.07 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.45 3e1c n ALA 22 N -2.68 -3.27 0.12 8.56 0.00 -1.26 -5.11 120.51 116.87 3e1c n ALA 22 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.16 3e1c n ALA 22 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3e1c n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3e1c n LEU 23 N -3.96 -0.87 0.00 0.00 -0.00 -1.26 -5.06 117.00 105.85 3e1c n LEU 23 Ca -0.06 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 3e1c n LEU 23 Cb 0.57 0.97 0.00 0.00 -0.00 0.00 0.00 43.42 44.97 3e1c n LEU 23 CO 0.03 -0.52 0.00 1.21 -0.00 0.00 0.00 177.39 178.11 3e1c n GLU 24 N -3.22 0.00 0.00 1.96 4.07 -1.26 -3.73 120.64 118.46 3e1c n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3e1c n GLU 24 Cb 0.00 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 3e1c n GLU 24 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3e1c n ALA 25 N 0.00 0.90 -2.24 4.31 0.00 -1.26 -5.15 120.51 117.07 3e1c n ALA 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3e1c n ALA 25 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3e1c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c h PRO 27 N 3.27 0.15 -7.24 0.00 0.13 -1.97 -3.45 132.00 122.89 3e1c h PRO 27 Ca -0.35 -0.25 -0.52 0.00 -0.87 0.00 0.00 66.00 64.01 3e1c h PRO 27 Cb 1.16 0.09 0.14 0.00 0.13 0.00 0.00 31.00 32.53 3e1c h PRO 27 CO 0.62 0.98 0.33 -0.65 -0.23 0.00 0.00 178.00 179.06 3e1c s GLN 28 N -2.64 2.11 0.19 0.86 -0.21 -1.26 -4.69 119.66 114.02 3e1c s GLN 28 Ca -0.06 1.48 -0.24 0.00 0.02 0.00 0.00 55.36 56.56 3e1c s GLN 28 Cb 0.08 -1.86 0.06 0.00 1.00 0.00 0.00 33.01 32.29 3e1c s GLN 28 CO 0.84 -1.80 0.91 0.21 -2.12 0.00 0.00 175.29 173.33 3e1c s LYS 29 N -4.35 1.37 0.19 2.91 2.47 -0.89 -4.94 119.74 116.50 3e1c s LYS 29 Ca 0.68 -0.78 -0.27 0.00 -1.56 0.00 0.00 55.97 54.03 3e1c s LYS 29 Cb -0.23 0.45 -0.08 0.00 -1.46 0.00 0.00 37.83 36.52 3e1c s LYS 29 CO 0.49 -0.63 0.85 1.03 0.16 0.00 0.00 175.35 177.25 3e1c s ARG 30 N -3.27 4.69 -0.57 4.03 1.81 -1.26 0.03 118.95 124.40 3e1c s ARG 30 Ca 0.13 1.30 0.04 0.00 -1.72 0.00 0.00 55.73 55.48 3e1c s ARG 30 Cb -0.03 -3.28 0.16 0.00 -0.45 0.00 0.00 34.95 31.36 3e1c s ARG 30 CO 0.04 0.53 0.40 0.20 -0.68 0.00 0.00 175.30 175.79 3e1c s GLY 31 N -1.09 2.24 -0.23 -3.53 0.00 -0.81 -4.91 107.32 98.99 3e1c s GLY 31 Ca 0.38 -3.23 -0.34 0.00 0.00 0.00 0.00 44.72 41.53 3e1c s GLY 31 CO 0.29 1.43 2.07 3.33 0.00 0.00 0.00 173.10 180.21 3e1c n VAL 32 N 2.53 0.36 1.14 1.40 0.24 -1.26 -4.31 118.33 118.42 3e1c n VAL 32 Ca 0.20 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3e1c n VAL 32 Cb 0.38 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 3e1c n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1c n THR 34 N -0.34 0.00 -3.70 0.00 -1.04 -1.24 -3.99 114.28 103.97 3e1c n THR 34 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3e1c n THR 34 Cb 0.04 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.45 3e1c n THR 34 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3e1c s ARG 35 N 0.00 0.54 -0.19 -2.82 6.06 -1.26 -5.00 118.95 116.29 3e1c s ARG 35 Ca 0.00 0.75 -0.20 0.00 -2.50 0.00 0.00 55.73 53.78 3e1c s ARG 35 Cb 0.00 0.20 -0.03 0.00 0.06 0.00 0.00 34.95 35.18 3e1c s ARG 35 CO 0.00 -0.09 0.60 0.54 -2.50 0.00 0.00 175.30 173.84 3e1c s VAL 36 N 0.62 5.05 -0.11 7.11 0.11 -1.26 -2.49 120.40 129.43 3e1c s VAL 36 Ca -0.03 1.13 -0.04 0.00 -2.93 0.00 0.00 61.98 60.11 3e1c s VAL 36 Cb -0.05 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 3e1c s VAL 36 CO -0.04 0.15 0.05 -0.31 -3.33 0.00 0.00 175.10 171.61 3e1c s TYR 37 N 1.70 3.28 -0.06 1.54 1.51 0.23 -4.99 117.35 120.56 3e1c s TYR 37 Ca 0.28 0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.67 3e1c s TYR 37 Cb -0.16 -1.88 0.14 0.00 -0.11 0.00 0.00 41.96 39.95 3e1c s TYR 37 CO 0.11 0.47 1.03 -2.37 -1.11 0.00 0.00 175.55 173.67 3e1c n THR 38 N 2.37 1.20 -4.40 -0.71 5.66 -1.26 -2.67 114.28 114.47 3e1c n THR 38 Ca -0.19 -1.38 -0.23 0.00 -3.05 0.00 0.00 64.05 59.21 3e1c n THR 38 Cb 0.54 0.19 -0.08 0.00 -1.55 0.00 0.00 70.33 69.43 3e1c n THR 38 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3e1c s THR 39 N -1.67 0.22 0.00 1.09 -1.32 -1.26 -4.92 115.64 107.78 3e1c s THR 39 Ca 0.15 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 3e1c s THR 39 Cb 0.13 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 3e1c s THR 39 CO 0.01 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.83 3e1c n THR 40 N -0.79 0.00 -1.66 5.08 -1.04 -1.26 -5.08 114.28 109.52 3e1c n THR 40 Ca 0.01 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.56 3e1c n THR 40 Cb 0.63 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.10 3e1c n THR 40 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3e1c n PRO 41 N 0.05 2.02 -3.92 -2.82 -0.02 -1.26 -5.00 135.00 124.06 3e1c n PRO 41 Ca 0.00 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 62.11 3e1c n PRO 41 Cb 0.00 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 3e1c n PRO 41 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3e1c s LYS 42 N 0.60 1.34 0.24 -0.52 -0.14 -1.26 -5.06 119.74 114.94 3e1c s LYS 42 Ca 0.77 -1.12 -0.04 0.00 -1.36 0.00 0.00 55.97 54.22 3e1c s LYS 42 Cb -0.70 0.44 0.27 0.00 -1.68 0.00 0.00 37.83 36.16 3e1c s LYS 42 CO 0.41 -0.53 1.76 0.87 -0.76 0.00 0.00 175.35 177.09 3e1c h LYS 43 N 2.36 0.92 -6.26 1.68 1.79 -2.01 -3.38 116.57 111.67 3e1c h LYS 43 Ca -0.29 -0.23 -0.57 0.00 -2.18 0.00 0.00 60.65 57.38 3e1c h LYS 43 Cb 1.24 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 3e1c h LYS 43 CO 0.41 0.86 1.19 -1.25 -1.08 0.00 0.00 179.45 179.59 3e1c s PRO 44 N -5.14 3.68 -1.10 3.15 0.04 -1.26 -4.90 135.00 129.48 3e1c s PRO 44 Ca -0.10 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 3e1c s PRO 44 Cb 0.15 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.51 3e1c s PRO 44 CO 0.82 -1.44 2.18 0.09 0.04 0.00 0.00 177.00 178.70 3e1c n ASN 45 N 8.98 4.23 -2.00 6.66 3.02 -1.26 -4.90 115.26 129.99 3e1c n ASN 45 Ca 0.20 -2.63 -0.08 0.00 -0.03 0.00 0.00 54.58 52.05 3e1c n ASN 45 Cb 0.45 -1.31 -0.12 0.00 -0.61 0.00 0.00 39.78 38.20 3e1c n ASN 45 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3e1c n SER 46 N 5.86 4.33 -4.58 6.41 7.64 -1.26 -5.00 113.62 127.03 3e1c n SER 46 Ca 0.53 -2.28 -0.33 0.00 1.01 0.00 0.00 58.87 57.80 3e1c n SER 46 Cb 0.32 -1.13 0.14 0.00 -1.01 0.00 0.00 64.21 62.52 3e1c n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3e1c n ALA 47 N 2.42 -1.23 0.00 -0.43 0.00 -1.26 -4.15 120.51 115.86 3e1c n ALA 47 Ca 0.29 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3e1c n ALA 47 Cb 0.70 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3e1c n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3e1c n LEU 48 N -2.78 0.00 -3.17 0.00 4.77 -1.26 -4.86 117.00 109.69 3e1c n LEU 48 Ca 0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 3e1c n LEU 48 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3e1c n LEU 48 CO 0.49 0.00 2.19 0.54 -1.33 0.00 0.00 177.39 179.28 3e1c n ARG 49 N -0.62 1.81 -1.73 3.23 1.74 -1.26 -4.92 116.66 114.92 3e1c n ARG 49 Ca 0.00 -1.36 -0.27 0.00 -0.77 0.00 0.00 57.85 55.45 3e1c n ARG 49 Cb 0.00 -2.42 -0.08 0.00 -1.02 0.00 0.00 32.46 28.94 3e1c n ARG 49 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3e1c n LYS 50 N 4.43 1.05 -1.27 5.56 2.85 -1.26 -4.86 118.16 124.67 3e1c n LYS 50 Ca 0.39 -2.09 -0.36 0.00 -1.05 0.00 0.00 58.31 55.21 3e1c n LYS 50 Cb 0.13 -3.63 0.08 0.00 -0.65 0.00 0.00 35.03 30.96 3e1c n LYS 50 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3e1c n VAL 51 N 7.95 2.15 -4.34 0.58 0.31 -1.09 -4.69 118.33 119.19 3e1c n VAL 51 Ca 0.44 -0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 64.23 3e1c n VAL 51 Cb 0.46 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 3e1c n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3e1c s ARG 53 N -3.70 2.46 -0.18 0.00 1.70 -1.04 -1.10 118.95 117.09 3e1c s ARG 53 Ca 0.24 -1.07 -0.04 0.00 -0.47 0.00 0.00 55.73 54.38 3e1c s ARG 53 Cb 0.01 -2.56 0.09 0.00 -0.57 0.00 0.00 34.95 31.92 3e1c s ARG 53 CO 0.07 -0.72 0.27 0.08 -1.08 0.00 0.00 175.30 173.92 3e1c s VAL 54 N -2.69 -0.42 -0.64 4.99 1.01 -0.79 -3.61 120.40 118.24 3e1c s VAL 54 Ca 0.59 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.35 3e1c s VAL 54 Cb -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3e1c s VAL 54 CO 0.38 -0.06 1.79 -0.60 0.00 0.00 0.00 175.10 176.60 3e1c s ARG 55 N 2.41 2.70 -0.03 2.72 6.06 -1.26 -4.48 118.95 127.06 3e1c s ARG 55 Ca 0.06 0.46 -0.01 0.00 -2.50 0.00 0.00 55.73 53.73 3e1c s ARG 55 Cb -0.14 -4.39 0.03 0.00 0.06 0.00 0.00 34.95 30.51 3e1c s ARG 55 CO -0.11 -2.68 0.05 -0.51 -2.50 0.00 0.00 175.30 169.55 3e1c s LEU 56 N 8.67 0.56 -0.61 -0.88 1.43 -1.26 -4.91 118.68 121.68 3e1c s LEU 56 Ca 0.63 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.55 3e1c s LEU 56 Cb -0.12 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 3e1c s LEU 56 CO 0.19 -0.19 2.06 -0.89 0.23 0.00 0.00 176.35 177.75 3e1c s THR 57 N 1.66 3.24 0.00 5.49 2.01 -1.26 -4.69 115.64 122.09 3e1c s THR 57 Ca -0.02 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3e1c s THR 57 Cb -0.12 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3e1c s THR 57 CO -0.03 -0.60 0.00 0.59 -0.69 0.00 0.00 174.62 173.89 3e1c n ASN 58 N 14.12 1.18 0.00 3.53 5.03 -1.26 -4.92 115.26 132.94 3e1c n ASN 58 Ca 0.28 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.70 3e1c n ASN 58 Cb 0.52 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 3e1c n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3e1c n GLY 59 N 0.66 2.80 3.14 7.41 0.00 -1.26 -4.84 105.19 113.10 3e1c n GLY 59 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3e1c n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3e1c s PHE 60 N -1.41 0.78 0.80 1.61 5.36 -1.26 -5.16 117.98 118.70 3e1c s PHE 60 Ca 0.00 -1.13 -0.14 0.00 -0.96 0.00 0.00 56.93 54.70 3e1c s PHE 60 Cb 0.00 -0.47 0.02 0.00 -0.34 0.00 0.00 43.02 42.23 3e1c s PHE 60 CO 0.00 -0.41 0.78 0.39 -1.46 0.00 0.00 175.22 174.52 3e1c n GLU 61 N -0.03 0.15 -3.64 10.12 1.02 -1.26 -5.02 120.64 121.98 3e1c n GLU 61 Ca -0.09 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 3e1c n GLU 61 Cb 0.62 -2.08 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 3e1c n GLU 61 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3e1c s VAL 62 N -2.08 0.03 0.03 2.62 -7.23 -1.26 -5.11 120.40 107.40 3e1c s VAL 62 Ca 0.67 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 60.53 3e1c s VAL 62 Cb -0.30 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 3e1c s VAL 62 CO 0.57 -0.15 0.08 0.42 -0.31 0.00 0.00 175.10 175.71 3e1c s THR 63 N -1.52 0.13 -0.04 5.32 -4.23 -1.26 -1.89 115.64 112.15 3e1c s THR 63 Ca -0.11 -1.09 -0.15 0.00 -1.18 0.00 0.00 61.69 59.16 3e1c s THR 63 Cb -0.02 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 73.01 3e1c s THR 63 CO 0.05 -0.60 0.33 -0.44 -0.54 0.00 0.00 174.62 173.42 3e1c s SER 64 N -2.06 -0.25 0.35 3.99 0.01 -0.26 -3.43 113.70 112.06 3e1c s SER 64 Ca -0.06 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.45 3e1c s SER 64 Cb -0.02 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 3e1c s SER 64 CO -0.04 -0.38 0.55 -0.47 0.41 0.00 0.00 173.24 173.31 3e1c s TYR 65 N -1.00 3.49 -1.79 2.43 5.04 -0.28 -3.05 117.35 122.20 3e1c s TYR 65 Ca -0.11 0.35 0.08 0.00 -2.44 0.00 0.00 57.07 54.95 3e1c s TYR 65 Cb -0.04 -1.91 0.47 0.00 0.35 0.00 0.00 41.96 40.83 3e1c s TYR 65 CO 0.04 0.11 1.02 0.44 -1.34 0.00 0.00 175.55 175.81 3e1c n ILE 66 N -1.80 0.31 0.00 3.14 -6.64 -1.26 -1.44 119.36 111.67 3e1c n ILE 66 Ca -0.05 0.08 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 3e1c n ILE 66 Cb 0.56 -0.94 0.00 0.00 -1.44 0.00 0.00 39.64 37.82 3e1c n ILE 66 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3e1c n GLY 67 N -0.52 0.08 0.00 3.28 0.00 -1.26 -4.76 105.19 102.01 3e1c n GLY 67 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3e1c n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1c n GLY 68 N 0.00 -1.08 3.51 -0.02 0.00 -1.26 -4.97 105.19 101.37 3e1c n GLY 68 Ca 0.00 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 3e1c n GLY 68 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3e1c n GLU 69 N 0.00 0.85 0.00 1.61 0.28 -1.26 -4.89 120.64 117.23 3e1c n GLU 69 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 3e1c n GLU 69 Cb 0.00 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.26 3e1c n GLU 69 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e1c n GLY 70 N 1.55 0.54 0.34 -1.84 0.00 -1.25 -3.89 105.19 100.63 3e1c n GLY 70 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3e1c n GLY 70 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3e1c h HIS 71 N 0.00 -0.94 0.00 1.61 2.76 -1.90 -3.30 115.15 113.39 3e1c h HIS 71 Ca 0.00 0.06 -0.50 0.00 -2.20 0.00 0.00 60.37 57.72 3e1c h HIS 71 Cb 0.00 0.46 0.02 0.00 1.55 0.00 0.00 27.41 29.45 3e1c h HIS 71 CO 0.00 -0.39 3.12 -1.71 -1.30 0.00 0.00 177.93 177.65 3e1c n ASN 72 N -5.42 6.43 -3.75 3.26 5.15 -1.26 -4.82 115.26 114.85 3e1c n ASN 72 Ca 0.00 -2.44 -0.42 0.00 -0.60 0.00 0.00 54.58 51.13 3e1c n ASN 72 Cb 0.34 -1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 38.29 3e1c n ASN 72 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3e1c n LEU 73 N 4.04 6.47 -4.73 1.20 7.94 -1.24 -4.79 117.00 125.89 3e1c n LEU 73 Ca 0.59 -3.99 -0.41 0.00 -1.11 0.00 0.00 56.01 51.09 3e1c n LEU 73 Cb 0.18 -1.60 -0.04 0.00 0.53 0.00 0.00 43.42 42.49 3e1c n LEU 73 CO 0.77 0.89 0.64 -1.58 -1.11 0.00 0.00 177.39 177.00 3e1c s GLN 74 N 3.46 4.63 0.30 1.96 -0.44 -1.26 -4.98 119.66 123.32 3e1c s GLN 74 Ca 0.49 1.38 0.09 0.00 -2.50 0.00 0.00 55.36 54.82 3e1c s GLN 74 Cb 0.14 -3.40 0.52 0.00 -1.64 0.00 0.00 33.01 28.62 3e1c s GLN 74 CO -0.06 0.15 1.14 -1.91 0.50 0.00 0.00 175.29 175.12 3e1c n GLU 75 N 3.10 0.07 0.01 1.67 2.13 -1.26 -0.81 120.64 125.54 3e1c n GLU 75 Ca 0.03 0.52 0.12 0.00 0.66 0.00 0.00 57.16 58.48 3e1c n GLU 75 Cb 0.50 -2.10 0.18 0.00 0.27 0.00 0.00 31.44 30.29 3e1c n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3e1c n HIS 76 N -1.92 0.06 -1.58 4.31 8.25 -1.26 -3.69 115.22 119.39 3e1c n HIS 76 Ca -0.01 0.02 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 3e1c n HIS 76 Cb 0.39 -0.27 0.06 0.00 1.12 0.00 0.00 29.99 31.30 3e1c n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3e1c s SER 77 N -3.17 5.15 -0.33 0.41 0.15 0.01 -4.88 113.70 111.04 3e1c s SER 77 Ca 0.10 1.51 0.16 0.00 0.70 0.00 0.00 55.95 58.42 3e1c s SER 77 Cb 0.17 -2.35 0.44 0.00 -1.71 0.00 0.00 66.02 62.57 3e1c s SER 77 CO 0.73 -1.58 0.98 0.55 1.20 0.00 0.00 173.24 175.12 3e1c n VAL 78 N -3.21 0.77 -0.68 4.45 3.14 -1.26 -3.16 118.33 118.39 3e1c n VAL 78 Ca 0.07 -3.00 -0.31 0.00 -2.96 0.00 0.00 64.34 58.15 3e1c n VAL 78 Cb 0.54 0.64 0.27 0.00 -1.06 0.00 0.00 33.84 34.23 3e1c n VAL 78 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 3e1c s ILE 79 N -2.67 1.30 0.04 1.55 -0.00 -1.26 -4.44 121.20 115.72 3e1c s ILE 79 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.92 3e1c s ILE 79 Cb 0.44 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.46 40.60 3e1c s ILE 79 CO 0.01 0.00 0.19 -0.76 -0.00 0.00 0.00 174.94 174.39 3e1c s LEU 80 N -7.51 4.34 -0.07 0.37 2.01 -1.15 -1.93 118.68 114.74 3e1c s LEU 80 Ca 0.70 0.28 0.02 0.00 0.01 0.00 0.00 54.13 55.14 3e1c s LEU 80 Cb -0.10 -2.82 -0.03 0.00 0.01 0.00 0.00 46.19 43.25 3e1c s LEU 80 CO 0.56 0.20 -0.10 -0.63 1.01 0.00 0.00 176.35 177.39 3e1c s ILE 81 N -1.44 3.40 0.06 -0.59 -1.09 0.10 -1.24 121.20 120.41 3e1c s ILE 81 Ca 0.32 -0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 58.09 3e1c s ILE 81 Cb -0.13 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.37 3e1c s ILE 81 CO 0.25 0.59 0.12 0.00 -1.23 0.00 0.00 174.94 174.66 3e1c s ARG 82 N -0.67 0.71 0.79 2.79 1.70 -1.00 -2.10 118.95 121.18 3e1c s ARG 82 Ca 0.10 -0.92 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 3e1c s ARG 82 Cb -0.11 0.28 0.07 0.00 -0.57 0.00 0.00 34.95 34.61 3e1c s ARG 82 CO 0.01 -0.19 1.09 0.20 -1.08 0.00 0.00 175.30 175.32 3e1c s GLY 83 N -2.59 1.65 0.00 3.88 0.00 -1.26 -1.36 107.32 107.64 3e1c s GLY 83 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3e1c s GLY 83 CO -0.08 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.10 3e1c n GLY 84 N -1.46 1.02 3.49 0.20 0.00 -1.26 -4.64 105.19 102.53 3e1c n GLY 84 Ca 0.08 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3e1c n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3e1c s ARG 85 N 0.00 3.23 0.29 1.61 3.00 -1.26 -4.54 118.95 121.28 3e1c s ARG 85 Ca 0.00 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.73 53.63 3e1c s ARG 85 Cb 0.00 -4.39 -0.12 0.00 0.00 0.00 0.00 34.95 30.44 3e1c s ARG 85 CO 0.00 -1.94 1.61 0.28 0.00 0.00 0.00 175.30 175.25 3e1c n VAL 86 N 6.09 0.95 0.31 7.11 0.31 -1.26 -4.90 118.33 126.94 3e1c n VAL 86 Ca 0.04 -0.24 0.19 0.00 -0.01 0.00 0.00 64.34 64.32 3e1c n VAL 86 Cb 0.47 -1.98 1.01 0.00 -0.91 0.00 0.00 33.84 32.43 3e1c n VAL 86 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3e1c h LYS 87 N 4.96 0.00 -0.55 5.55 -0.00 -2.04 -2.87 116.57 121.62 3e1c h LYS 87 Ca -0.47 0.00 0.16 0.00 -0.00 0.00 0.00 60.65 60.34 3e1c h LYS 87 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.43 3e1c h LYS 87 CO 0.81 0.02 0.90 -0.44 -0.00 0.00 0.00 179.45 180.74 3e1c h ASP 88 N 0.00 0.00 -3.27 7.07 3.45 -2.04 -3.44 116.42 118.20 3e1c h ASP 88 Ca -0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3e1c h ASP 88 Cb 0.11 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.48 3e1c h ASP 88 CO 0.00 0.00 -0.76 -0.76 -1.57 0.00 0.00 179.24 176.15 3e1c s LEU 89 N -6.27 1.87 0.83 1.55 2.01 -1.09 -4.94 118.68 112.63 3e1c s LEU 89 Ca -0.02 -1.25 -0.11 0.00 0.01 0.00 0.00 54.13 52.75 3e1c s LEU 89 Cb 0.11 -0.80 0.09 0.00 0.01 0.00 0.00 46.19 45.60 3e1c s LEU 89 CO 0.36 -0.35 1.09 -2.16 1.01 0.00 0.00 176.35 176.31 3e1c s PRO 90 N 1.68 1.76 0.00 1.29 0.04 -1.26 -4.39 135.00 134.12 3e1c s PRO 90 Ca 0.03 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3e1c s PRO 90 Cb -0.17 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3e1c s PRO 90 CO -0.16 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.36 3e1c n GLY 91 N -1.22 0.68 3.75 0.56 0.00 -1.26 -4.95 105.19 102.74 3e1c n GLY 91 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3e1c n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1c s VAL 92 N 0.00 2.34 0.00 1.61 1.01 -1.26 -4.79 120.40 119.30 3e1c s VAL 92 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3e1c s VAL 92 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3e1c s VAL 92 CO 0.00 -0.03 0.26 0.54 0.00 0.00 0.00 175.10 175.87 3e1c n ARG 93 N -1.44 -0.13 -3.73 2.72 5.12 -1.22 -4.98 116.66 113.00 3e1c n ARG 93 Ca 0.13 -0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 55.66 3e1c n ARG 93 Cb 0.48 -0.68 -0.06 0.00 -1.16 0.00 0.00 32.46 31.03 3e1c n ARG 93 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3e1c s TYR 94 N -0.06 -0.08 0.12 -1.55 2.02 -1.25 -4.27 117.35 112.28 3e1c s TYR 94 Ca 0.00 -0.18 0.10 0.00 -0.37 0.00 0.00 57.07 56.61 3e1c s TYR 94 Cb 0.00 0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.64 3e1c s TYR 94 CO 0.00 -0.59 -0.24 -3.38 -1.57 0.00 0.00 175.55 169.77 3e1c s HIS 95 N -3.32 2.04 0.78 2.71 -3.43 -0.47 -1.13 115.29 112.47 3e1c s HIS 95 Ca 0.00 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 53.75 3e1c s HIS 95 Cb 0.02 -1.11 0.06 0.00 -1.43 0.00 0.00 32.58 30.12 3e1c s HIS 95 CO -0.08 0.28 1.11 0.95 -2.00 0.00 0.00 174.74 174.99 3e1c s THR 96 N -1.14 3.00 -0.24 -5.38 -4.23 -0.52 -2.38 115.64 104.74 3e1c s THR 96 Ca 0.10 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 3e1c s THR 96 Cb -0.10 -3.19 0.06 0.00 1.34 0.00 0.00 72.50 70.61 3e1c s THR 96 CO 0.05 -0.42 -0.08 0.54 -0.54 0.00 0.00 174.62 174.16 3e1c s VAL 97 N -3.29 1.85 -0.26 2.29 0.11 -0.37 -4.37 120.40 116.36 3e1c s VAL 97 Ca 0.60 -1.41 0.16 0.00 -2.93 0.00 0.00 61.98 58.40 3e1c s VAL 97 Cb -0.13 -2.03 0.42 0.00 -1.53 0.00 0.00 36.38 33.12 3e1c s VAL 97 CO 0.53 -0.05 1.32 -2.11 -3.33 0.00 0.00 175.10 171.46 3e1c n ARG 98 N 4.55 2.57 0.12 1.54 -4.01 -1.26 -2.93 116.66 117.24 3e1c n ARG 98 Ca -0.13 -2.62 0.06 0.00 -1.04 0.00 0.00 57.85 54.12 3e1c n ARG 98 Cb 0.43 -1.66 0.02 0.00 -3.04 0.00 0.00 32.46 28.22 3e1c n ARG 98 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 3e1c h GLY 99 N 1.35 0.00 -0.07 2.89 0.00 -1.92 -3.38 103.07 101.94 3e1c h GLY 99 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3e1c h GLY 99 CO 0.14 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.68 3e1c n ALA 100 N -2.23 -0.26 -0.43 3.60 0.00 -1.26 -4.34 120.51 115.58 3e1c n ALA 100 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3e1c n ALA 100 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3e1c n ALA 100 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3e1c n LEU 101 N 0.00 0.00 -0.59 0.00 4.77 -1.26 -2.43 117.00 117.49 3e1c n LEU 101 Ca 0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 3e1c n LEU 101 Cb 0.04 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.35 3e1c n LEU 101 CO 0.03 0.00 0.67 0.47 -1.33 0.00 0.00 177.39 177.23 3e1c n ASP 102 N -1.75 1.73 0.19 -1.43 9.92 -1.26 -4.72 116.55 119.22 3e1c n ASP 102 Ca 0.00 -1.91 0.08 0.00 -0.53 0.00 0.00 54.79 52.43 3e1c n ASP 102 Cb 0.00 -0.19 0.20 0.00 -0.64 0.00 0.00 41.12 40.49 3e1c n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3e1c n SER 104 N -3.21 0.00 0.00 0.00 2.88 -1.26 -4.70 113.62 107.32 3e1c n SER 104 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3e1c n SER 104 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3e1c n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3e1c n GLY 105 N 0.00 0.36 3.50 0.46 0.00 -1.26 -4.53 105.19 103.72 3e1c n GLY 105 Ca 0.00 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 3e1c n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3e1c n VAL 106 N 0.00 0.00 -3.18 1.61 0.31 -1.25 -3.90 118.33 111.91 3e1c n VAL 106 Ca 0.00 -0.38 -0.44 0.00 -0.01 0.00 0.00 64.34 63.51 3e1c n VAL 106 Cb 0.00 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 3e1c n VAL 106 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3e1c s LYS 107 N 8.11 3.10 0.00 5.55 1.02 -1.26 -4.76 119.74 131.50 3e1c s LYS 107 Ca 0.89 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.92 3e1c s LYS 107 Cb -0.23 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 3e1c s LYS 107 CO 0.19 -1.21 0.00 -0.25 -0.92 0.00 0.00 175.35 173.16 3e1c n ASP 108 N 6.06 0.00 -4.56 2.83 8.00 -1.26 -4.92 116.55 122.70 3e1c n ASP 108 Ca -0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 3e1c n ASP 108 Cb 0.45 -0.84 -0.11 0.00 -0.02 0.00 0.00 41.12 40.61 3e1c n ASP 108 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3e1c n ARG 109 N -1.95 0.21 0.15 -1.24 0.63 -1.26 -4.88 116.66 108.31 3e1c n ARG 109 Ca 0.00 -1.43 0.17 0.00 -0.92 0.00 0.00 57.85 55.67 3e1c n ARG 109 Cb 0.00 -3.79 0.59 0.00 0.45 0.00 0.00 32.46 29.71 3e1c n ARG 109 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3e1c h LYS 110 N 11.87 0.00 0.00 -0.14 -0.00 -1.93 -3.04 116.57 123.33 3e1c h LYS 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3e1c h LYS 110 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 3e1c h LYS 110 CO 1.01 0.00 0.00 1.04 -0.00 0.00 0.00 179.45 181.50 3e1c n GLN 111 N -3.15 0.02 0.00 0.07 3.00 -1.26 -4.37 117.38 111.68 3e1c n GLN 111 Ca 0.06 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.23 3e1c n GLN 111 Cb 0.77 -1.53 0.11 0.00 0.00 0.00 0.00 30.24 29.60 3e1c n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3e1c n ALA 112 N -1.52 1.65 -0.65 -1.58 0.00 -1.15 -4.86 120.51 112.40 3e1c n ALA 112 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3e1c n ALA 112 Cb 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3e1c n ALA 112 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1c n ARG 113 N -0.96 0.00 0.16 0.00 3.00 -1.26 -0.19 116.66 117.41 3e1c n ARG 113 Ca 0.03 0.21 0.10 0.00 -0.00 0.00 0.00 57.85 58.19 3e1c n ARG 113 Cb 0.01 -0.54 0.08 0.00 0.00 0.00 0.00 32.46 32.01 3e1c n ARG 113 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3e1c h SER 114 N 0.00 0.00 -1.01 6.15 4.64 -1.89 -1.70 113.55 119.74 3e1c h SER 114 Ca 0.00 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.57 3e1c h SER 114 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 3e1c h SER 114 CO 0.00 0.09 0.61 0.50 -0.87 0.00 0.00 176.83 177.16 3e1c h LYS 115 N 0.00 0.54 0.00 4.77 3.64 -0.92 -3.19 116.57 121.41 3e1c h LYS 115 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3e1c h LYS 115 Cb 1.08 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3e1c h LYS 115 CO 0.01 0.36 -0.10 0.66 -2.27 0.00 0.00 179.45 178.10 3e1c n TYR 116 N -4.84 0.00 -0.29 1.91 4.01 -0.67 -5.13 117.16 112.15 3e1c n TYR 116 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 3e1c n TYR 116 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 3e1c n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3e1c n GLY 117 N 0.41 -0.64 3.13 2.72 0.00 -1.13 -5.09 105.19 104.59 3e1c n GLY 117 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 3e1c n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3e1c s VAL 118 N 0.00 0.11 0.62 1.61 -7.23 -0.65 -5.03 120.40 109.83 3e1c s VAL 118 Ca 0.00 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3e1c s VAL 118 Cb 0.00 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.18 3e1c s VAL 118 CO 0.00 -0.52 0.91 -1.59 -0.31 0.00 0.00 175.10 173.59 3e1c s LYS 119 N -2.33 2.53 0.30 4.82 0.00 -1.26 -4.76 119.74 119.04 3e1c s LYS 119 Ca -0.07 -0.31 -0.28 0.00 0.00 0.00 0.00 55.97 55.31 3e1c s LYS 119 Cb -0.03 -2.29 -0.09 0.00 0.00 0.00 0.00 37.83 35.42 3e1c s LYS 119 CO -0.03 -0.91 0.97 1.03 0.00 0.00 0.00 175.35 176.41 3e1c s ARG 120 N -5.03 4.65 0.58 1.78 0.52 -1.26 -4.97 118.95 115.22 3e1c s ARG 120 Ca 0.57 1.46 -0.10 0.00 -0.52 0.00 0.00 55.73 57.14 3e1c s ARG 120 Cb -0.11 -2.99 0.15 0.00 0.52 0.00 0.00 34.95 32.52 3e1c s ARG 120 CO 0.43 0.32 0.34 -0.35 0.02 0.00 0.00 175.30 176.05 3e1c n PRO 121 N 0.91 -2.97 -1.66 3.54 -0.04 -1.26 -4.92 135.00 128.60 3e1c n PRO 121 Ca 0.00 -0.57 -0.16 0.00 -0.04 0.00 0.00 63.50 62.74 3e1c n PRO 121 Cb 0.48 -0.75 -0.07 0.00 -0.04 0.00 0.00 33.50 33.12 3e1c n PRO 121 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3e1c s LYS 122 N -3.71 1.72 0.00 0.54 1.02 -1.26 -5.26 119.74 112.79 3e1c s LYS 122 Ca 0.26 0.25 0.29 0.00 0.02 0.00 0.00 55.97 56.78 3e1c s LYS 122 Cb -0.05 -4.86 1.17 0.00 -0.52 0.00 0.00 37.83 33.58 3e1c s LYS 122 CO 0.22 -4.38 1.81 0.00 -0.92 0.00 0.00 175.35 172.08