#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3y h THR 2 N 0.00 1.44 -3.61 2.62 2.02 -2.15 -3.45 112.91 109.78 1c3y h THR 2 Ca 0.00 -1.71 -0.51 0.00 0.77 0.00 0.00 66.41 64.96 1c3y h THR 2 Cb 0.00 2.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1c3y h THR 2 CO 0.00 0.42 0.44 -2.16 0.37 0.00 0.00 175.52 174.59 1c3y s PRO 3 N -3.05 4.66 -0.13 6.66 0.04 -1.26 -4.93 135.00 136.98 1c3y s PRO 3 Ca -0.16 1.64 0.14 0.00 0.04 0.00 0.00 61.00 62.66 1c3y s PRO 3 Cb -0.01 -3.29 0.30 0.00 0.04 0.00 0.00 34.50 31.54 1c3y s PRO 3 CO 0.62 0.18 1.20 -2.13 0.04 0.00 0.00 177.00 176.91 1c3y n ARG 4 N 2.23 0.67 -3.46 4.56 3.00 -1.26 -5.12 116.66 117.28 1c3y n ARG 4 Ca 0.02 -1.77 -0.13 0.00 -0.00 0.00 0.00 57.85 55.97 1c3y n ARG 4 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 32.46 32.86 1c3y n ARG 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1c3y s GLU 5 N -0.69 1.12 0.00 -0.14 -1.05 -1.26 -5.05 118.70 111.63 1c3y s GLU 5 Ca 0.16 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 1c3y s GLU 5 Cb 0.27 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.48 1c3y s GLU 5 CO -0.08 -0.46 0.00 0.36 0.95 0.00 0.00 175.26 176.03 1c3y n LYS 6 N -0.04 0.00 -3.26 -4.83 2.85 -1.26 -5.13 118.16 106.48 1c3y n LYS 6 Ca -0.16 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.74 1c3y n LYS 6 Cb 0.62 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.95 1c3y n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1c3y s LEU 7 N -2.34 4.39 0.16 -5.58 1.43 -1.26 -5.08 118.68 110.41 1c3y s LEU 7 Ca 0.00 1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1c3y s LEU 7 Cb 0.00 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1c3y s LEU 7 CO 0.00 0.13 0.08 -1.59 0.23 0.00 0.00 176.35 175.20 1c3y s LYS 8 N -1.74 1.06 -0.35 1.70 -2.85 -1.26 -5.00 119.74 111.30 1c3y s LYS 8 Ca 0.37 -1.53 -0.07 0.00 -1.00 0.00 0.00 55.97 53.74 1c3y s LYS 8 Cb -0.17 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1c3y s LYS 8 CO 0.20 -0.29 0.27 0.94 0.10 0.00 0.00 175.35 176.56 1c3y n GLN 9 N -0.18 -2.87 -0.91 1.78 7.27 -1.26 -5.06 117.38 116.15 1c3y n GLN 9 Ca -0.03 2.41 0.00 0.00 0.07 0.00 0.00 57.00 59.45 1c3y n GLN 9 Cb 0.65 -5.36 0.00 0.00 2.41 0.00 0.00 30.24 27.94 1c3y n GLN 9 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1c3y n HIS 10 N 0.22 -1.92 0.00 3.69 -0.00 -1.26 -4.73 115.22 111.22 1c3y n HIS 10 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1c3y n HIS 10 Cb 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 1c3y n HIS 10 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1c3y n SER 11 N -2.05 0.00 -4.16 0.26 2.88 -1.26 -4.71 113.62 104.58 1c3y n SER 11 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1c3y n SER 11 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1c3y n SER 11 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1c3y n ASP 12 N 1.88 1.78 0.00 -3.46 5.75 -1.26 -1.41 116.55 119.82 1c3y n ASP 12 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 1c3y n ASP 12 Cb 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.76 1c3y n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c3y n ALA 13 N 14.23 0.00 0.16 2.12 0.00 -1.26 -4.96 120.51 130.80 1c3y n ALA 13 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.92 1c3y n ALA 13 Cb 0.45 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.07 1c3y n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c3y n LYS 15 N -3.38 0.27 0.18 0.00 4.81 -1.23 -3.31 118.16 115.50 1c3y n LYS 15 Ca 0.01 0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.41 1c3y n LYS 15 Cb 0.64 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.12 1c3y n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c3y h ALA 16 N 2.91 -0.55 0.16 3.14 0.00 -1.87 -3.25 119.26 119.80 1c3y h ALA 16 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1c3y h ALA 16 Cb 0.18 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1c3y h ALA 16 CO 0.00 -0.84 -1.41 1.49 0.00 0.00 0.00 179.25 178.48 1c3y h GLU 17 N -0.57 0.35 -4.74 0.00 4.81 -1.82 -3.39 114.58 109.22 1c3y h GLU 17 Ca -0.01 -0.60 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 1c3y h GLU 17 Cb 0.52 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1c3y h GLU 17 CO -0.05 1.29 2.55 -1.13 -0.73 0.00 0.00 179.01 180.93 1c3y n SER 18 N -3.83 3.87 -2.01 1.04 3.41 -1.21 -4.69 113.62 110.21 1c3y n SER 18 Ca -0.22 -2.82 -0.21 0.00 -0.26 0.00 0.00 58.87 55.36 1c3y n SER 18 Cb 0.97 -1.60 0.11 0.00 -0.26 0.00 0.00 64.21 63.43 1c3y n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c3y n GLY 19 N 4.69 4.33 0.28 5.00 0.00 -1.25 -4.49 105.19 113.74 1c3y n GLY 19 Ca 0.50 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 45.47 1c3y n GLY 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c3y h VAL 20 N 0.85 0.81 -3.59 1.61 3.04 -1.83 -3.46 116.25 113.68 1c3y h VAL 20 Ca 0.48 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 65.79 1c3y h VAL 20 Cb 1.87 0.99 0.03 0.00 -2.01 0.00 0.00 31.29 32.17 1c3y h VAL 20 CO 0.98 0.00 -0.53 -1.54 -1.01 0.00 0.00 177.57 175.47 1c3y n SER 21 N -4.27 -5.69 -2.14 3.17 3.41 -1.26 -1.76 113.62 105.08 1c3y n SER 21 Ca -0.03 -0.17 -0.16 0.00 -0.26 0.00 0.00 58.87 58.26 1c3y n SER 21 Cb 0.10 -4.60 -0.03 0.00 -0.26 0.00 0.00 64.21 59.42 1c3y n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c3y n GLU 22 N -3.41 -1.81 0.01 4.33 1.02 -1.26 -4.87 120.64 114.66 1c3y n GLU 22 Ca -0.15 0.82 -0.06 0.00 -0.02 0.00 0.00 57.16 57.75 1c3y n GLU 22 Cb 0.64 -5.35 -0.04 0.00 -0.02 0.00 0.00 31.44 26.67 1c3y n GLU 22 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1c3y h GLU 23 N 0.00 -0.13 -0.04 3.49 4.57 -1.73 -3.00 114.58 117.74 1c3y h GLU 23 Ca -0.36 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.71 1c3y h GLU 23 Cb 1.21 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1c3y h GLU 23 CO 0.45 0.14 -0.54 0.77 -1.18 0.00 0.00 179.01 178.66 1c3y h SER 24 N -1.00 0.12 -0.96 1.04 0.02 -1.90 -3.01 113.55 107.86 1c3y h SER 24 Ca -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1c3y h SER 24 Cb 0.33 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1c3y h SER 24 CO 0.02 0.63 0.61 -0.07 -1.14 0.00 0.00 176.83 176.88 1c3y h LEU 25 N 0.08 1.13 -1.37 5.07 3.38 -1.93 -1.57 115.31 120.11 1c3y h LEU 25 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1c3y h LEU 25 Cb 0.97 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1c3y h LEU 25 CO 0.08 0.85 0.18 0.78 0.09 0.00 0.00 178.44 180.41 1c3y h ASN 26 N 1.32 0.55 0.26 -0.43 -0.26 -1.38 -1.49 115.58 114.14 1c3y h ASN 26 Ca 0.35 -0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.94 1c3y h ASN 26 Cb -0.10 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1c3y h ASN 26 CO -0.07 0.49 -0.38 0.11 -1.06 0.00 0.00 177.43 176.52 1c3y h LYS 27 N 0.61 0.18 0.00 0.81 1.57 -1.32 -2.57 116.57 115.84 1c3y h LYS 27 Ca 0.15 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1c3y h LYS 27 Cb 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1c3y h LYS 27 CO -0.02 0.54 -0.04 0.28 -0.57 0.00 0.00 179.45 179.65 1c3y h VAL 28 N 0.15 0.86 -0.45 0.50 2.07 -0.76 -1.60 116.25 117.03 1c3y h VAL 28 Ca 0.02 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1c3y h VAL 28 Cb 0.75 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1c3y h VAL 28 CO 0.06 0.03 0.32 0.03 0.02 0.00 0.00 177.57 178.03 1c3y h ARG 29 N 0.00 0.03 -6.13 1.57 2.47 -1.42 -3.42 114.38 107.48 1c3y h ARG 29 Ca -0.00 -0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1c3y h ARG 29 Cb 0.07 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1c3y h ARG 29 CO 0.00 0.02 -0.38 1.21 0.56 0.00 0.00 179.97 181.38 1c3y s ASN 30 N -6.36 4.94 -1.18 7.04 3.84 -0.60 -5.02 114.94 117.61 1c3y s ASN 30 Ca -0.05 -0.83 -0.21 0.00 0.21 0.00 0.00 52.86 51.98 1c3y s ASN 30 Cb 0.19 -0.47 -0.00 0.00 -0.55 0.00 0.00 41.25 40.42 1c3y s ASN 30 CO 0.72 -0.69 1.79 -0.60 -2.79 0.00 0.00 177.10 175.54 1c3y s ARG 31 N -4.12 3.24 -0.29 0.43 3.52 -1.26 -4.80 118.95 115.67 1c3y s ARG 31 Ca 0.46 -1.39 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 1c3y s ARG 31 Cb -0.02 -5.36 0.15 0.00 -1.56 0.00 0.00 34.95 28.17 1c3y s ARG 31 CO 0.27 -3.00 0.38 -1.21 -0.81 0.00 0.00 175.30 170.94 1c3y s GLU 32 N 5.45 0.39 0.24 5.12 2.02 -1.26 -5.13 118.70 125.53 1c3y s GLU 32 Ca 0.60 0.09 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 1c3y s GLU 32 Cb 0.01 -0.38 -0.12 0.00 0.10 0.00 0.00 34.13 33.73 1c3y s GLU 32 CO 0.06 -1.02 1.62 0.39 0.02 0.00 0.00 175.26 176.34 1c3y n GLU 33 N 5.35 2.59 -4.12 1.61 -0.58 -1.26 -4.62 120.64 119.61 1c3y n GLU 33 Ca -0.00 0.93 -0.08 0.00 -0.42 0.00 0.00 57.16 57.58 1c3y n GLU 33 Cb 0.49 -2.72 -0.10 0.00 -0.57 0.00 0.00 31.44 28.53 1c3y n GLU 33 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1c3y s VAL 34 N 0.55 0.39 -0.25 2.62 0.11 -1.26 -5.12 120.40 117.45 1c3y s VAL 34 Ca 0.71 -1.83 -0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1c3y s VAL 34 Cb -0.54 -1.55 0.13 0.00 -1.53 0.00 0.00 36.38 32.89 1c3y s VAL 34 CO 0.41 -0.94 0.32 -0.62 -3.33 0.00 0.00 175.10 170.94 1c3y s ASP 35 N -2.92 0.83 0.03 3.54 -1.08 -1.26 -5.09 116.67 110.72 1c3y s ASP 35 Ca 0.08 -0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 51.95 1c3y s ASP 35 Cb 0.06 0.80 -0.02 0.00 -1.46 0.00 0.00 42.92 42.31 1c3y s ASP 35 CO -0.08 -0.33 -0.01 -1.81 0.52 0.00 0.00 175.17 173.46 1c3y s ASP 36 N 2.45 0.29 -0.03 -0.34 1.01 -1.26 -5.08 116.67 113.70 1c3y s ASP 36 Ca 0.10 -0.62 -0.25 0.00 0.71 0.00 0.00 52.55 52.50 1c3y s ASP 36 Cb -0.15 0.15 -0.19 0.00 1.01 0.00 0.00 42.92 43.74 1c3y s ASP 36 CO -0.20 -0.41 1.11 1.55 0.21 0.00 0.00 175.17 177.44 1c3y h PRO 37 N 4.13 -0.12 -0.29 8.23 0.13 -2.00 -3.03 132.00 139.04 1c3y h PRO 37 Ca -0.33 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.87 1c3y h PRO 37 Cb 1.19 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1c3y h PRO 37 CO 0.49 0.36 0.20 0.87 -0.23 0.00 0.00 178.00 179.70 1c3y h LYS 38 N -0.67 0.13 0.78 0.86 1.57 -1.95 0.18 116.57 117.47 1c3y h LYS 38 Ca -0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1c3y h LYS 38 Cb 0.53 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1c3y h LYS 38 CO 0.02 0.09 -0.37 1.25 -0.57 0.00 0.00 179.45 179.86 1c3y h LEU 39 N 0.13 -0.89 -1.28 2.94 6.46 -1.94 0.30 115.31 121.04 1c3y h LEU 39 Ca 0.13 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1c3y h LEU 39 Cb 0.36 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1c3y h LEU 39 CO -0.02 -0.55 0.33 0.11 -0.62 0.00 0.00 178.44 177.69 1c3y h LYS 40 N -1.20 0.83 0.49 1.25 1.57 -1.35 -1.96 116.57 116.20 1c3y h LYS 40 Ca -0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1c3y h LYS 40 Cb 0.82 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1c3y h LYS 40 CO 0.18 0.61 -0.24 0.93 -0.57 0.00 0.00 179.45 180.36 1c3y h GLU 41 N 0.84 -0.63 -0.13 3.15 4.39 -0.86 -2.32 114.58 119.01 1c3y h GLU 41 Ca 0.22 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1c3y h GLU 41 Cb 0.02 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1c3y h GLU 41 CO -0.04 -0.34 -0.28 1.25 -1.16 0.00 0.00 179.01 178.45 1c3y h HIS 42 N -0.90 -0.75 -0.62 4.33 2.76 -0.24 -1.97 115.15 117.77 1c3y h HIS 42 Ca -0.07 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1c3y h HIS 42 Cb 0.59 0.35 -0.07 0.00 1.55 0.00 0.00 27.41 29.83 1c3y h HIS 42 CO 0.00 -0.36 0.24 0.00 -1.30 0.00 0.00 177.93 176.52 1c3y h ALA 43 N 0.55 0.81 -0.74 5.26 0.00 -1.41 -0.65 119.26 123.07 1c3y h ALA 43 Ca 0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1c3y h ALA 43 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1c3y h ALA 43 CO -0.33 -0.17 0.49 0.35 0.00 0.00 0.00 179.25 179.59 1c3y h PHE 44 N 0.43 0.82 0.00 0.00 3.57 -0.85 0.19 116.94 121.11 1c3y h PHE 44 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1c3y h PHE 44 Cb 0.37 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1c3y h PHE 44 CO -0.16 0.45 -0.04 0.00 -2.23 0.00 0.00 178.31 176.34 1c3y n ILE 46 N -3.34 1.64 -0.24 0.00 2.08 0.49 -3.91 119.36 116.07 1c3y n ILE 46 Ca -0.02 -0.72 -0.04 0.00 0.56 0.00 0.00 62.75 62.54 1c3y n ILE 46 Cb 0.17 -1.30 0.07 0.00 -0.75 0.00 0.00 39.64 37.83 1c3y n ILE 46 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1c3y h LEU 47 N 0.03 0.70 -1.53 1.39 -0.00 -0.64 0.74 115.31 115.99 1c3y h LEU 47 Ca -0.42 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.42 1c3y h LEU 47 Cb 2.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 42.54 1c3y h LEU 47 CO 0.05 0.49 -0.18 0.50 -0.00 0.00 0.00 178.44 179.30 1c3y h LYS 48 N 0.83 0.07 0.13 1.13 3.64 -1.65 -2.61 116.57 118.11 1c3y h LYS 48 Ca 0.27 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.33 1c3y h LYS 48 Cb 0.01 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1c3y h LYS 48 CO -0.10 0.25 -1.46 0.00 -2.27 0.00 0.00 179.45 175.87 1c3y h ARG 49 N 0.06 0.28 -0.09 1.90 3.08 -1.34 -3.29 114.38 114.98 1c3y h ARG 49 Ca 0.01 -0.47 0.03 0.00 0.07 0.00 0.00 59.98 59.62 1c3y h ARG 49 Cb 0.37 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1c3y h ARG 49 CO 0.03 1.16 0.06 0.00 -1.07 0.00 0.00 179.97 180.15 1c3y h ALA 50 N 0.49 2.05 -0.06 0.04 0.00 0.80 -3.46 119.26 119.12 1c3y h ALA 50 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1c3y h ALA 50 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1c3y h ALA 50 CO 0.18 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1c3y n GLY 51 N -1.54 1.35 0.34 0.00 0.00 -1.03 -5.01 105.19 99.30 1c3y n GLY 51 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1c3y n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c3y n PHE 52 N -1.88 0.00 -4.28 1.61 3.72 -1.14 -5.00 117.46 110.50 1c3y n PHE 52 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1c3y n PHE 52 Cb 0.18 -0.74 -0.09 0.00 -0.94 0.00 0.00 39.48 37.89 1c3y n PHE 52 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1c3y s ILE 53 N -2.38 4.30 0.56 4.37 2.07 -1.23 -3.83 121.20 125.06 1c3y s ILE 53 Ca -0.29 -0.47 -0.00 0.00 -1.41 0.00 0.00 60.65 58.48 1c3y s ILE 53 Cb 0.11 -2.89 0.03 0.00 0.13 0.00 0.00 42.46 39.84 1c3y s ILE 53 CO 0.37 0.44 0.80 1.51 -1.91 0.00 0.00 174.94 176.15 1c3y s ASP 54 N -1.40 5.29 0.67 4.50 1.47 -1.24 -4.37 116.67 121.59 1c3y s ASP 54 Ca 0.18 0.13 0.33 0.00 1.18 0.00 0.00 52.55 54.37 1c3y s ASP 54 Cb -0.12 -1.02 1.78 0.00 -0.34 0.00 0.00 42.92 43.22 1c3y s ASP 54 CO 0.09 -1.15 2.00 0.00 0.68 0.00 0.00 175.17 176.78 1c3y h ALA 55 N -0.00 1.27 0.00 2.11 0.00 -1.95 0.14 119.26 120.83 1c3y h ALA 55 Ca -0.43 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1c3y h ALA 55 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1c3y h ALA 55 CO 0.54 -0.27 -1.15 0.77 0.00 0.00 0.00 179.25 179.14 1c3y h SER 56 N 0.00 0.00 0.00 0.00 0.02 -2.04 -3.48 113.55 108.04 1c3y h SER 56 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c3y h SER 56 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1c3y h SER 56 CO 0.00 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 1c3y n GLY 57 N 1.33 1.48 3.60 -3.77 0.00 0.48 -4.89 105.19 103.42 1c3y n GLY 57 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1c3y n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c3y s GLU 58 N -0.38 3.82 0.50 1.61 2.12 -1.26 -4.74 118.70 120.37 1c3y s GLU 58 Ca 0.00 0.53 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 1c3y s GLU 58 Cb 0.00 -3.81 -0.06 0.00 0.26 0.00 0.00 34.13 30.52 1c3y s GLU 58 CO 0.00 -0.95 1.19 -0.59 -0.54 0.00 0.00 175.26 174.37 1c3y s PHE 59 N 3.43 2.70 -0.55 5.30 -0.12 -1.26 -3.65 117.98 123.84 1c3y s PHE 59 Ca 0.37 1.51 0.05 0.00 -0.05 0.00 0.00 56.93 58.81 1c3y s PHE 59 Cb -0.12 -3.43 0.18 0.00 -0.63 0.00 0.00 43.02 39.02 1c3y s PHE 59 CO 0.19 -1.78 0.45 1.04 -0.05 0.00 0.00 175.22 175.06 1c3y n GLN 60 N -0.84 1.06 0.20 1.99 6.02 -1.25 -4.93 117.38 119.63 1c3y n GLN 60 Ca 0.09 -3.81 0.07 0.00 -0.01 0.00 0.00 57.00 53.33 1c3y n GLN 60 Cb 0.48 -1.92 0.41 0.00 1.02 0.00 0.00 30.24 30.23 1c3y n GLN 60 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1c3y h LEU 61 N 5.30 0.00 -2.10 1.08 3.38 -1.94 -2.82 115.31 118.20 1c3y h LEU 61 Ca 0.20 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1c3y h LEU 61 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1c3y h LEU 61 CO 0.55 0.33 0.10 -2.24 0.09 0.00 0.00 178.44 177.27 1c3y h ASP 62 N 0.00 0.00 0.28 -0.43 2.03 -2.00 0.27 116.42 116.57 1c3y h ASP 62 Ca -0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.97 1c3y h ASP 62 Cb 0.76 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.21 1c3y h ASP 62 CO 0.04 0.00 -1.97 1.41 -1.03 0.00 0.00 179.24 177.69 1c3y n HIS 63 N -4.30 0.75 0.04 4.15 8.25 -1.10 -3.86 115.22 119.16 1c3y n HIS 63 Ca 0.00 0.24 -0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1c3y n HIS 63 Cb 0.22 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.11 1c3y n HIS 63 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1c3y h ILE 64 N 0.01 1.14 -0.83 1.59 2.04 -1.13 -2.74 117.51 117.59 1c3y h ILE 64 Ca -0.39 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 64.61 1c3y h ILE 64 Cb 2.06 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 39.81 1c3y h ILE 64 CO 0.06 0.23 0.46 0.07 0.00 0.00 0.00 178.15 178.97 1c3y h LYS 65 N -0.58 0.73 -0.47 2.37 2.10 -0.69 -0.54 116.57 119.48 1c3y h LYS 65 Ca -0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1c3y h LYS 65 Cb 0.47 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1c3y h LYS 65 CO 0.02 0.48 0.26 1.15 -2.00 0.00 0.00 179.45 179.36 1c3y h THR 66 N 0.75 1.16 0.28 0.07 2.02 -1.66 0.39 112.91 115.91 1c3y h THR 66 Ca 0.42 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1c3y h THR 66 Cb 0.44 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1c3y h THR 66 CO -0.28 0.17 -0.13 0.11 0.37 0.00 0.00 175.52 175.76 1c3y h LYS 67 N 0.62 -0.36 0.00 6.66 1.57 -0.99 -0.62 116.57 123.45 1c3y h LYS 67 Ca 0.17 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1c3y h LYS 67 Cb 0.04 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1c3y h LYS 67 CO -0.03 -0.14 -0.18 0.74 -0.57 0.00 0.00 179.45 179.27 1c3y h PHE 68 N -0.52 0.00 0.00 -1.35 -1.00 -1.06 -3.30 116.94 109.72 1c3y h PHE 68 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1c3y h PHE 68 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1c3y h PHE 68 CO -0.02 0.18 0.00 1.63 -1.61 0.00 0.00 178.31 178.49 1c3y n LYS 69 N -3.68 0.00 -1.60 1.51 4.76 0.14 -4.57 118.16 114.72 1c3y n LYS 69 Ca -0.01 0.48 -0.48 0.00 -2.87 0.00 0.00 58.31 55.43 1c3y n LYS 69 Cb 0.30 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 1c3y n LYS 69 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1c3y n GLU 70 N -1.95 1.83 -2.34 1.97 -0.00 -0.26 -4.10 120.64 115.80 1c3y n GLU 70 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 57.16 57.76 1c3y n GLU 70 Cb 0.00 -2.74 0.00 0.00 -0.00 0.00 0.00 31.44 28.70 1c3y n GLU 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1c3y n ASN 71 N 8.74 -9.56 -3.34 -1.84 4.13 -1.26 -4.87 115.26 107.26 1c3y n ASN 71 Ca 0.29 1.85 -0.07 0.00 1.68 0.00 0.00 54.58 58.34 1c3y n ASN 71 Cb 0.31 -5.20 0.01 0.00 -1.54 0.00 0.00 39.78 33.36 1c3y n ASN 71 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1c3y s SER 72 N -0.60 -0.10 0.07 6.41 0.01 -1.26 -4.86 113.70 113.39 1c3y s SER 72 Ca 0.00 -0.86 0.05 0.00 1.31 0.00 0.00 55.95 56.45 1c3y s SER 72 Cb 0.00 0.74 -0.23 0.00 0.21 0.00 0.00 66.02 66.74 1c3y s SER 72 CO 0.00 -1.44 1.12 1.05 0.41 0.00 0.00 173.24 174.38 1c3y h GLU 73 N 2.00 0.07 -0.55 12.44 4.11 -1.95 -3.40 114.58 127.29 1c3y h GLU 73 Ca -0.27 -0.12 -0.30 0.00 0.07 0.00 0.00 59.36 58.74 1c3y h GLU 73 Cb 1.24 0.05 -0.23 0.00 0.50 0.00 0.00 28.75 30.31 1c3y h GLU 73 CO 0.33 0.97 -0.67 0.72 0.07 0.00 0.00 179.01 180.43 1c3y n HIS 74 N -3.34 -1.66 -2.53 2.06 8.25 -1.26 -5.13 115.22 111.60 1c3y n HIS 74 Ca -0.06 -2.53 -0.42 0.00 -0.26 0.00 0.00 57.72 54.45 1c3y n HIS 74 Cb 0.98 0.95 -0.03 0.00 1.12 0.00 0.00 29.99 33.01 1c3y n HIS 74 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1c3y s PRO 75 N -0.72 4.52 0.00 -0.41 0.04 -1.26 -4.65 135.00 132.51 1c3y s PRO 75 Ca 0.27 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1c3y s PRO 75 Cb 0.35 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1c3y s PRO 75 CO -0.06 -0.10 0.00 -0.85 0.04 0.00 0.00 177.00 176.04 1c3y n GLU 76 N 3.47 0.00 -0.75 4.56 0.28 -1.26 -4.97 120.64 121.98 1c3y n GLU 76 Ca 0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.12 1c3y n GLU 76 Cb 0.48 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.51 1c3y n GLU 76 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1c3y n LYS 77 N -1.00 1.23 -0.04 3.44 5.02 -1.26 -4.79 118.16 120.76 1c3y n LYS 77 Ca 0.00 -2.97 -0.11 0.00 -2.02 0.00 0.00 58.31 53.21 1c3y n LYS 77 Cb 0.00 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1c3y n LYS 77 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1c3y h VAL 78 N 2.23 1.13 -0.63 -0.18 2.07 -1.93 0.10 116.25 119.04 1c3y h VAL 78 Ca -0.05 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.20 1c3y h VAL 78 Cb 1.18 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 1c3y h VAL 78 CO 0.02 0.13 0.15 -2.24 0.02 0.00 0.00 177.57 175.65 1c3y h ASP 79 N 0.13 0.03 -0.15 0.57 2.03 -1.87 0.86 116.42 118.02 1c3y h ASP 79 Ca 0.06 0.12 -0.19 0.00 -0.73 0.00 0.00 57.03 56.28 1c3y h ASP 79 Cb 0.13 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1c3y h ASP 79 CO -0.01 0.01 -0.61 0.44 -1.03 0.00 0.00 179.24 178.04 1c3y h ASP 80 N 0.28 0.86 -0.46 4.15 3.32 -1.88 -2.86 116.42 119.82 1c3y h ASP 80 Ca 0.34 -0.49 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1c3y h ASP 80 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1c3y h ASP 80 CO -0.42 1.27 0.05 0.25 -1.72 0.00 0.00 179.24 178.67 1c3y h LEU 81 N 0.56 0.76 -0.45 1.55 5.85 0.45 -2.07 115.31 121.96 1c3y h LEU 81 Ca -0.01 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1c3y h LEU 81 Cb 1.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1c3y h LEU 81 CO 0.13 0.85 0.28 0.58 -0.34 0.00 0.00 178.44 179.94 1c3y h VAL 82 N 0.65 1.08 -0.25 1.05 2.07 0.69 0.89 116.25 122.42 1c3y h VAL 82 Ca 0.14 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1c3y h VAL 82 Cb 0.43 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1c3y h VAL 82 CO 0.01 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.82 1c3y h ALA 83 N 1.19 0.32 0.00 1.67 0.00 -1.40 0.86 119.26 121.89 1c3y h ALA 83 Ca 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1c3y h ALA 83 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1c3y h ALA 83 CO -0.06 -0.11 -0.37 -0.22 0.00 0.00 0.00 179.25 178.49 1c3y h LYS 84 N 0.26 0.00 0.09 0.00 3.64 -1.15 -3.18 116.57 116.23 1c3y h LYS 84 Ca 0.08 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.22 1c3y h LYS 84 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1c3y h LYS 84 CO -0.01 0.37 -1.29 0.00 -2.27 0.00 0.00 179.45 176.25 1c3y n ALA 86 N -3.01 4.37 -1.82 0.00 0.00 0.30 -4.44 120.51 115.91 1c3y n ALA 86 Ca -0.25 -1.19 -0.41 0.00 0.00 0.00 0.00 53.44 51.59 1c3y n ALA 86 Cb 0.83 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1c3y n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c3y s VAL 87 N -1.54 2.53 0.08 0.00 0.11 -1.20 -4.93 120.40 115.44 1c3y s VAL 87 Ca 0.23 0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 59.44 1c3y s VAL 87 Cb 0.18 -3.30 -0.07 0.00 -1.53 0.00 0.00 36.38 31.66 1c3y s VAL 87 CO 0.01 0.09 1.40 -1.59 -3.33 0.00 0.00 175.10 171.69 1c3y s LYS 88 N -1.05 4.31 0.00 1.54 -2.85 -1.26 -4.87 119.74 115.55 1c3y s LYS 88 Ca 0.56 2.05 0.00 0.00 -1.00 0.00 0.00 55.97 57.57 1c3y s LYS 88 Cb -0.43 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 31.98 1c3y s LYS 88 CO 0.49 -0.48 0.00 1.63 0.10 0.00 0.00 175.35 177.09 1c3y n LYS 89 N 4.44 0.00 0.02 1.78 4.01 -1.26 -5.08 118.16 122.07 1c3y n LYS 89 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1c3y n LYS 89 Cb 0.43 -0.38 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 1c3y n LYS 89 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c3y n ASP 90 N -2.49 -0.37 -4.89 4.39 5.75 -1.26 -5.13 116.55 112.55 1c3y n ASP 90 Ca 0.00 0.16 -0.34 0.00 -0.01 0.00 0.00 54.79 54.60 1c3y n ASP 90 Cb 0.00 0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 1c3y n ASP 90 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1c3y s THR 91 N -2.00 5.40 0.10 2.12 -4.23 -1.26 -5.02 115.64 110.74 1c3y s THR 91 Ca 0.00 -0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.23 1c3y s THR 91 Cb 0.00 -3.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.25 1c3y s THR 91 CO 0.00 0.36 1.41 1.55 -0.54 0.00 0.00 174.62 177.40 1c3y h PRO 92 N 3.98 0.71 0.00 3.99 0.13 -1.90 -2.87 132.00 136.03 1c3y h PRO 92 Ca -0.50 -0.39 -0.00 0.00 -0.87 0.00 0.00 66.00 64.24 1c3y h PRO 92 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c3y h PRO 92 CO 0.67 1.00 -0.02 -0.56 -0.23 0.00 0.00 178.00 178.87 1c3y h GLN 93 N 0.44 0.00 0.28 0.86 3.07 -1.95 -2.44 115.11 115.37 1c3y h GLN 93 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.77 1c3y h GLN 93 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1c3y h GLN 93 CO 0.08 0.02 -0.13 1.25 0.09 0.00 0.00 178.83 180.13 1c3y h HIS 94 N 0.00 -0.35 -1.08 0.06 2.76 -1.81 -3.27 115.15 111.46 1c3y h HIS 94 Ca -0.00 -0.01 0.30 0.00 -2.20 0.00 0.00 60.37 58.46 1c3y h HIS 94 Cb 0.12 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.09 1c3y h HIS 94 CO 0.00 -0.22 0.70 0.66 -1.30 0.00 0.00 177.93 177.77 1c3y h SER 95 N -0.85 0.41 -0.62 3.26 4.64 -1.43 0.36 113.55 119.31 1c3y h SER 95 Ca -0.04 0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1c3y h SER 95 Cb 0.29 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1c3y h SER 95 CO 0.06 0.04 0.41 0.77 -0.87 0.00 0.00 176.83 177.24 1c3y h SER 96 N 0.33 0.41 0.16 4.97 4.64 -1.50 0.45 113.55 123.02 1c3y h SER 96 Ca 0.63 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.95 1c3y h SER 96 Cb 1.69 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1c3y h SER 96 CO -0.32 0.25 -0.08 0.00 -0.87 0.00 0.00 176.83 175.81 1c3y h ALA 97 N 1.68 -1.05 -0.25 5.18 0.00 -0.33 -0.29 119.26 124.20 1c3y h ALA 97 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1c3y h ALA 97 Cb 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1c3y h ALA 97 CO -0.08 -1.04 0.14 -0.44 0.00 0.00 0.00 179.25 177.83 1c3y h ASP 98 N -0.22 0.29 0.11 0.00 5.19 -1.61 -0.14 116.42 120.04 1c3y h ASP 98 Ca -0.02 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1c3y h ASP 98 Cb 0.17 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1c3y h ASP 98 CO 0.04 0.23 -0.06 0.15 -3.12 0.00 0.00 179.24 176.48 1c3y h PHE 99 N 0.34 0.00 -1.51 4.55 3.57 0.02 0.79 116.94 124.69 1c3y h PHE 99 Ca 0.09 0.00 -0.69 0.00 3.53 0.00 0.00 57.97 60.90 1c3y h PHE 99 Cb -0.00 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 38.41 1c3y h PHE 99 CO 0.00 0.06 0.44 0.34 -2.23 0.00 0.00 178.31 176.91 1c3y n PHE 100 N -3.98 3.11 0.00 0.41 7.35 -0.07 -4.43 117.46 119.84 1c3y n PHE 100 Ca -0.03 -2.65 0.00 0.00 -0.76 0.00 0.00 57.45 54.01 1c3y n PHE 100 Cb 0.14 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.04 1c3y n PHE 100 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1c3y n LYS 101 N -0.64 0.00 -0.14 -4.13 2.85 -0.95 -4.94 118.16 110.21 1c3y n LYS 101 Ca 0.52 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.97 1c3y n LYS 101 Cb 0.51 0.00 0.57 0.00 -0.65 0.00 0.00 35.03 35.46 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c3y h VAL 103 N 0.27 1.13 -0.40 0.00 -1.51 -1.78 -3.04 116.25 110.94 1c3y h VAL 103 Ca 0.37 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 1c3y h VAL 103 Cb 1.05 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 1c3y h VAL 103 CO -0.09 0.55 0.00 1.41 -1.23 0.00 0.00 177.57 178.21 1c3y n HIS 104 N -3.48 1.38 -3.06 5.19 8.25 0.15 -4.38 115.22 119.27 1c3y n HIS 104 Ca 0.00 -0.48 -0.24 0.00 -0.26 0.00 0.00 57.72 56.74 1c3y n HIS 104 Cb 0.66 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 1c3y n HIS 104 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1c3y n ASP 105 N 0.45 3.01 -4.63 0.41 8.00 -0.93 -4.97 116.55 117.89 1c3y n ASP 105 Ca 0.19 -3.40 -0.40 0.00 0.71 0.00 0.00 54.79 51.88 1c3y n ASP 105 Cb 0.87 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1c3y n ASP 105 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1c3y s ASN 106 N -3.00 6.51 -0.02 -2.24 0.01 -1.26 -4.98 114.94 109.96 1c3y s ASN 106 Ca 0.45 0.62 -0.00 0.00 -0.71 0.00 0.00 52.86 53.22 1c3y s ASN 106 Cb 0.30 -2.30 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 1c3y s ASN 106 CO -0.11 -0.28 -0.01 0.03 -1.51 0.00 0.00 177.10 175.22 1c3y h ARG 107 N 7.82 0.00 -0.01 -0.60 3.08 -1.97 -3.55 114.38 119.16 1c3y h ARG 107 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1c3y h ARG 107 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1c3y h ARG 107 CO 0.74 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 180.09