#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3y n THR 2 N 0.00 2.65 0.15 6.31 -1.04 -1.26 -4.88 114.28 116.22 1c3y n THR 2 Ca 0.00 -5.11 0.01 0.00 -2.04 0.00 0.00 64.05 56.92 1c3y n THR 2 Cb 0.00 -2.27 0.21 0.00 -1.82 0.00 0.00 70.33 66.45 1c3y n THR 2 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1c3y h PRO 3 N 5.52 0.00 -3.72 -2.82 0.13 -2.13 -3.47 132.00 125.52 1c3y h PRO 3 Ca 0.17 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.89 1c3y h PRO 3 Cb 0.76 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.91 1c3y h PRO 3 CO 0.84 0.55 -0.56 -2.13 -0.23 0.00 0.00 178.00 176.46 1c3y n ARG 4 N -3.64 -3.40 -3.20 0.86 0.63 -1.26 -4.93 116.66 101.72 1c3y n ARG 4 Ca -0.01 0.94 -0.46 0.00 -0.92 0.00 0.00 57.85 57.40 1c3y n ARG 4 Cb 0.60 -5.67 -0.03 0.00 0.45 0.00 0.00 32.46 27.81 1c3y n ARG 4 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1c3y s GLU 5 N -5.38 3.45 -0.19 -0.14 2.12 -1.26 -4.81 118.70 112.49 1c3y s GLU 5 Ca 0.17 -2.05 0.13 0.00 0.36 0.00 0.00 54.97 53.58 1c3y s GLU 5 Cb -0.07 -4.50 0.43 0.00 0.26 0.00 0.00 34.13 30.25 1c3y s GLU 5 CO 0.20 -1.44 1.20 1.63 -0.54 0.00 0.00 175.26 176.32 1c3y n LYS 6 N 5.06 1.63 -1.12 4.30 5.02 -1.26 -4.72 118.16 127.07 1c3y n LYS 6 Ca 0.09 -3.24 -0.16 0.00 -2.02 0.00 0.00 58.31 52.99 1c3y n LYS 6 Cb 0.46 -1.46 0.16 0.00 -0.02 0.00 0.00 35.03 34.17 1c3y n LYS 6 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1c3y n LEU 7 N -0.80 5.50 -1.77 -0.35 -0.00 -1.26 -4.40 117.00 113.92 1c3y n LEU 7 Ca 0.20 -3.89 0.02 0.00 -0.00 0.00 0.00 56.01 52.35 1c3y n LEU 7 Cb 0.80 -0.72 0.04 0.00 -0.00 0.00 0.00 43.42 43.54 1c3y n LEU 7 CO 0.03 1.31 0.07 0.29 -0.00 0.00 0.00 177.39 179.08 1c3y n LYS 8 N -1.07 0.65 -3.75 1.47 5.02 -1.26 -4.84 118.16 114.37 1c3y n LYS 8 Ca 0.47 -2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 54.10 1c3y n LYS 8 Cb 1.18 -0.59 -0.12 0.00 -0.02 0.00 0.00 35.03 35.48 1c3y n LYS 8 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1c3y s GLN 9 N -1.29 0.26 0.00 1.97 0.74 -1.26 -4.83 119.66 115.24 1c3y s GLN 9 Ca 0.33 0.46 0.00 0.00 0.05 0.00 0.00 55.36 56.20 1c3y s GLN 9 Cb 0.37 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.49 1c3y s GLN 9 CO -0.12 -0.10 0.00 1.58 -0.55 0.00 0.00 175.29 176.09 1c3y n HIS 10 N 3.61 0.00 0.22 1.67 -0.00 -1.26 -4.21 115.22 115.25 1c3y n HIS 10 Ca -0.19 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.17 1c3y n HIS 10 Cb 0.56 0.00 0.83 0.00 -0.12 0.00 0.00 29.99 31.26 1c3y n HIS 10 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1c3y h SER 11 N 0.00 0.00 -0.76 0.26 0.02 -1.93 -1.22 113.55 109.92 1c3y h SER 11 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1c3y h SER 11 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1c3y h SER 11 CO 0.00 0.00 0.43 -2.24 -1.14 0.00 0.00 176.83 173.88 1c3y h ASP 12 N 0.00 0.62 1.01 3.07 2.03 -1.89 0.62 116.42 121.88 1c3y h ASP 12 Ca 0.09 0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.38 1c3y h ASP 12 Cb 0.68 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1c3y h ASP 12 CO -0.00 0.38 -0.22 0.00 -1.03 0.00 0.00 179.24 178.37 1c3y h ALA 13 N 1.40 1.00 0.00 4.15 0.00 -1.59 -2.79 119.26 121.43 1c3y h ALA 13 Ca 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1c3y h ALA 13 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1c3y h ALA 13 CO -0.22 0.27 -0.10 0.00 0.00 0.00 0.00 179.25 179.21 1c3y h LYS 15 N 0.00 0.00 0.00 0.00 3.64 -1.05 -2.38 116.57 116.78 1c3y h LYS 15 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1c3y h LYS 15 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1c3y h LYS 15 CO 0.01 0.14 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 1c3y n ALA 16 N -2.15 -0.12 -0.07 5.00 0.00 -1.14 -3.74 120.51 118.30 1c3y n ALA 16 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1c3y n ALA 16 Cb 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1c3y n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c3y h GLU 17 N 0.00 0.00 -3.74 0.00 4.81 -1.75 -3.38 114.58 110.52 1c3y h GLU 17 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 1c3y h GLU 17 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1c3y h GLU 17 CO 0.00 0.44 2.97 0.43 -0.73 0.00 0.00 179.01 182.12 1c3y n SER 18 N -4.66 4.95 -2.22 1.04 7.64 -0.89 -4.62 113.62 114.86 1c3y n SER 18 Ca -0.08 -2.61 -0.30 0.00 1.01 0.00 0.00 58.87 56.89 1c3y n SER 18 Cb 0.28 -1.36 0.07 0.00 -1.01 0.00 0.00 64.21 62.19 1c3y n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c3y n GLY 19 N 4.00 5.40 3.72 0.23 0.00 -1.24 -4.12 105.19 113.17 1c3y n GLY 19 Ca 0.56 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1c3y n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1c3y n VAL 20 N -0.61 1.74 -1.08 1.61 3.14 -1.26 -4.89 118.33 116.97 1c3y n VAL 20 Ca 0.55 -0.43 -0.23 0.00 -2.96 0.00 0.00 64.34 61.26 1c3y n VAL 20 Cb 0.66 -1.69 0.15 0.00 -1.06 0.00 0.00 33.84 31.90 1c3y n VAL 20 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1c3y n SER 21 N 1.05 4.21 -2.42 6.55 3.41 -1.26 -4.86 113.62 120.30 1c3y n SER 21 Ca 0.05 -3.51 -0.20 0.00 -0.26 0.00 0.00 58.87 54.95 1c3y n SER 21 Cb 0.36 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.98 -1.84 -0.08 4.33 4.71 -1.26 -4.88 120.64 120.63 1c3y n GLU 22 Ca 0.56 0.96 -0.15 0.00 -0.01 0.00 0.00 57.16 58.51 1c3y n GLU 22 Cb 1.46 -5.63 -0.12 0.00 -1.01 0.00 0.00 31.44 26.14 1c3y n GLU 22 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1c3y h GLU 23 N -0.04 0.00 -0.07 3.49 4.81 -1.99 -3.18 114.58 117.59 1c3y h GLU 23 Ca -0.47 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1c3y h GLU 23 Cb 1.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1c3y h GLU 23 CO 0.56 0.94 -0.52 0.77 -0.73 0.00 0.00 179.01 180.03 1c3y h SER 24 N -1.00 0.22 -0.73 1.04 0.02 -1.99 -3.05 113.55 108.05 1c3y h SER 24 Ca -0.10 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1c3y h SER 24 Cb 1.03 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1c3y h SER 24 CO -0.06 0.70 0.49 -0.07 -1.14 0.00 0.00 176.83 176.75 1c3y h LEU 25 N 0.16 0.84 -1.50 5.07 -0.00 -1.96 -1.52 115.31 116.39 1c3y h LEU 25 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1c3y h LEU 25 Cb 0.97 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1c3y h LEU 25 CO 0.08 0.61 0.09 0.78 -0.00 0.00 0.00 178.44 180.00 1c3y h ASN 26 N 1.00 0.38 0.55 -0.43 2.35 -1.51 -1.18 115.58 116.74 1c3y h ASN 26 Ca 0.27 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 1c3y h ASN 26 Cb -0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1c3y h ASN 26 CO -0.06 0.37 -0.39 0.11 -1.65 0.00 0.00 177.43 175.82 1c3y h LYS 27 N 0.42 0.00 -0.06 0.81 1.57 -1.26 -2.68 116.57 115.37 1c3y h LYS 27 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1c3y h LYS 27 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1c3y h LYS 27 CO -0.01 0.39 -0.02 0.28 -0.57 0.00 0.00 179.45 179.52 1c3y h VAL 28 N 0.00 1.06 -0.41 0.50 2.07 -0.61 -1.43 116.25 117.43 1c3y h VAL 28 Ca -0.00 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1c3y h VAL 28 Cb 0.77 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1c3y h VAL 28 CO 0.05 0.07 0.28 0.03 0.02 0.00 0.00 177.57 178.03 1c3y h ARG 29 N 0.08 0.15 -6.17 1.57 2.47 -1.49 -3.42 114.38 107.57 1c3y h ARG 29 Ca 0.02 -0.01 -0.56 0.00 -1.26 0.00 0.00 59.98 58.17 1c3y h ARG 29 Cb 0.10 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 1c3y h ARG 29 CO 0.00 0.10 -0.54 -0.80 0.56 0.00 0.00 179.97 179.29 1c3y s ASN 30 N -6.47 5.67 -1.19 7.04 -0.87 -0.54 -5.01 114.94 113.57 1c3y s ASN 30 Ca -0.06 -0.09 -0.19 0.00 -1.57 0.00 0.00 52.86 50.95 1c3y s ASN 30 Cb 0.19 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.25 39.87 1c3y s ASN 30 CO 0.72 0.05 1.96 0.54 -2.57 0.00 0.00 177.10 177.81 1c3y n ARG 31 N -0.48 2.35 -0.05 -0.60 1.74 -1.26 -4.35 116.66 114.01 1c3y n ARG 31 Ca -0.08 -2.57 -0.05 0.00 -0.77 0.00 0.00 57.85 54.38 1c3y n ARG 31 Cb 0.55 -3.34 -0.08 0.00 -1.02 0.00 0.00 32.46 28.56 1c3y n ARG 31 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1c3y n GLU 32 N 7.37 2.28 -2.60 5.56 1.02 -1.26 -5.08 120.64 127.93 1c3y n GLU 32 Ca 0.49 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.58 1c3y n GLU 32 Cb 0.43 -1.27 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1c3y n GLU 32 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1c3y n GLU 33 N -2.38 -2.31 -4.45 3.49 2.13 -1.26 -5.06 120.64 110.80 1c3y n GLU 33 Ca -0.17 2.05 -0.23 0.00 0.66 0.00 0.00 57.16 59.47 1c3y n GLU 33 Cb 0.83 -4.94 -0.10 0.00 0.27 0.00 0.00 31.44 27.51 1c3y n GLU 33 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1c3y s VAL 34 N -2.06 2.36 -0.27 6.31 0.11 -1.26 -5.13 120.40 120.46 1c3y s VAL 34 Ca 0.15 -2.38 -0.00 0.00 -2.93 0.00 0.00 61.98 56.81 1c3y s VAL 34 Cb -0.04 -2.26 0.14 0.00 -1.53 0.00 0.00 36.38 32.69 1c3y s VAL 34 CO 0.65 -0.43 0.33 1.51 -3.33 0.00 0.00 175.10 173.83 1c3y s ASP 35 N -3.48 1.07 0.34 3.54 -4.77 -1.26 -5.07 116.67 107.05 1c3y s ASP 35 Ca 0.29 -0.45 0.08 0.00 -3.30 0.00 0.00 52.55 49.17 1c3y s ASP 35 Cb -0.04 0.75 -0.04 0.00 -1.09 0.00 0.00 42.92 42.50 1c3y s ASP 35 CO 0.14 -0.36 0.17 -1.81 0.70 0.00 0.00 175.17 174.00 1c3y s ASP 36 N 2.44 4.79 -0.03 2.11 1.11 -1.26 -5.06 116.67 120.77 1c3y s ASP 36 Ca 0.10 -0.72 -0.19 0.00 0.18 0.00 0.00 52.55 51.92 1c3y s ASP 36 Cb -0.14 -0.78 -0.12 0.00 1.07 0.00 0.00 42.92 42.95 1c3y s ASP 36 CO -0.28 -0.30 0.83 1.55 1.18 0.00 0.00 175.17 178.16 1c3y h PRO 37 N 1.50 -0.49 -0.35 8.23 0.13 -2.01 -2.83 132.00 136.18 1c3y h PRO 37 Ca -0.44 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.83 1c3y h PRO 37 Cb 1.25 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1c3y h PRO 37 CO 0.62 -0.21 0.25 0.87 -0.23 0.00 0.00 178.00 179.30 1c3y h LYS 38 N -1.04 0.00 0.43 0.86 1.57 -1.96 0.61 116.57 117.04 1c3y h LYS 38 Ca -0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1c3y h LYS 38 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1c3y h LYS 38 CO 0.08 0.00 -0.21 1.25 -0.57 0.00 0.00 179.45 180.01 1c3y h LEU 39 N 0.00 -0.49 -0.75 2.94 6.46 -1.96 0.44 115.31 121.95 1c3y h LEU 39 Ca 0.17 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1c3y h LEU 39 Cb 0.67 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 1c3y h LEU 39 CO -0.00 -0.16 0.33 0.11 -0.62 0.00 0.00 178.44 178.09 1c3y h LYS 40 N -0.84 1.10 0.48 1.25 1.57 -1.16 -1.55 116.57 117.43 1c3y h LYS 40 Ca -0.06 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1c3y h LYS 40 Cb 0.56 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1c3y h LYS 40 CO 0.10 0.88 -0.23 0.93 -0.57 0.00 0.00 179.45 180.56 1c3y h GLU 41 N 1.07 -0.62 -0.71 3.15 5.08 -0.87 -3.03 114.58 118.65 1c3y h GLU 41 Ca 0.25 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.79 1c3y h GLU 41 Cb 0.17 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1c3y h GLU 41 CO -0.03 -0.34 0.25 1.25 -1.00 0.00 0.00 179.01 179.14 1c3y h HIS 42 N -0.82 0.41 -0.60 4.33 2.76 -0.03 -1.65 115.15 119.55 1c3y h HIS 42 Ca -0.07 0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.26 1c3y h HIS 42 Cb 0.57 -0.07 -0.10 0.00 1.55 0.00 0.00 27.41 29.36 1c3y h HIS 42 CO -0.01 0.03 0.06 0.00 -1.30 0.00 0.00 177.93 176.71 1c3y h ALA 43 N 1.53 0.65 -0.52 5.26 0.00 -1.22 0.12 119.26 125.08 1c3y h ALA 43 Ca 0.39 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.54 1c3y h ALA 43 Cb 0.58 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1c3y h ALA 43 CO -0.41 -0.36 0.35 0.35 0.00 0.00 0.00 179.25 179.18 1c3y h PHE 44 N 0.18 0.38 -0.33 0.00 3.57 -1.18 0.29 116.94 119.85 1c3y h PHE 44 Ca 0.32 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1c3y h PHE 44 Cb 0.50 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1c3y h PHE 44 CO -0.31 0.19 -0.05 0.00 -2.23 0.00 0.00 178.31 175.92 1c3y h ILE 46 N 0.39 1.39 0.21 0.00 5.03 -0.86 -1.79 117.51 121.88 1c3y h ILE 46 Ca 0.09 -2.45 -0.00 0.00 -0.12 0.00 0.00 64.86 62.37 1c3y h ILE 46 Cb 0.52 2.36 -0.01 0.00 -3.03 0.00 0.00 36.82 36.67 1c3y h ILE 46 CO 0.03 0.68 -0.14 0.25 -0.68 0.00 0.00 178.15 178.28 1c3y h LEU 47 N 0.00 -0.36 -0.27 1.44 6.46 -0.30 0.84 115.31 123.12 1c3y h LEU 47 Ca -0.01 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1c3y h LEU 47 Cb 1.31 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 1c3y h LEU 47 CO 0.09 -0.23 -0.09 0.11 -0.62 0.00 0.00 178.44 177.70 1c3y h LYS 48 N -0.35 0.54 -0.44 1.25 1.57 -1.48 -1.22 116.57 116.44 1c3y h LYS 48 Ca -0.02 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1c3y h LYS 48 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1c3y h LYS 48 CO 0.01 0.77 0.29 0.00 -0.57 0.00 0.00 179.45 179.94 1c3y h ARG 49 N 0.29 0.58 -0.05 3.15 2.47 -1.15 -1.58 114.38 118.08 1c3y h ARG 49 Ca 0.06 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1c3y h ARG 49 Cb 0.59 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1c3y h ARG 49 CO 0.03 0.39 0.06 0.00 0.56 0.00 0.00 179.97 181.01 1c3y h ALA 50 N 1.16 1.63 -0.07 0.04 0.00 0.74 -3.45 119.26 119.30 1c3y h ALA 50 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1c3y h ALA 50 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1c3y h ALA 50 CO -0.03 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1c3y n GLY 51 N -1.36 1.43 0.00 0.00 0.00 -0.60 -5.04 105.19 99.63 1c3y n GLY 51 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.40 0.00 -3.53 1.61 3.72 -0.48 -5.00 117.46 112.38 1c3y n PHE 52 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1c3y n PHE 52 Cb 0.12 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.90 5.04 0.57 4.37 2.07 -1.19 -4.38 121.20 126.78 1c3y s ILE 53 Ca 0.00 0.42 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 1c3y s ILE 53 Cb 0.00 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.97 1c3y s ILE 53 CO 0.00 0.17 0.81 1.51 -1.91 0.00 0.00 174.94 175.52 1c3y s ASP 54 N -2.00 5.30 0.61 4.50 1.47 -1.25 -4.09 116.67 121.21 1c3y s ASP 54 Ca 0.38 0.18 0.30 0.00 1.18 0.00 0.00 52.55 54.58 1c3y s ASP 54 Cb -0.13 -1.08 1.63 0.00 -0.34 0.00 0.00 42.92 42.99 1c3y s ASP 54 CO 0.20 -1.15 1.90 0.00 0.68 0.00 0.00 175.17 176.81 1c3y h ALA 55 N -0.02 1.25 0.00 2.11 0.00 -1.97 0.12 119.26 120.75 1c3y h ALA 55 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1c3y h ALA 55 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1c3y h ALA 55 CO 0.55 -0.25 -1.28 0.66 0.00 0.00 0.00 179.25 178.93 1c3y h SER 56 N 0.00 0.00 0.00 0.00 4.64 -2.04 -3.48 113.55 112.67 1c3y h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c3y h SER 56 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1c3y h SER 56 CO 0.00 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1c3y n GLY 57 N 1.39 1.92 3.58 -0.77 0.00 0.42 -4.90 105.19 106.82 1c3y n GLY 57 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 3.58 -0.38 1.61 2.12 -1.26 -4.77 118.70 118.84 1c3y s GLU 58 Ca 0.00 0.31 -0.28 0.00 0.36 0.00 0.00 54.97 55.36 1c3y s GLU 58 Cb 0.00 -3.96 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1c3y s GLU 58 CO 0.00 -1.47 1.89 -0.59 -0.54 0.00 0.00 175.26 174.54 1c3y s PHE 59 N 4.47 1.68 -1.11 5.30 -0.12 -1.26 -3.96 117.98 122.97 1c3y s PHE 59 Ca 0.43 0.71 -0.07 0.00 -0.05 0.00 0.00 56.93 57.95 1c3y s PHE 59 Cb -0.08 -4.07 0.28 0.00 -0.63 0.00 0.00 43.02 38.52 1c3y s PHE 59 CO 0.28 -2.91 1.36 1.04 -0.05 0.00 0.00 175.22 174.93 1c3y n GLN 60 N 8.63 4.00 0.20 1.99 6.02 -1.26 -4.77 117.38 132.18 1c3y n GLN 60 Ca 0.24 -4.43 0.08 0.00 -0.01 0.00 0.00 57.00 52.88 1c3y n GLN 60 Cb 0.48 -2.58 0.28 0.00 1.02 0.00 0.00 30.24 29.45 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 6.27 0.00 -1.91 1.08 -0.00 -1.93 -3.00 115.31 115.82 1c3y h LEU 61 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1c3y h LEU 61 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1c3y h LEU 61 CO 1.22 0.28 -0.06 -0.78 -0.00 0.00 0.00 178.44 179.10 1c3y h ASP 62 N 0.00 0.00 0.49 -0.43 3.58 -2.00 -0.05 116.42 118.01 1c3y h ASP 62 Ca -0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 1c3y h ASP 62 Cb 0.98 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 1c3y h ASP 62 CO 0.04 0.06 -1.68 0.45 -2.88 0.00 0.00 179.24 175.23 1c3y h HIS 63 N 0.00 0.06 0.18 0.28 3.86 -1.95 -3.31 115.15 114.27 1c3y h HIS 63 Ca -0.00 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1c3y h HIS 63 Cb 0.10 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1c3y h HIS 63 CO 0.00 1.08 -0.09 0.82 0.86 0.00 0.00 177.93 180.61 1c3y h ILE 64 N 0.01 0.94 -0.64 2.45 2.04 -1.26 -2.45 117.51 118.59 1c3y h ILE 64 Ca -0.28 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 64.97 1c3y h ILE 64 Cb 2.00 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 39.36 1c3y h ILE 64 CO 0.09 0.16 0.21 0.07 0.00 0.00 0.00 178.15 178.68 1c3y h LYS 65 N -0.61 0.35 -0.68 2.37 2.10 -1.21 0.08 116.57 118.98 1c3y h LYS 65 Ca -0.02 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1c3y h LYS 65 Cb 0.45 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.67 1c3y h LYS 65 CO 0.04 0.23 0.43 1.15 -2.00 0.00 0.00 179.45 179.30 1c3y h THR 66 N 0.36 1.18 -0.75 0.07 2.02 -1.63 -1.46 112.91 112.71 1c3y h THR 66 Ca 0.33 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1c3y h THR 66 Cb 0.46 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1c3y h THR 66 CO -0.36 0.19 0.26 0.11 0.37 0.00 0.00 175.52 176.08 1c3y h LYS 67 N 0.93 1.15 -0.03 6.66 1.79 -0.50 0.84 116.57 127.40 1c3y h LYS 67 Ca 0.25 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1c3y h LYS 67 Cb -0.07 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.41 1c3y h LYS 67 CO -0.05 0.96 -0.01 0.74 -1.08 0.00 0.00 179.45 180.01 1c3y h PHE 68 N 1.11 0.06 0.00 -1.35 0.04 -0.63 -2.95 116.94 113.22 1c3y h PHE 68 Ca 0.24 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1c3y h PHE 68 Cb 0.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1c3y h PHE 68 CO 0.02 0.44 0.00 0.36 -0.60 0.00 0.00 178.31 178.53 1c3y n LYS 69 N -4.85 1.00 -0.30 1.51 2.85 -0.62 -4.14 118.16 113.61 1c3y n LYS 69 Ca -0.08 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.31 1c3y n LYS 69 Cb 0.22 -1.21 0.30 0.00 -0.65 0.00 0.00 35.03 33.69 1c3y n LYS 69 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1c3y h GLU 70 N 0.00 0.35 -2.25 -1.58 4.11 -0.65 -3.39 114.58 111.17 1c3y h GLU 70 Ca 0.00 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 1c3y h GLU 70 Cb 0.00 -0.08 -0.30 0.00 0.50 0.00 0.00 28.75 28.87 1c3y h GLU 70 CO 0.00 0.23 -0.48 -0.80 0.07 0.00 0.00 179.01 178.03 1c3y s ASN 71 N -5.16 0.29 0.36 3.06 0.01 -1.26 -5.10 114.94 107.13 1c3y s ASN 71 Ca -0.12 0.40 -0.16 0.00 -0.71 0.00 0.00 52.86 52.26 1c3y s ASN 71 Cb 0.25 1.01 0.06 0.00 0.41 0.00 0.00 41.25 42.99 1c3y s ASN 71 CO 0.78 -0.28 0.85 -0.55 -1.51 0.00 0.00 177.10 176.38 1c3y s SER 72 N 2.51 0.03 0.14 -1.22 0.15 -1.26 -5.04 113.70 109.01 1c3y s SER 72 Ca 0.07 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.66 1c3y s SER 72 Cb -0.14 0.80 -0.13 0.00 -1.71 0.00 0.00 66.02 64.83 1c3y s SER 72 CO -0.14 -1.59 1.31 -0.33 1.20 0.00 0.00 173.24 173.69 1c3y h GLU 73 N 2.00 0.07 -1.88 5.44 4.39 -2.00 -3.41 114.58 119.19 1c3y h GLU 73 Ca -0.33 -0.10 -0.40 0.00 0.34 0.00 0.00 59.36 58.87 1c3y h GLU 73 Cb 1.24 0.04 -0.30 0.00 -0.10 0.00 0.00 28.75 29.63 1c3y h GLU 73 CO 0.41 0.99 -0.74 -3.38 -1.16 0.00 0.00 179.01 175.13 1c3y s HIS 74 N -2.87 -0.13 -1.03 4.33 -3.43 -1.26 -5.08 115.29 105.82 1c3y s HIS 74 Ca -0.01 -1.27 -0.23 0.00 -0.80 0.00 0.00 55.06 52.75 1c3y s HIS 74 Cb 0.10 -0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 30.80 1c3y s HIS 74 CO 0.83 -0.99 1.85 -1.25 -2.00 0.00 0.00 174.74 173.17 1c3y s PRO 75 N 0.85 2.83 -0.32 -0.38 0.04 -1.26 -4.49 135.00 132.27 1c3y s PRO 75 Ca 0.25 -0.81 0.03 0.00 0.04 0.00 0.00 61.00 60.51 1c3y s PRO 75 Cb -0.06 -5.20 0.32 0.00 0.04 0.00 0.00 34.50 29.60 1c3y s PRO 75 CO -0.08 -3.26 1.39 -0.85 0.04 0.00 0.00 177.00 174.23 1c3y n GLU 76 N 8.67 0.10 0.00 4.56 0.28 -1.26 -5.02 120.64 127.97 1c3y n GLU 76 Ca 0.41 -0.65 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1c3y n GLU 76 Cb 0.47 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 33.22 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 0.72 0.00 -0.07 3.44 5.02 -1.26 -4.94 118.16 121.07 1c3y n LYS 77 Ca -0.05 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.30 1c3y n LYS 77 Cb 0.75 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 36.17 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 0.00 1.06 -0.57 -0.18 2.07 -1.92 -2.35 116.25 114.36 1c3y h VAL 78 Ca 0.00 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1c3y h VAL 78 Cb 0.00 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 1c3y h VAL 78 CO 0.00 0.11 0.06 -2.24 0.02 0.00 0.00 177.57 175.52 1c3y h ASP 79 N 0.61 -0.12 -0.24 0.57 2.03 -1.92 0.61 116.42 117.96 1c3y h ASP 79 Ca 0.22 0.12 -0.13 0.00 -0.73 0.00 0.00 57.03 56.51 1c3y h ASP 79 Cb 0.10 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1c3y h ASP 79 CO -0.06 -0.04 -0.29 -0.78 -1.03 0.00 0.00 179.24 177.04 1c3y h ASP 80 N 0.18 0.76 -0.63 4.15 3.58 -1.82 -2.72 116.42 119.93 1c3y h ASP 80 Ca 0.30 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1c3y h ASP 80 Cb 0.46 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1c3y h ASP 80 CO -0.43 1.01 0.16 0.25 -2.88 0.00 0.00 179.24 177.34 1c3y h LEU 81 N 0.63 0.95 -0.56 2.28 5.85 -0.70 -1.91 115.31 121.85 1c3y h LEU 81 Ca 0.08 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1c3y h LEU 81 Cb 0.81 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1c3y h LEU 81 CO 0.07 0.93 0.32 0.58 -0.34 0.00 0.00 178.44 179.99 1c3y h VAL 82 N 0.92 1.18 0.05 1.05 2.07 0.26 0.58 116.25 122.37 1c3y h VAL 82 Ca 0.20 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1c3y h VAL 82 Cb 0.34 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1c3y h VAL 82 CO 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 1c3y h ALA 83 N 1.15 -0.07 0.00 1.67 0.00 -1.28 0.96 119.26 121.68 1c3y h ALA 83 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1c3y h ALA 83 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1c3y h ALA 83 CO -0.03 -0.50 -0.33 -0.22 0.00 0.00 0.00 179.25 178.17 1c3y h LYS 84 N -0.15 0.00 0.13 0.00 3.11 -1.19 -3.27 116.57 115.20 1c3y h LYS 84 Ca -0.01 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.47 1c3y h LYS 84 Cb 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1c3y h LYS 84 CO 0.01 0.33 -1.94 0.00 -2.81 0.00 0.00 179.45 175.04 1c3y n ALA 86 N -2.95 6.14 -1.81 0.00 0.00 0.33 -4.41 120.51 117.82 1c3y n ALA 86 Ca -0.30 -2.19 -0.42 0.00 0.00 0.00 0.00 53.44 50.53 1c3y n ALA 86 Cb 1.05 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1c3y n ALA 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1c3y s VAL 87 N -0.68 2.69 -0.14 0.00 -7.23 -1.25 -4.89 120.40 108.88 1c3y s VAL 87 Ca 0.56 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.68 1c3y s VAL 87 Cb 0.32 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1c3y s VAL 87 CO -0.09 0.00 1.80 -1.59 -0.31 0.00 0.00 175.10 174.91 1c3y s LYS 88 N 2.45 3.80 0.33 4.82 0.00 -1.26 -4.70 119.74 125.18 1c3y s LYS 88 Ca 0.77 1.99 0.05 0.00 0.00 0.00 0.00 55.97 58.78 1c3y s LYS 88 Cb -0.44 -4.11 0.06 0.00 0.00 0.00 0.00 37.83 33.33 1c3y s LYS 88 CO 0.34 -1.31 0.46 1.63 0.00 0.00 0.00 175.35 176.47 1c3y n LYS 89 N 7.76 0.70 0.27 1.78 4.76 -1.26 -4.98 118.16 127.19 1c3y n LYS 89 Ca 0.21 -1.70 0.18 0.00 -2.87 0.00 0.00 58.31 54.13 1c3y n LYS 89 Cb 0.44 -0.17 0.86 0.00 -1.84 0.00 0.00 35.03 34.32 1c3y n LYS 89 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1c3y h ASP 90 N -0.00 0.00 -4.71 4.39 2.03 -2.02 -3.43 116.42 112.68 1c3y h ASP 90 Ca -0.15 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.98 1c3y h ASP 90 Cb 0.69 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 38.97 1c3y h ASP 90 CO 0.21 0.00 -0.56 0.28 -1.03 0.00 0.00 179.24 178.15 1c3y s THR 91 N -3.79 0.07 0.15 1.15 -1.32 -1.26 -5.06 115.64 105.58 1c3y s THR 91 Ca -0.01 -0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1c3y s THR 91 Cb 0.10 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 1c3y s THR 91 CO 0.43 -0.32 1.60 1.55 -2.21 0.00 0.00 174.62 175.66 1c3y h PRO 92 N 4.72 0.89 -0.06 7.08 0.13 -1.86 -2.74 132.00 140.16 1c3y h PRO 92 Ca -0.30 -0.29 0.02 0.00 -0.87 0.00 0.00 66.00 64.56 1c3y h PRO 92 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1c3y h PRO 92 CO 0.41 0.93 0.13 -0.56 -0.23 0.00 0.00 178.00 178.69 1c3y h GLN 93 N 0.75 0.00 0.11 0.86 3.07 -1.95 -2.17 115.11 115.78 1c3y h GLN 93 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.87 1c3y h GLN 93 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1c3y h GLN 93 CO 0.03 0.00 -0.05 1.25 0.09 0.00 0.00 178.83 180.14 1c3y h HIS 94 N 0.00 -0.14 -0.93 0.06 2.76 -1.79 -3.24 115.15 111.86 1c3y h HIS 94 Ca 0.03 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.47 1c3y h HIS 94 Cb 0.29 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 1c3y h HIS 94 CO 0.00 0.30 0.81 0.66 -1.30 0.00 0.00 177.93 178.40 1c3y h SER 95 N -0.93 0.00 0.14 3.26 4.64 -1.36 -0.82 113.55 118.47 1c3y h SER 95 Ca -0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1c3y h SER 95 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1c3y h SER 95 CO 0.03 0.00 -0.22 0.77 -0.87 0.00 0.00 176.83 176.53 1c3y h SER 96 N 0.00 -0.62 -0.26 4.97 4.64 -1.53 -1.65 113.55 119.11 1c3y h SER 96 Ca 0.44 0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.84 1c3y h SER 96 Cb 2.06 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 64.37 1c3y h SER 96 CO -0.00 -0.31 0.17 0.00 -0.87 0.00 0.00 176.83 175.81 1c3y h ALA 97 N 0.33 1.87 -0.18 5.18 0.00 -1.29 -1.01 119.26 124.16 1c3y h ALA 97 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1c3y h ALA 97 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1c3y h ALA 97 CO -0.11 0.11 0.06 -0.44 0.00 0.00 0.00 179.25 178.87 1c3y h ASP 98 N 0.31 0.22 0.74 0.00 5.19 -1.25 -3.03 116.42 118.60 1c3y h ASP 98 Ca 0.10 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1c3y h ASP 98 Cb 0.03 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1c3y h ASP 98 CO -0.02 0.22 -0.38 -0.26 -3.12 0.00 0.00 179.24 175.68 1c3y h PHE 99 N 0.25 -0.99 -3.60 4.55 0.04 -0.75 -3.36 116.94 113.08 1c3y h PHE 99 Ca 0.06 -0.02 -0.46 0.00 2.80 0.00 0.00 57.97 60.35 1c3y h PHE 99 Cb 0.08 0.34 0.20 0.00 2.20 0.00 0.00 35.95 38.76 1c3y h PHE 99 CO 0.00 -0.60 0.09 -0.06 -0.60 0.00 0.00 178.31 177.14 1c3y s PHE 100 N -5.30 1.53 0.00 -0.55 0.08 -1.14 -2.81 117.98 109.79 1c3y s PHE 100 Ca -0.15 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1c3y s PHE 100 Cb 0.02 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1c3y s PHE 100 CO 0.46 -3.46 0.00 1.63 -0.10 0.00 0.00 175.22 173.75 1c3y n LYS 101 N -4.64 0.00 -0.18 0.44 5.02 -1.26 -4.32 118.16 113.22 1c3y n LYS 101 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 1c3y n LYS 101 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.58 1c3y n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c3y h VAL 103 N -0.08 0.74 0.00 0.00 -1.51 -1.71 -3.14 116.25 110.55 1c3y h VAL 103 Ca 0.25 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 1c3y h VAL 103 Cb 0.47 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1c3y h VAL 103 CO -0.60 0.03 -0.20 0.45 -1.23 0.00 0.00 177.57 176.03 1c3y h HIS 104 N 0.00 0.00 -0.82 5.19 3.86 -0.47 -3.42 115.15 119.49 1c3y h HIS 104 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1c3y h HIS 104 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1c3y h HIS 104 CO 0.00 0.00 0.61 -0.51 0.86 0.00 0.00 177.93 178.89 1c3y s ASP 105 N -5.58 4.28 -0.55 2.45 1.11 0.29 -4.89 116.67 113.78 1c3y s ASP 105 Ca -0.06 0.22 -0.21 0.00 0.18 0.00 0.00 52.55 52.68 1c3y s ASP 105 Cb 0.01 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.52 1c3y s ASP 105 CO 0.08 -3.39 0.77 0.54 1.18 0.00 0.00 175.17 174.36 1c3y s ASN 106 N 10.64 6.24 -0.01 0.27 4.22 -1.26 -4.72 114.94 130.33 1c3y s ASN 106 Ca 0.89 -0.84 -0.02 0.00 -2.14 0.00 0.00 52.86 50.76 1c3y s ASN 106 Cb -0.13 -2.35 0.01 0.00 1.28 0.00 0.00 41.25 40.06 1c3y s ASN 106 CO 0.12 -1.09 0.03 0.54 -2.04 0.00 0.00 177.10 174.66 1c3y n ARG 107 N 6.76 -5.18 0.00 3.55 1.74 -1.26 -5.23 116.66 117.05 1c3y n ARG 107 Ca -0.04 3.77 0.00 0.00 -0.77 0.00 0.00 57.85 60.80 1c3y n ARG 107 Cb 0.46 -4.81 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1c3y n ARG 107 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98