#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 0.00 -1.64 6.31 -2.24 -1.26 -5.15 114.28 110.30 1c3y n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1c3y n THR 2 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1c3y n THR 2 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1c3y s PRO 3 N -1.88 2.70 -0.05 -0.78 0.04 -1.26 -5.04 135.00 128.73 1c3y s PRO 3 Ca 0.00 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1c3y s PRO 3 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1c3y s PRO 3 CO 0.00 -1.32 0.12 0.50 0.04 0.00 0.00 177.00 176.34 1c3y s ARG 4 N -4.35 3.27 -0.10 4.56 3.52 -1.26 -5.00 118.95 119.59 1c3y s ARG 4 Ca 0.65 -0.33 0.24 0.00 -0.13 0.00 0.00 55.73 56.16 1c3y s ARG 4 Cb -0.19 -3.01 0.44 0.00 -1.56 0.00 0.00 34.95 30.63 1c3y s ARG 4 CO 0.46 0.70 1.15 -0.85 -0.81 0.00 0.00 175.30 175.95 1c3y n GLU 5 N 1.45 0.63 -0.25 5.12 0.00 -1.26 -4.88 120.64 121.44 1c3y n GLU 5 Ca -0.15 -2.48 -0.06 0.00 0.00 0.00 0.00 57.16 54.47 1c3y n GLU 5 Cb 0.53 -0.54 0.08 0.00 0.00 0.00 0.00 31.44 31.51 1c3y n GLU 5 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1c3y h LYS 6 N 1.53 1.11 -1.72 3.44 1.63 -2.05 -3.38 116.57 117.13 1c3y h LYS 6 Ca -0.21 -0.24 -0.38 0.00 -0.85 0.00 0.00 60.65 58.97 1c3y h LYS 6 Cb 1.65 -0.16 -0.28 0.00 -0.60 0.00 0.00 32.23 32.85 1c3y h LYS 6 CO 0.11 0.95 -0.75 -1.17 -3.45 0.00 0.00 179.45 175.14 1c3y s LEU 7 N -9.57 0.05 -0.06 5.20 0.20 -1.26 -4.93 118.68 108.31 1c3y s LEU 7 Ca -0.12 -2.44 0.02 0.00 0.69 0.00 0.00 54.13 52.28 1c3y s LEU 7 Cb 0.15 0.67 0.07 0.00 -0.43 0.00 0.00 46.19 46.65 1c3y s LEU 7 CO 0.84 -0.11 0.99 1.17 -0.29 0.00 0.00 176.35 178.94 1c3y n LYS 8 N 2.89 0.24 -0.13 1.98 3.00 -1.26 -4.98 118.16 119.90 1c3y n LYS 8 Ca 0.24 -0.91 -0.27 0.00 -0.00 0.00 0.00 58.31 57.37 1c3y n LYS 8 Cb 0.52 0.48 -0.09 0.00 0.00 0.00 0.00 35.03 35.93 1c3y n LYS 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1c3y n GLN 9 N -0.27 0.58 0.00 1.64 6.02 -1.26 -4.97 117.38 119.12 1c3y n GLN 9 Ca -0.23 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1c3y n GLN 9 Cb 0.68 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1c3y n GLN 9 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1c3y n HIS 10 N -4.29 0.00 -3.37 1.08 8.25 -1.26 -4.27 115.22 111.36 1c3y n HIS 10 Ca -0.49 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 56.99 1c3y n HIS 10 Cb 0.83 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 1c3y n HIS 10 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1c3y s SER 11 N -3.27 -1.05 0.07 0.41 1.04 -1.26 -4.96 113.70 104.67 1c3y s SER 11 Ca 0.00 1.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 1c3y s SER 11 Cb 0.00 2.04 -0.13 0.00 0.10 0.00 0.00 66.02 68.03 1c3y s SER 11 CO 0.00 -0.20 1.59 -2.24 0.98 0.00 0.00 173.24 173.37 1c3y h ASP 12 N 7.91 0.14 0.00 7.02 2.03 -2.01 -3.27 116.42 128.24 1c3y h ASP 12 Ca -0.19 -0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1c3y h ASP 12 Cb 1.13 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1c3y h ASP 12 CO 0.13 0.28 -1.02 0.00 -1.03 0.00 0.00 179.24 177.60 1c3y n ALA 13 N -2.21 2.01 0.40 4.15 0.00 -1.26 -4.63 120.51 118.97 1c3y n ALA 13 Ca -0.06 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1c3y n ALA 13 Cb 0.12 0.06 0.50 0.00 0.00 0.00 0.00 19.45 20.13 1c3y n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c3y h LYS 15 N 0.00 0.00 0.11 0.00 -0.00 -1.72 -1.11 116.57 113.84 1c3y h LYS 15 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1c3y h LYS 15 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.63 1c3y h LYS 15 CO 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 179.45 179.40 1c3y h ALA 16 N 2.13 -1.00 0.00 0.07 0.00 -1.78 -3.29 119.26 115.39 1c3y h ALA 16 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1c3y h ALA 16 Cb 0.62 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1c3y h ALA 16 CO 0.00 -0.99 -0.41 1.49 0.00 0.00 0.00 179.25 179.34 1c3y h GLU 17 N -0.15 0.00 -3.91 0.00 4.81 -1.77 -3.38 114.58 110.18 1c3y h GLU 17 Ca -0.01 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.56 1c3y h GLU 17 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1c3y h GLU 17 CO 0.02 0.51 2.97 0.43 -0.73 0.00 0.00 179.01 182.21 1c3y n SER 18 N -4.62 4.38 -2.44 1.04 7.64 -0.42 -4.68 113.62 114.52 1c3y n SER 18 Ca -0.12 -2.70 -0.31 0.00 1.01 0.00 0.00 58.87 56.75 1c3y n SER 18 Cb 0.35 -1.44 0.03 0.00 -1.01 0.00 0.00 64.21 62.14 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 4.10 5.08 3.74 0.23 0.00 -1.24 -4.16 105.19 112.95 1c3y n GLY 19 Ca 0.55 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.16 1.04 -1.15 1.61 3.14 -1.26 -4.89 118.33 116.66 1c3y n VAL 20 Ca 0.51 -0.26 -0.25 0.00 -2.96 0.00 0.00 64.34 61.38 1c3y n VAL 20 Cb 0.50 -1.95 0.15 0.00 -1.06 0.00 0.00 33.84 31.48 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 2.13 4.40 -2.51 6.55 3.41 -1.26 -4.86 113.62 121.49 1c3y n SER 21 Ca 0.08 -3.56 -0.20 0.00 -0.26 0.00 0.00 58.87 54.93 1c3y n SER 21 Cb 0.37 -0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.02 -2.22 -0.08 4.33 -0.58 -1.26 -4.89 120.64 114.92 1c3y n GLU 22 Ca 0.57 0.95 -0.08 0.00 -0.42 0.00 0.00 57.16 58.18 1c3y n GLU 22 Cb 1.45 -5.64 -0.04 0.00 -0.57 0.00 0.00 31.44 26.65 1c3y n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1c3y n GLU 23 N -3.15 0.48 0.07 3.49 2.13 -1.26 -3.68 120.64 118.72 1c3y n GLU 23 Ca -0.22 0.54 -0.04 0.00 0.66 0.00 0.00 57.16 58.10 1c3y n GLU 23 Cb 0.67 -1.71 0.16 0.00 0.27 0.00 0.00 31.44 30.84 1c3y n GLU 23 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1c3y h SER 24 N -1.00 0.34 -0.31 4.31 0.02 -1.99 -2.85 113.55 112.07 1c3y h SER 24 Ca -0.08 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1c3y h SER 24 Cb 0.68 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1c3y h SER 24 CO -0.05 0.76 0.15 -0.07 -1.14 0.00 0.00 176.83 176.49 1c3y h LEU 25 N 0.26 0.44 -0.44 5.07 3.38 -1.97 -2.25 115.31 119.81 1c3y h LEU 25 Ca 0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1c3y h LEU 25 Cb 0.93 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1c3y h LEU 25 CO 0.08 0.39 0.09 -1.13 0.09 0.00 0.00 178.44 177.96 1c3y h ASN 26 N 0.50 0.68 0.01 -0.43 -0.73 -1.58 -2.35 115.58 111.68 1c3y h ASN 26 Ca 0.13 -0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 1c3y h ASN 26 Cb 0.08 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.49 1c3y h ASN 26 CO -0.02 0.75 -0.01 0.11 -0.37 0.00 0.00 177.43 177.90 1c3y h LYS 27 N 0.58 0.00 -0.04 6.67 1.57 -1.40 -1.10 116.57 122.86 1c3y h LYS 27 Ca 0.14 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1c3y h LYS 27 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1c3y h LYS 27 CO 0.01 0.01 0.03 0.28 -0.57 0.00 0.00 179.45 179.20 1c3y h VAL 28 N 0.00 0.95 -0.33 0.50 2.07 -1.16 -1.09 116.25 117.19 1c3y h VAL 28 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1c3y h VAL 28 Cb 0.01 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1c3y h VAL 28 CO 0.00 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.85 1c3y h ARG 29 N 0.00 0.10 -6.19 1.57 3.08 -1.28 -3.42 114.38 108.24 1c3y h ARG 29 Ca 0.02 -0.01 -0.49 0.00 0.07 0.00 0.00 59.98 59.57 1c3y h ARG 29 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1c3y h ARG 29 CO -0.00 0.07 -0.48 -0.80 -1.07 0.00 0.00 179.97 177.68 1c3y s ASN 30 N -6.58 5.89 -1.15 7.04 -0.87 -0.41 -4.97 114.94 113.88 1c3y s ASN 30 Ca -0.06 -0.10 -0.15 0.00 -1.57 0.00 0.00 52.86 50.99 1c3y s ASN 30 Cb 0.18 -1.62 -0.06 0.00 -0.02 0.00 0.00 41.25 39.74 1c3y s ASN 30 CO 0.71 -0.05 2.21 0.54 -2.57 0.00 0.00 177.10 177.95 1c3y n ARG 31 N -1.25 2.38 -0.05 -0.60 1.74 -1.26 -4.15 116.66 113.46 1c3y n ARG 31 Ca -0.08 -2.08 -0.05 0.00 -0.77 0.00 0.00 57.85 54.86 1c3y n ARG 31 Cb 0.57 -2.94 -0.09 0.00 -1.02 0.00 0.00 32.46 28.99 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 5.70 2.19 -2.29 5.56 -0.58 -1.26 -5.10 120.64 124.86 1c3y n GLU 32 Ca 0.54 -0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.25 1c3y n GLU 32 Cb 0.33 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 1c3y n GLU 32 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1c3y n GLU 33 N -2.41 -4.25 -3.94 3.49 4.07 -1.26 -5.06 120.64 111.28 1c3y n GLU 33 Ca -0.18 3.20 -0.13 0.00 -0.06 0.00 0.00 57.16 59.99 1c3y n GLU 33 Cb 0.85 -4.31 -0.14 0.00 -0.06 0.00 0.00 31.44 27.78 1c3y n GLU 33 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1c3y s VAL 34 N -0.54 0.11 0.00 6.31 0.11 -1.26 -5.09 120.40 120.04 1c3y s VAL 34 Ca -0.12 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1c3y s VAL 34 Cb 0.01 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1c3y s VAL 34 CO 0.32 0.04 0.00 0.47 -3.33 0.00 0.00 175.10 172.60 1c3y n ASP 35 N 3.14 0.00 -1.44 3.54 8.00 -1.26 -5.00 116.55 123.54 1c3y n ASP 35 Ca -0.14 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1c3y n ASP 35 Cb 0.59 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1c3y n ASP 35 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1c3y n ASP 36 N -1.61 -7.86 0.10 -2.24 9.92 -1.26 -3.85 116.55 109.74 1c3y n ASP 36 Ca 0.00 1.24 -0.07 0.00 -0.53 0.00 0.00 54.79 55.42 1c3y n ASP 36 Cb 0.00 -4.31 -0.04 0.00 -0.64 0.00 0.00 41.12 36.12 1c3y n ASP 36 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c3y h PRO 37 N 1.24 -0.32 -0.19 -0.24 0.13 -1.99 -3.01 132.00 127.62 1c3y h PRO 37 Ca 0.00 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1c3y h PRO 37 Cb 0.16 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1c3y h PRO 37 CO 0.00 -0.10 0.14 0.87 -0.23 0.00 0.00 178.00 178.68 1c3y h LYS 38 N -1.04 0.00 0.38 0.86 1.57 -1.90 0.33 116.57 116.77 1c3y h LYS 38 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1c3y h LYS 38 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1c3y h LYS 38 CO 0.06 0.00 -0.18 1.25 -0.57 0.00 0.00 179.45 180.00 1c3y h LEU 39 N 0.00 -0.44 -1.06 2.94 6.46 -1.79 0.45 115.31 121.88 1c3y h LEU 39 Ca 0.09 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1c3y h LEU 39 Cb 0.38 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1c3y h LEU 39 CO -0.00 -0.26 0.39 0.11 -0.62 0.00 0.00 178.44 178.06 1c3y h LYS 40 N -0.62 1.05 0.82 1.25 1.57 -1.37 0.08 116.57 119.34 1c3y h LYS 40 Ca -0.05 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1c3y h LYS 40 Cb 0.40 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1c3y h LYS 40 CO 0.09 0.78 -0.39 0.93 -0.57 0.00 0.00 179.45 180.29 1c3y h GLU 41 N 1.05 -1.06 -0.80 3.15 5.08 -0.37 -2.65 114.58 118.98 1c3y h GLU 41 Ca 0.26 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.80 1c3y h GLU 41 Cb 0.06 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1c3y h GLU 41 CO -0.04 -0.71 0.52 1.25 -1.00 0.00 0.00 179.01 179.04 1c3y h HIS 42 N -1.28 0.77 -0.48 4.33 2.76 -0.02 -1.84 115.15 119.40 1c3y h HIS 42 Ca -0.11 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1c3y h HIS 42 Cb 0.84 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 1c3y h HIS 42 CO 0.00 0.35 0.23 0.00 -1.30 0.00 0.00 177.93 177.21 1c3y h ALA 43 N 1.60 0.61 -0.39 5.26 0.00 -0.89 -0.98 119.26 124.47 1c3y h ALA 43 Ca 0.37 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1c3y h ALA 43 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1c3y h ALA 43 CO -0.15 -0.13 0.26 0.35 0.00 0.00 0.00 179.25 179.58 1c3y h PHE 44 N 0.45 0.32 0.00 0.00 3.57 -0.96 0.16 116.94 120.48 1c3y h PHE 44 Ca 0.22 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1c3y h PHE 44 Cb 0.15 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1c3y h PHE 44 CO -0.11 0.18 -0.22 0.00 -2.23 0.00 0.00 178.31 175.93 1c3y h ILE 46 N 0.00 1.04 0.42 0.00 1.08 -0.54 -2.79 117.51 116.72 1c3y h ILE 46 Ca -0.00 -2.70 -0.02 0.00 -0.39 0.00 0.00 64.86 61.75 1c3y h ILE 46 Cb 0.40 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1c3y h ILE 46 CO 0.03 0.81 -0.20 -0.07 -0.69 0.00 0.00 178.15 178.02 1c3y h LEU 47 N 0.07 -0.48 -0.92 1.44 -0.00 -0.62 0.82 115.31 115.61 1c3y h LEU 47 Ca -0.28 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.50 1c3y h LEU 47 Cb 2.03 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 42.80 1c3y h LEU 47 CO 0.15 -0.30 -0.13 0.50 -0.00 0.00 0.00 178.44 178.66 1c3y h LYS 48 N -0.62 0.65 -0.14 1.13 3.11 -1.40 -0.64 116.57 118.66 1c3y h LYS 48 Ca -0.06 -0.21 -0.06 0.00 -2.81 0.00 0.00 60.65 57.51 1c3y h LYS 48 Cb 0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1c3y h LYS 48 CO 0.10 0.76 -0.15 0.00 -2.81 0.00 0.00 179.45 177.34 1c3y h ARG 49 N 0.60 0.34 -0.09 1.90 2.47 -1.31 -3.03 114.38 115.26 1c3y h ARG 49 Ca 0.10 -0.19 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1c3y h ARG 49 Cb 0.56 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1c3y h ARG 49 CO 0.04 0.75 0.07 0.00 0.56 0.00 0.00 179.97 181.38 1c3y h ALA 50 N 0.59 2.00 0.00 0.04 0.00 0.75 -3.46 119.26 119.18 1c3y h ALA 50 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c3y h ALA 50 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1c3y h ALA 50 CO 0.04 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1c3y n GLY 51 N -1.52 1.93 0.11 0.00 0.00 -0.93 -5.01 105.19 99.76 1c3y n GLY 51 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 0.11 -4.54 1.61 3.72 -0.29 -4.96 117.46 112.23 1c3y n PHE 52 Ca 0.00 0.04 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 1c3y n PHE 52 Cb 0.00 -1.02 -0.14 0.00 -0.94 0.00 0.00 39.48 37.38 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 -2.51 1.42 0.54 4.37 2.07 -1.15 -1.82 121.20 124.12 1c3y s ILE 53 Ca -0.17 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.02 1c3y s ILE 53 Cb 0.07 -1.24 0.03 0.00 0.13 0.00 0.00 42.46 41.45 1c3y s ILE 53 CO 0.76 0.15 0.76 1.51 -1.91 0.00 0.00 174.94 176.22 1c3y s ASP 54 N -1.08 5.29 0.66 4.50 -4.77 -1.22 -4.22 116.67 115.84 1c3y s ASP 54 Ca 0.05 -0.03 0.32 0.00 -3.30 0.00 0.00 52.55 49.59 1c3y s ASP 54 Cb -0.08 -0.86 1.77 0.00 -1.09 0.00 0.00 42.92 42.65 1c3y s ASP 54 CO 0.01 -1.12 2.01 0.00 0.70 0.00 0.00 175.17 176.77 1c3y h ALA 55 N 0.10 1.33 0.00 2.11 0.00 -1.95 0.11 119.26 120.97 1c3y h ALA 55 Ca -0.42 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1c3y h ALA 55 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1c3y h ALA 55 CO 0.52 -0.29 -1.20 0.77 0.00 0.00 0.00 179.25 179.05 1c3y h SER 56 N 0.00 0.00 0.00 0.00 0.02 -2.05 -3.48 113.55 108.04 1c3y h SER 56 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1c3y h SER 56 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1c3y h SER 56 CO -0.00 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 1c3y n GLY 57 N 1.34 1.30 3.56 -3.77 0.00 0.40 -4.93 105.19 103.09 1c3y n GLY 57 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.03 3.50 0.52 1.61 2.56 -1.26 -4.74 118.70 120.85 1c3y s GLU 58 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 54.97 54.90 1c3y s GLU 58 Cb 0.00 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 32.09 1c3y s GLU 58 CO 0.00 -1.47 1.21 -0.59 -0.56 0.00 0.00 175.26 173.86 1c3y s PHE 59 N 4.30 2.62 -0.56 5.30 -0.12 -1.26 -3.43 117.98 124.83 1c3y s PHE 59 Ca 0.39 1.50 0.04 0.00 -0.05 0.00 0.00 56.93 58.81 1c3y s PHE 59 Cb -0.09 -3.48 0.16 0.00 -0.63 0.00 0.00 43.02 38.97 1c3y s PHE 59 CO 0.25 -1.97 0.38 -0.65 -0.05 0.00 0.00 175.22 173.18 1c3y s GLN 60 N -2.94 1.83 0.49 1.99 -0.21 -0.76 -4.93 119.66 115.12 1c3y s GLN 60 Ca 0.69 -2.72 0.28 0.00 0.02 0.00 0.00 55.36 53.64 1c3y s GLN 60 Cb -0.31 -2.76 1.06 0.00 1.00 0.00 0.00 33.01 32.01 1c3y s GLN 60 CO 0.36 -1.26 1.88 -0.07 -2.12 0.00 0.00 175.29 174.08 1c3y h LEU 61 N 5.86 0.00 -1.97 2.90 3.38 -1.95 -2.96 115.31 120.59 1c3y h LEU 61 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1c3y h LEU 61 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1c3y h LEU 61 CO 0.59 0.12 0.09 0.44 0.09 0.00 0.00 178.44 179.77 1c3y h ASP 62 N 0.00 0.04 0.67 -0.43 3.32 -1.98 -0.69 116.42 117.35 1c3y h ASP 62 Ca -0.00 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 1c3y h ASP 62 Cb 0.67 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1c3y h ASP 62 CO 0.02 0.03 -1.46 0.45 -1.72 0.00 0.00 179.24 176.55 1c3y h HIS 63 N 0.04 0.00 0.14 4.55 3.86 -1.93 -3.29 115.15 118.52 1c3y h HIS 63 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1c3y h HIS 63 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1c3y h HIS 63 CO -0.00 0.93 -0.07 0.82 0.86 0.00 0.00 177.93 180.47 1c3y h ILE 64 N 0.00 0.99 -0.86 2.45 2.04 -1.21 -2.51 117.51 118.40 1c3y h ILE 64 Ca -0.20 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.17 1c3y h ILE 64 Cb 1.88 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.25 1c3y h ILE 64 CO 0.09 0.14 0.51 0.07 0.00 0.00 0.00 178.15 178.96 1c3y h LYS 65 N -0.47 0.85 -0.58 2.37 2.10 -1.34 -1.20 116.57 118.30 1c3y h LYS 65 Ca -0.02 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1c3y h LYS 65 Cb 0.37 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 1c3y h LYS 65 CO 0.03 0.56 0.39 1.15 -2.00 0.00 0.00 179.45 179.58 1c3y h THR 66 N 0.87 1.15 0.09 0.07 2.02 -1.61 0.14 112.91 115.64 1c3y h THR 66 Ca 0.41 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1c3y h THR 66 Cb 0.34 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1c3y h THR 66 CO -0.23 0.14 -0.04 0.11 0.37 0.00 0.00 175.52 175.87 1c3y h LYS 67 N 0.79 -0.12 0.00 6.66 1.79 -0.87 -2.22 116.57 122.60 1c3y h LYS 67 Ca 0.21 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1c3y h LYS 67 Cb -0.09 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1c3y h LYS 67 CO -0.05 0.06 -0.07 0.74 -1.08 0.00 0.00 179.45 179.05 1c3y h PHE 68 N -0.28 0.00 0.00 -1.35 0.04 -1.07 -1.22 116.94 113.06 1c3y h PHE 68 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1c3y h PHE 68 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1c3y h PHE 68 CO -0.02 0.07 0.00 1.17 -0.60 0.00 0.00 178.31 178.93 1c3y n LYS 69 N -3.51 0.00 -0.32 1.51 4.81 0.46 -1.22 118.16 119.90 1c3y n LYS 69 Ca -0.02 0.44 0.07 0.00 -0.87 0.00 0.00 58.31 57.93 1c3y n LYS 69 Cb 0.20 -1.20 0.22 0.00 0.02 0.00 0.00 35.03 34.28 1c3y n LYS 69 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1c3y h GLU 70 N 0.00 0.79 0.00 1.64 4.11 -1.45 0.81 114.58 120.48 1c3y h GLU 70 Ca 0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 1c3y h GLU 70 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1c3y h GLU 70 CO 0.00 0.52 -0.31 -0.97 0.07 0.00 0.00 179.01 178.32 1c3y h ASN 71 N 0.81 0.00 -4.16 3.06 -1.24 -1.33 -3.43 115.58 109.28 1c3y h ASN 71 Ca 0.47 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 57.00 1c3y h ASN 71 Cb 0.54 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.62 1c3y h ASN 71 CO -0.30 0.31 0.37 -0.44 -1.29 0.00 0.00 177.43 176.09 1c3y s SER 72 N -6.94 6.29 0.20 1.15 0.01 0.28 -4.97 113.70 109.71 1c3y s SER 72 Ca -0.03 1.74 0.10 0.00 1.31 0.00 0.00 55.95 59.07 1c3y s SER 72 Cb 0.15 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1c3y s SER 72 CO 0.72 -0.82 1.41 -0.33 0.41 0.00 0.00 173.24 174.62 1c3y h GLU 73 N 0.95 0.00 -2.29 12.44 5.08 -1.85 -3.41 114.58 125.50 1c3y h GLU 73 Ca -0.47 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.39 1c3y h GLU 73 Cb 1.20 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.10 1c3y h GLU 73 CO 0.59 0.79 -0.80 -1.01 -1.00 0.00 0.00 179.01 177.59 1c3y s HIS 74 N -3.00 0.33 0.07 4.33 3.76 -1.26 -5.13 115.29 114.40 1c3y s HIS 74 Ca 0.01 -1.39 -0.31 0.00 -0.15 0.00 0.00 55.06 53.22 1c3y s HIS 74 Cb 0.10 -0.69 -0.07 0.00 1.11 0.00 0.00 32.58 33.03 1c3y s HIS 74 CO 0.79 -0.89 1.32 -1.25 -0.85 0.00 0.00 174.74 173.86 1c3y s PRO 75 N 1.08 4.35 0.00 8.40 0.04 -1.26 -4.56 135.00 143.05 1c3y s PRO 75 Ca 0.20 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1c3y s PRO 75 Cb -0.17 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1c3y s PRO 75 CO -0.03 -0.40 0.00 -0.85 0.04 0.00 0.00 177.00 175.76 1c3y n GLU 76 N 4.21 0.00 0.00 4.56 0.28 -1.26 -4.96 120.64 123.47 1c3y n GLU 76 Ca 0.11 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.15 1c3y n GLU 76 Cb 0.44 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.19 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 0.00 0.65 -0.20 3.44 4.76 -1.26 -4.33 118.16 121.21 1c3y n LYS 77 Ca 0.00 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1c3y n LYS 77 Cb 0.00 -1.65 0.09 0.00 -1.84 0.00 0.00 35.03 31.63 1c3y n LYS 77 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1c3y h VAL 78 N 0.00 0.89 -0.38 -0.18 2.07 -1.93 0.20 116.25 116.92 1c3y h VAL 78 Ca -0.14 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1c3y h VAL 78 Cb 1.37 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1c3y h VAL 78 CO 0.02 0.09 -0.17 -2.24 0.02 0.00 0.00 177.57 175.29 1c3y h ASP 79 N 0.51 -0.58 0.31 0.57 3.04 -1.90 0.73 116.42 119.10 1c3y h ASP 79 Ca 0.28 0.14 -0.15 0.00 -3.24 0.00 0.00 57.03 54.05 1c3y h ASP 79 Cb 0.25 0.32 -0.01 0.00 -1.04 0.00 0.00 39.33 38.85 1c3y h ASP 79 CO -0.22 -0.20 -0.62 -0.78 -2.04 0.00 0.00 179.24 175.37 1c3y h ASP 80 N -0.10 0.35 -0.22 4.15 3.58 -1.70 -3.15 116.42 119.33 1c3y h ASP 80 Ca 0.19 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1c3y h ASP 80 Cb 0.39 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1c3y h ASP 80 CO -0.44 0.88 0.01 0.25 -2.88 0.00 0.00 179.24 177.06 1c3y h LEU 81 N 0.22 0.38 -1.43 2.28 5.85 0.65 -2.92 115.31 120.35 1c3y h LEU 81 Ca -0.01 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.51 1c3y h LEU 81 Cb 1.14 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1c3y h LEU 81 CO 0.10 0.58 0.48 0.58 -0.34 0.00 0.00 178.44 179.84 1c3y h VAL 82 N 0.16 0.95 0.84 1.05 2.07 0.39 0.85 116.25 122.58 1c3y h VAL 82 Ca 0.06 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1c3y h VAL 82 Cb 0.38 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1c3y h VAL 82 CO 0.01 0.12 -0.40 0.00 0.02 0.00 0.00 177.57 177.31 1c3y h ALA 83 N 1.63 -1.13 0.00 1.67 0.00 -1.47 0.61 119.26 120.56 1c3y h ALA 83 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c3y h ALA 83 Cb 0.43 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1c3y h ALA 83 CO -0.12 -1.12 0.00 -0.22 0.00 0.00 0.00 179.25 177.80 1c3y h LYS 84 N -1.17 0.00 0.06 0.00 1.63 -1.36 -3.19 116.57 112.55 1c3y h LYS 84 Ca -0.12 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.39 1c3y h LYS 84 Cb 0.87 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 1c3y h LYS 84 CO 0.19 0.00 -1.56 0.00 -3.45 0.00 0.00 179.45 174.63 1c3y n ALA 86 N -2.62 6.99 -1.80 0.00 0.00 0.21 -4.43 120.51 118.86 1c3y n ALA 86 Ca -0.16 -3.56 -0.21 0.00 0.00 0.00 0.00 53.44 49.52 1c3y n ALA 86 Cb 1.03 -3.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 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 2.47 3.22 -0.29 0.00 -7.23 -1.26 -4.88 120.40 112.43 1c3y s VAL 87 Ca 0.64 -0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.35 1c3y s VAL 87 Cb 0.17 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1c3y s VAL 87 CO -0.06 -0.48 2.03 -1.59 -0.31 0.00 0.00 175.10 174.69 1c3y s LYS 88 N 7.95 3.16 0.36 4.82 0.00 -1.26 -4.61 119.74 130.16 1c3y s LYS 88 Ca 0.82 1.69 0.03 0.00 0.00 0.00 0.00 55.97 58.50 1c3y s LYS 88 Cb -0.10 -4.30 0.07 0.00 0.00 0.00 0.00 37.83 33.49 1c3y s LYS 88 CO 0.05 -2.07 0.50 1.63 0.00 0.00 0.00 175.35 175.45 1c3y n LYS 89 N 8.64 0.51 -0.11 1.78 4.76 -1.26 -5.02 118.16 127.45 1c3y n LYS 89 Ca 0.27 -1.63 -0.11 0.00 -2.87 0.00 0.00 58.31 53.97 1c3y n LYS 89 Cb 0.46 -0.25 -0.03 0.00 -1.84 0.00 0.00 35.03 33.38 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 -0.13 0.57 -2.97 4.39 3.04 -2.01 -3.43 116.42 115.87 1c3y h ASP 90 Ca -0.17 -0.33 -0.61 0.00 -3.24 0.00 0.00 57.03 52.68 1c3y h ASP 90 Cb 0.69 -0.15 -0.05 0.00 -1.04 0.00 0.00 39.33 38.77 1c3y h ASP 90 CO 0.21 0.77 -0.32 0.42 -2.04 0.00 0.00 179.24 178.28 1c3y s THR 91 N -4.91 5.20 0.07 1.15 -4.23 -1.26 -5.01 115.64 106.65 1c3y s THR 91 Ca -0.13 0.38 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 1c3y s THR 91 Cb 0.09 -3.60 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 1c3y s THR 91 CO 0.77 0.39 1.34 1.55 -0.54 0.00 0.00 174.62 178.14 1c3y h PRO 92 N 4.09 0.55 0.00 3.99 0.13 -1.85 -2.90 132.00 136.01 1c3y h PRO 92 Ca -0.50 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1c3y h PRO 92 Cb 1.20 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c3y h PRO 92 CO 0.65 0.93 -0.00 -0.56 -0.23 0.00 0.00 178.00 178.79 1c3y h GLN 93 N 0.22 0.00 0.32 0.86 3.07 -1.95 -2.22 115.11 115.41 1c3y h GLN 93 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 1c3y h GLN 93 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.45 1c3y h GLN 93 CO 0.07 0.00 -0.15 1.25 0.09 0.00 0.00 178.83 180.09 1c3y h HIS 94 N 0.00 -0.40 -0.90 0.06 2.76 -1.82 -3.18 115.15 111.67 1c3y h HIS 94 Ca -0.00 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.42 1c3y h HIS 94 Cb 0.00 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 1c3y h HIS 94 CO 0.00 -0.25 0.78 0.66 -1.30 0.00 0.00 177.93 177.83 1c3y h SER 95 N -0.79 0.00 0.25 3.26 4.64 -1.35 -1.31 113.55 118.24 1c3y h SER 95 Ca -0.04 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1c3y h SER 95 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1c3y h SER 95 CO 0.07 0.00 -0.34 0.28 -0.87 0.00 0.00 176.83 175.97 1c3y h SER 96 N 0.00 -0.94 -0.14 4.97 0.02 -1.39 -1.64 113.55 114.43 1c3y h SER 96 Ca 0.43 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1c3y h SER 96 Cb 1.99 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 64.86 1c3y h SER 96 CO -0.00 -0.45 0.08 0.00 -1.14 0.00 0.00 176.83 175.31 1c3y h ALA 97 N -0.10 1.84 -0.60 3.77 0.00 -1.32 -2.14 119.26 120.71 1c3y h ALA 97 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1c3y h ALA 97 Cb 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1c3y h ALA 97 CO -0.12 0.14 0.31 -0.44 0.00 0.00 0.00 179.25 179.14 1c3y h ASP 98 N 0.22 0.77 0.65 0.00 5.19 -1.26 -3.10 116.42 118.89 1c3y h ASP 98 Ca 0.06 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1c3y h ASP 98 Cb 0.02 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.34 1c3y h ASP 98 CO -0.01 0.66 -0.32 -0.26 -3.12 0.00 0.00 179.24 176.19 1c3y h PHE 99 N 0.82 -0.83 0.00 4.55 0.04 -0.65 -2.57 116.94 118.29 1c3y h PHE 99 Ca 0.21 -0.02 -0.68 0.00 2.80 0.00 0.00 57.97 60.28 1c3y h PHE 99 Cb 0.08 0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1c3y h PHE 99 CO -0.01 -0.51 3.57 1.19 -0.60 0.00 0.00 178.31 181.95 1c3y n PHE 100 N -5.47 2.80 0.12 -0.55 3.72 -1.13 -3.64 117.46 113.30 1c3y n PHE 100 Ca -0.13 -3.02 0.00 0.00 -0.05 0.00 0.00 57.45 54.24 1c3y n PHE 100 Cb 0.36 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.40 1c3y n PHE 100 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1c3y n LYS 101 N 4.53 0.00 0.14 -1.08 5.02 -1.19 -4.93 118.16 120.65 1c3y n LYS 101 Ca 0.68 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.83 1c3y n LYS 101 Cb 0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.65 0.32 -0.23 0.00 -1.51 -1.83 0.13 116.25 112.48 1c3y h VAL 103 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1c3y h VAL 103 Cb 0.66 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1c3y h VAL 103 CO -0.19 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.56 1c3y n HIS 104 N -3.54 0.31 -0.09 5.19 -0.00 -0.21 -4.09 115.22 112.79 1c3y n HIS 104 Ca -0.01 -0.16 -0.16 0.00 -0.00 0.00 0.00 57.72 57.39 1c3y n HIS 104 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.12 1c3y n HIS 104 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1c3y n ASP 105 N 0.20 1.66 -4.91 0.41 8.00 0.46 -4.89 116.55 117.47 1c3y n ASP 105 Ca 0.09 0.28 -0.27 0.00 0.71 0.00 0.00 54.79 55.60 1c3y n ASP 105 Cb 0.21 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1c3y n ASP 105 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1c3y s ASN 106 N -6.52 6.38 0.00 -2.24 3.84 -1.22 -5.00 114.94 110.17 1c3y s ASN 106 Ca -0.28 0.71 0.00 0.00 0.21 0.00 0.00 52.86 53.51 1c3y s ASN 106 Cb 0.08 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 1c3y s ASN 106 CO 0.37 -0.31 0.00 0.54 -2.79 0.00 0.00 177.10 174.91 1c3y n ARG 107 N -1.43 0.00 0.00 0.43 1.74 -1.26 -4.89 116.66 111.24 1c3y n ARG 107 Ca -0.02 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.21 1c3y n ARG 107 Cb 0.55 0.00 0.78 0.00 -1.02 0.00 0.00 32.46 32.77 1c3y n ARG 107 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54