#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdk n GLY 2 N 0.00 2.50 3.55 -0.72 0.00 -1.26 -4.99 105.19 104.28 3mdk n GLY 2 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3mdk n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdk n ALA 3 N 1.35 -0.98 -1.77 4.61 0.00 -1.26 -4.93 120.51 117.54 3mdk n ALA 3 Ca 0.25 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3mdk n ALA 3 Cb 0.75 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 3mdk n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mdk s THR 4 N -2.02 2.03 0.00 0.00 2.01 -1.26 -4.91 115.64 111.48 3mdk s THR 4 Ca 0.68 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.71 3mdk s THR 4 Cb -0.31 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.18 3mdk s THR 4 CO 0.56 0.01 0.09 -0.46 -0.69 0.00 0.00 174.62 174.13 3mdk n ASN 5 N 1.41 0.00 -4.13 3.53 0.23 -1.26 -3.82 115.26 111.22 3mdk n ASN 5 Ca 0.05 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.58 52.95 3mdk n ASN 5 Cb 0.38 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 3mdk n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mdk s ARG 6 N 0.00 0.71 0.10 -3.83 1.70 -1.26 -4.52 118.95 111.85 3mdk s ARG 6 Ca 0.00 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.03 3mdk s ARG 6 Cb 0.00 -0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 33.73 3mdk s ARG 6 CO 0.00 0.11 1.89 -0.11 -1.08 0.00 0.00 175.30 176.10 3mdk n LEU 7 N 1.19 4.12 -4.00 -1.89 7.94 -1.26 -4.34 117.00 118.77 3mdk n LEU 7 Ca -0.21 0.96 -0.08 0.00 -1.11 0.00 0.00 56.01 55.57 3mdk n LEU 7 Cb 0.55 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.87 3mdk n LEU 7 CO 0.22 0.20 -0.22 0.00 -1.11 0.00 0.00 177.39 176.48 3mdk s ALA 8 N 3.26 0.23 -0.08 1.96 0.00 0.15 -1.43 121.76 125.85 3mdk s ALA 8 Ca 0.84 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 3mdk s ALA 8 Cb -0.46 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3mdk s ALA 8 CO 0.38 -0.46 0.02 0.00 0.00 0.00 0.00 175.76 175.70 3mdk s TYR 10 N 2.02 2.78 -0.02 0.00 2.02 0.21 -0.31 117.35 124.04 3mdk s TYR 10 Ca 0.05 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.70 3mdk s TYR 10 Cb -0.13 -3.58 0.02 0.00 -0.40 0.00 0.00 41.96 37.87 3mdk s TYR 10 CO -0.05 -1.81 -0.01 0.45 -1.57 0.00 0.00 175.55 172.55 3mdk s SER 11 N 2.19 0.42 -0.37 2.29 0.15 -0.42 -1.52 113.70 116.43 3mdk s SER 11 Ca 0.56 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.96 3mdk s SER 11 Cb -0.21 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 3mdk s SER 11 CO 0.17 -0.05 0.66 -0.62 1.20 0.00 0.00 173.24 174.60 3mdk s ASP 12 N 0.60 6.42 0.27 5.45 -1.08 -1.26 -1.08 116.67 125.99 3mdk s ASP 12 Ca -0.06 0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.26 3mdk s ASP 12 Cb -0.09 -2.34 1.02 0.00 -1.46 0.00 0.00 42.92 40.05 3mdk s ASP 12 CO -0.01 -0.65 1.62 -0.81 0.52 0.00 0.00 175.17 175.84 3mdk n PRO 13 N 6.15 0.14 0.01 4.34 -0.04 -1.26 -0.84 135.00 143.51 3mdk n PRO 13 Ca -0.01 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 3mdk n PRO 13 Cb 0.48 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3mdk n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mdk n ALA 14 N -1.75 3.72 -2.67 0.55 0.00 -1.26 -4.25 120.51 114.85 3mdk n ALA 14 Ca -0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 3mdk n ALA 14 Cb 0.09 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3mdk n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mdk s ASP 15 N -3.61 6.39 0.50 0.00 2.15 -0.02 -4.99 116.67 117.09 3mdk s ASP 15 Ca 0.05 0.45 0.24 0.00 0.43 0.00 0.00 52.55 53.72 3mdk s ASP 15 Cb 0.15 -2.21 1.32 0.00 -0.30 0.00 0.00 42.92 41.88 3mdk s ASP 15 CO 0.81 -0.06 2.05 1.12 -0.17 0.00 0.00 175.17 178.92 3mdk h HIS 16 N 7.40 0.00 -0.40 -5.34 2.07 -1.92 -0.12 115.15 116.84 3mdk h HIS 16 Ca -0.36 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.04 3mdk h HIS 16 Cb 1.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 3mdk h HIS 16 CO 0.68 0.14 -0.20 1.88 -3.07 0.00 0.00 177.93 177.36 3mdk h TYR 17 N 0.00 0.97 -0.36 6.12 0.05 -1.94 -1.04 116.97 120.77 3mdk h TYR 17 Ca -0.00 -0.24 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 3mdk h TYR 17 Cb 0.33 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3mdk h TYR 17 CO 0.00 1.01 0.07 0.77 -1.05 0.00 0.00 178.16 178.96 3mdk h SER 18 N 0.65 0.56 -0.71 3.88 0.02 -1.65 -2.87 113.55 113.43 3mdk h SER 18 Ca 0.09 -0.25 0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3mdk h SER 18 Cb 0.76 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.05 3mdk h SER 18 CO 0.06 0.67 0.23 -0.74 -1.14 0.00 0.00 176.83 175.91 3mdk h HIS 19 N 0.44 0.38 -0.54 3.45 -0.00 -0.84 -0.60 115.15 117.44 3mdk h HIS 19 Ca 0.11 0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.62 3mdk h HIS 19 Cb 0.34 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 27.58 3mdk h HIS 19 CO 0.02 0.01 -0.30 0.00 -0.00 0.00 0.00 177.93 177.66 3mdk h ARG 20 N 0.36 -0.15 -0.49 5.26 3.08 -0.96 0.17 114.38 121.64 3mdk h ARG 20 Ca 0.39 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.38 3mdk h ARG 20 Cb 0.61 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3mdk h ARG 20 CO -0.43 -0.10 0.04 0.28 -1.07 0.00 0.00 179.97 178.68 3mdk h VAL 21 N -0.16 1.26 -0.09 2.04 2.07 -1.36 -1.68 116.25 118.32 3mdk h VAL 21 Ca 0.23 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3mdk h VAL 21 Cb 0.53 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3mdk h VAL 21 CO -0.63 0.35 0.01 0.03 0.02 0.00 0.00 177.57 177.36 3mdk h ARG 22 N 0.70 0.12 -0.11 1.57 3.08 -0.51 -0.77 114.38 118.46 3mdk h ARG 22 Ca 0.14 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3mdk h ARG 22 Cb 0.46 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3mdk h ARG 22 CO 0.02 0.13 -0.18 1.25 -1.07 0.00 0.00 179.97 180.11 3mdk h LEU 23 N 0.13 0.36 -0.81 3.04 5.85 -0.21 -1.00 115.31 122.66 3mdk h LEU 23 Ca 0.03 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3mdk h LEU 23 Cb 0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3mdk h LEU 23 CO -0.00 0.83 0.52 0.58 -0.34 0.00 0.00 178.44 180.03 3mdk h VAL 24 N -0.10 1.15 -0.49 1.05 2.07 -0.99 0.13 116.25 119.07 3mdk h VAL 24 Ca 0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3mdk h VAL 24 Cb 0.75 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3mdk h VAL 24 CO 0.04 0.19 0.32 -0.07 0.02 0.00 0.00 177.57 178.07 3mdk h LEU 25 N 1.04 0.57 -0.63 2.57 3.38 -1.13 -1.05 115.31 120.06 3mdk h LEU 25 Ca 0.31 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3mdk h LEU 25 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3mdk h LEU 25 CO -0.10 0.42 0.23 0.00 0.09 0.00 0.00 178.44 179.09 3mdk h ALA 26 N 1.17 0.82 -0.90 1.53 0.00 -0.46 -1.16 119.26 120.26 3mdk h ALA 26 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mdk h ALA 26 Cb -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 3mdk h ALA 26 CO -0.04 0.46 0.59 0.93 0.00 0.00 0.00 179.25 181.19 3mdk h GLU 27 N 0.89 1.10 0.00 0.00 4.39 -0.47 -2.64 114.58 117.85 3mdk h GLU 27 Ca 0.21 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3mdk h GLU 27 Cb 0.24 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3mdk h GLU 27 CO -0.01 0.73 0.00 0.87 -1.16 0.00 0.00 179.01 179.43 3mdk h LYS 28 N 1.13 0.00 -1.14 2.33 1.79 -0.71 -3.40 116.57 116.58 3mdk h LYS 28 Ca 0.35 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.53 3mdk h LYS 28 Cb 0.01 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 3mdk h LYS 28 CO -0.10 0.00 -0.30 0.41 -1.08 0.00 0.00 179.45 178.37 3mdk n GLY 29 N 0.77 0.95 3.87 3.86 0.00 -0.48 -4.77 105.19 109.39 3mdk n GLY 29 Ca 0.03 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3mdk n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mdk s VAL 30 N -2.60 4.74 0.00 1.61 -7.23 -1.22 -5.04 120.40 110.66 3mdk s VAL 30 Ca 0.00 0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 60.60 3mdk s VAL 30 Cb 0.00 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 3mdk s VAL 30 CO 0.00 -0.49 1.15 -0.55 -0.31 0.00 0.00 175.10 174.89 3mdk s SER 31 N -3.02 7.14 -0.19 4.85 0.15 -1.26 -4.93 113.70 116.44 3mdk s SER 31 Ca 0.53 1.85 -0.12 0.00 0.70 0.00 0.00 55.95 58.91 3mdk s SER 31 Cb -0.10 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3mdk s SER 31 CO 0.29 -0.46 0.47 0.54 1.20 0.00 0.00 173.24 175.28 3mdk s VAL 32 N 1.48 -0.02 -0.46 4.45 0.11 -1.26 -4.72 120.40 119.99 3mdk s VAL 32 Ca 0.56 0.06 -0.23 0.00 -2.93 0.00 0.00 61.98 59.43 3mdk s VAL 32 Cb -0.26 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 3mdk s VAL 32 CO 0.26 0.02 0.80 -1.58 -3.33 0.00 0.00 175.10 171.27 3mdk s GLN 33 N 1.15 3.40 0.06 1.54 0.74 -0.51 -4.94 119.66 121.10 3mdk s GLN 33 Ca -0.07 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 3mdk s GLN 33 Cb -0.07 -3.95 -0.05 0.00 1.10 0.00 0.00 33.01 30.05 3mdk s GLN 33 CO -0.10 -1.15 1.01 -0.51 -0.55 0.00 0.00 175.29 173.99 3mdk s LEU 34 N 3.35 4.42 -0.27 3.68 1.02 -1.26 -0.84 118.68 128.78 3mdk s LEU 34 Ca 0.30 1.79 0.02 0.00 0.02 0.00 0.00 54.13 56.26 3mdk s LEU 34 Cb -0.12 -3.58 0.07 0.00 0.02 0.00 0.00 46.19 42.58 3mdk s LEU 34 CO 0.23 -0.22 -0.04 -0.63 0.02 0.00 0.00 176.35 175.71 3mdk s ILE 35 N 0.56 1.95 0.14 -0.59 1.01 0.58 -4.91 121.20 119.94 3mdk s ILE 35 Ca 0.51 -1.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.17 3mdk s ILE 35 Cb -0.24 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 3mdk s ILE 35 CO 0.29 -0.22 1.32 -1.81 0.00 0.00 0.00 174.94 174.53 3mdk s ASP 36 N 1.16 6.90 -0.06 3.58 1.01 -1.26 -1.30 116.67 126.70 3mdk s ASP 36 Ca -0.02 2.30 0.05 0.00 0.71 0.00 0.00 52.55 55.59 3mdk s ASP 36 Cb -0.19 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 3mdk s ASP 36 CO -0.07 -0.57 -0.22 0.68 0.21 0.00 0.00 175.17 175.20 3mdk s VAL 37 N 0.69 2.37 -0.15 -1.27 -7.23 -0.24 -4.88 120.40 109.69 3mdk s VAL 37 Ca 0.60 -0.96 -0.28 0.00 -1.81 0.00 0.00 61.98 59.53 3mdk s VAL 37 Cb -0.35 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3mdk s VAL 37 CO 0.33 0.57 0.97 -0.62 -0.31 0.00 0.00 175.10 176.05 3mdk s ASP 38 N -0.32 7.15 0.00 4.85 2.15 -1.26 -4.42 116.67 124.81 3mdk s ASP 38 Ca 0.01 1.41 0.13 0.00 0.43 0.00 0.00 52.55 54.54 3mdk s ASP 38 Cb -0.13 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.69 3mdk s ASP 38 CO 0.02 -0.49 1.30 -0.81 -0.17 0.00 0.00 175.17 175.03 3mdk n PRO 39 N 5.37 0.28 0.00 4.34 -0.04 -1.26 -1.98 135.00 141.71 3mdk n PRO 39 Ca 0.09 0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 3mdk n PRO 39 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3mdk n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mdk n ALA 40 N -1.18 2.88 -3.27 0.55 0.00 -1.26 -4.74 120.51 113.49 3mdk n ALA 40 Ca 0.08 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 3mdk n ALA 40 Cb 0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 3mdk n ALA 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mdk n HIS 41 N -0.39 -0.61 -1.74 0.00 8.25 -0.84 -5.13 115.22 114.77 3mdk n HIS 41 Ca 0.04 -3.45 -0.42 0.00 -0.26 0.00 0.00 57.72 53.62 3mdk n HIS 41 Cb 0.20 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3mdk n HIS 41 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 3mdk n LEU 42 N 1.99 4.24 -4.76 2.41 -0.00 -1.22 -4.40 117.00 115.26 3mdk n LEU 42 Ca 0.25 1.16 -0.32 0.00 -0.00 0.00 0.00 56.01 57.10 3mdk n LEU 42 Cb 0.51 -1.57 0.09 0.00 -0.00 0.00 0.00 43.42 42.44 3mdk n LEU 42 CO 0.14 0.06 0.71 -2.16 -0.00 0.00 0.00 177.39 176.14 3mdk s PRO 43 N -0.72 2.27 0.12 1.47 0.04 -1.26 -4.95 135.00 131.98 3mdk s PRO 43 Ca 0.63 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 3mdk s PRO 43 Cb -0.51 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3mdk s PRO 43 CO 0.51 -1.64 1.48 -0.09 0.04 0.00 0.00 177.00 177.30 3mdk h ARG 44 N -0.91 0.81 0.00 4.56 1.12 -2.01 -2.98 114.38 114.97 3mdk h ARG 44 Ca -0.44 -0.37 -0.02 0.00 -1.11 0.00 0.00 59.98 58.04 3mdk h ARG 44 Cb 1.24 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.18 3mdk h ARG 44 CO 0.51 1.00 -0.08 -0.22 -3.11 0.00 0.00 179.97 178.07 3mdk h LYS 45 N 0.60 0.00 0.05 0.20 1.63 -1.98 -2.56 116.57 114.51 3mdk h LYS 45 Ca 0.08 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.73 3mdk h LYS 45 Cb 0.79 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.43 3mdk h LYS 45 CO 0.06 0.08 -0.60 1.25 -3.45 0.00 0.00 179.45 176.80 3mdk h LEU 46 N 0.00 0.44 -1.19 5.20 5.85 -1.93 -3.33 115.31 120.35 3mdk h LEU 46 Ca -0.00 -0.84 0.02 0.00 0.84 0.00 0.00 57.88 57.89 3mdk h LEU 46 Cb 0.25 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3mdk h LEU 46 CO 0.01 1.23 0.55 0.00 -0.34 0.00 0.00 178.44 179.90 3mdk h ALA 47 N 0.21 1.43 0.00 1.25 0.00 -1.32 -0.77 119.26 120.06 3mdk h ALA 47 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mdk h ALA 47 Cb 1.37 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mdk h ALA 47 CO 0.11 0.52 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 3mdk n GLU 48 N -4.42 0.98 0.00 0.00 0.28 -1.04 -3.26 120.64 113.18 3mdk n GLU 48 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 3mdk n GLU 48 Cb 0.05 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 31.90 3mdk n GLU 48 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 3mdk n VAL 49 N -0.48 0.00 -3.50 3.84 3.14 -0.70 -4.98 118.33 115.65 3mdk n VAL 49 Ca 0.00 -0.09 -0.28 0.00 -2.96 0.00 0.00 64.34 61.01 3mdk n VAL 49 Cb 0.01 0.70 -0.14 0.00 -1.06 0.00 0.00 33.84 33.36 3mdk n VAL 49 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3mdk s ASN 50 N -0.37 3.17 0.00 6.55 3.84 -0.38 -4.94 114.94 122.82 3mdk s ASN 50 Ca 0.00 -1.53 0.13 0.00 0.21 0.00 0.00 52.86 51.67 3mdk s ASN 50 Cb 0.00 -0.28 0.60 0.00 -0.55 0.00 0.00 41.25 41.02 3mdk s ASN 50 CO 0.00 -0.39 1.38 -2.65 -2.79 0.00 0.00 177.10 172.65 3mdk n PRO 51 N 4.86 0.08 0.01 0.43 -0.02 -1.26 -0.68 135.00 138.42 3mdk n PRO 51 Ca 0.00 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3mdk n PRO 51 Cb 0.41 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 3mdk n PRO 51 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3mdk n TYR 52 N -1.41 0.09 -3.71 6.00 4.01 -1.26 -4.99 117.16 115.89 3mdk n TYR 52 Ca 0.04 0.03 -0.28 0.00 -0.16 0.00 0.00 57.90 57.53 3mdk n TYR 52 Cb 0.13 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 3mdk n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdk n GLY 53 N 1.45 -0.50 3.94 2.72 0.00 0.15 -4.98 105.19 107.98 3mdk n GLY 53 Ca 0.04 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3mdk n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mdk s SER 54 N -3.09 6.32 0.12 1.61 1.04 -1.26 -5.04 113.70 113.39 3mdk s SER 54 Ca 0.57 0.39 0.06 0.00 0.48 0.00 0.00 55.95 57.45 3mdk s SER 54 Cb -0.29 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 3mdk s SER 54 CO 0.70 -0.22 -0.15 0.68 0.98 0.00 0.00 173.24 175.23 3mdk s VAL 55 N -2.20 1.35 0.36 5.02 -7.23 -1.26 -4.21 120.40 112.23 3mdk s VAL 55 Ca 0.39 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.63 3mdk s VAL 55 Cb -0.10 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 3mdk s VAL 55 CO 0.34 -0.36 1.09 -2.16 -0.31 0.00 0.00 175.10 173.69 3mdk s PRO 56 N -2.51 4.31 -0.13 4.82 0.04 -1.26 -4.66 135.00 135.59 3mdk s PRO 56 Ca 0.08 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3mdk s PRO 56 Cb -0.06 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.71 3mdk s PRO 56 CO 0.03 -0.05 -0.21 0.99 0.04 0.00 0.00 177.00 177.79 3mdk s THR 57 N -1.45 2.01 -0.23 1.26 2.01 -0.58 -4.08 115.64 114.58 3mdk s THR 57 Ca 0.53 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3mdk s THR 57 Cb -0.27 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3mdk s THR 57 CO 0.34 0.54 0.12 -0.22 -0.69 0.00 0.00 174.62 174.71 3mdk s LEU 58 N 0.80 3.94 0.11 4.42 2.96 0.23 -0.62 118.68 130.51 3mdk s LEU 58 Ca -0.08 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3mdk s LEU 58 Cb -0.16 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3mdk s LEU 58 CO -0.01 0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3mdk s VAL 59 N 0.96 1.58 0.34 1.68 1.01 -0.15 -0.78 120.40 125.04 3mdk s VAL 59 Ca 0.06 -1.61 -0.13 0.00 0.00 0.00 0.00 61.98 60.30 3mdk s VAL 59 Cb -0.13 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3mdk s VAL 59 CO 0.03 -0.19 0.66 -0.62 0.00 0.00 0.00 175.10 174.98 3mdk s ASP 60 N -2.12 0.17 0.18 3.32 -1.08 -0.74 -0.67 116.67 115.72 3mdk s ASP 60 Ca 0.07 -1.11 -0.33 0.00 -0.52 0.00 0.00 52.55 50.66 3mdk s ASP 60 Cb -0.08 0.75 -0.14 0.00 -1.46 0.00 0.00 42.92 41.99 3mdk s ASP 60 CO 0.04 -1.47 1.55 -2.11 0.52 0.00 0.00 175.17 173.71 3mdk n ARG 61 N -0.51 2.16 -2.28 4.34 0.00 -1.25 -0.88 116.66 118.25 3mdk n ARG 61 Ca -0.05 0.78 -0.16 0.00 -0.00 0.00 0.00 57.85 58.42 3mdk n ARG 61 Cb 0.60 -2.53 -0.02 0.00 -0.00 0.00 0.00 32.46 30.52 3mdk n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3mdk n ASP 62 N 3.19 -4.70 -3.76 2.89 8.00 -1.26 -4.96 116.55 115.95 3mdk n ASP 62 Ca 0.16 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.66 3mdk n ASP 62 Cb 0.30 -4.00 -0.15 0.00 -0.02 0.00 0.00 41.12 37.25 3mdk n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3mdk s LEU 63 N -5.55 0.94 -0.18 0.64 2.96 -0.06 -5.11 118.68 112.33 3mdk s LEU 63 Ca 0.00 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3mdk s LEU 63 Cb 0.00 0.11 0.08 0.00 0.50 0.00 0.00 46.19 46.88 3mdk s LEU 63 CO 0.00 -0.14 0.16 0.00 -1.32 0.00 0.00 176.35 175.06 3mdk s ALA 64 N 1.09 0.01 0.00 5.97 0.00 -1.26 -1.80 121.76 125.79 3mdk s ALA 64 Ca -0.09 0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3mdk s ALA 64 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 3mdk s ALA 64 CO -0.04 -1.13 -0.18 -0.51 0.00 0.00 0.00 175.76 173.89 3mdk s LEU 65 N 2.25 2.07 0.00 0.00 1.43 0.04 -4.98 118.68 119.49 3mdk s LEU 65 Ca 0.05 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3mdk s LEU 65 Cb -0.15 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 3mdk s LEU 65 CO -0.10 0.20 0.43 0.00 0.23 0.00 0.00 176.35 177.10 3mdk n TYR 66 N 2.41 -1.25 -1.47 0.29 4.11 -1.26 0.75 117.16 120.73 3mdk n TYR 66 Ca -0.16 -2.50 0.00 0.00 -0.00 0.00 0.00 57.90 55.25 3mdk n TYR 66 Cb 0.54 0.47 0.00 0.00 -0.00 0.00 0.00 39.34 40.35 3mdk n TYR 66 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 3mdk n GLU 67 N -0.60 -2.44 -0.33 -3.48 0.00 -1.26 -4.52 120.64 108.01 3mdk n GLU 67 Ca 0.03 2.02 0.13 0.00 0.00 0.00 0.00 57.16 59.35 3mdk n GLU 67 Cb 0.59 -2.26 0.35 0.00 0.00 0.00 0.00 31.44 30.12 3mdk n GLU 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mdk h SER 68 N 1.95 0.74 -0.29 4.31 4.64 -1.91 -1.99 113.55 121.00 3mdk h SER 68 Ca 0.00 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.22 3mdk h SER 68 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3mdk h SER 68 CO 0.00 0.28 -0.51 0.71 -0.87 0.00 0.00 176.83 176.44 3mdk h THR 69 N 0.73 1.28 -0.54 2.95 1.35 -1.97 -2.94 112.91 113.76 3mdk h THR 69 Ca 0.55 -1.70 0.09 0.00 -0.55 0.00 0.00 66.41 64.80 3mdk h THR 69 Cb 0.90 1.64 -0.07 0.00 -1.73 0.00 0.00 68.15 68.89 3mdk h THR 69 CO -0.33 0.55 0.13 0.58 -0.25 0.00 0.00 175.52 176.21 3mdk h VAL 70 N 0.63 0.72 0.00 6.82 2.07 -1.64 0.52 116.25 125.37 3mdk h VAL 70 Ca 0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3mdk h VAL 70 Cb 1.12 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3mdk h VAL 70 CO 0.12 0.05 0.00 0.52 0.02 0.00 0.00 177.57 178.28 3mdk n VAL 71 N -5.09 0.05 0.00 2.57 0.31 -0.93 -0.66 118.33 114.58 3mdk n VAL 71 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3mdk n VAL 71 Cb 0.26 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3mdk n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mdk n GLU 73 N 0.48 0.00 -0.15 5.55 1.02 0.17 -0.84 120.64 126.87 3mdk n GLU 73 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3mdk n GLU 73 Cb 0.07 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.55 3mdk n GLU 73 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3mdk h TYR 74 N 0.00 0.11 -0.63 -0.32 3.20 -1.11 -1.30 116.97 116.91 3mdk h TYR 74 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3mdk h TYR 74 Cb 0.00 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3mdk h TYR 74 CO 0.00 -0.03 0.20 -0.07 -1.64 0.00 0.00 178.16 176.62 3mdk h LEU 75 N 0.20 0.92 -1.37 2.82 3.38 -1.25 0.23 115.31 120.25 3mdk h LEU 75 Ca 0.24 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3mdk h LEU 75 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3mdk h LEU 75 CO -0.33 0.88 0.44 -0.08 0.09 0.00 0.00 178.44 179.44 3mdk h GLU 76 N 0.91 0.82 0.16 1.13 4.57 -1.71 -1.09 114.58 119.38 3mdk h GLU 76 Ca 0.20 -0.05 -0.33 0.00 -1.18 0.00 0.00 59.36 58.01 3mdk h GLU 76 Cb 0.29 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3mdk h GLU 76 CO -0.01 0.54 -1.61 0.93 -1.18 0.00 0.00 179.01 177.69 3mdk h GLU 77 N 0.85 0.35 -0.11 1.92 5.08 -0.58 -3.31 114.58 118.78 3mdk h GLU 77 Ca 0.25 -0.59 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 3mdk h GLU 77 Cb -0.02 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3mdk h GLU 77 CO -0.06 1.24 -0.63 -0.09 -1.00 0.00 0.00 179.01 178.47 3mdk h ARG 78 N 0.09 0.39 -3.02 2.33 9.65 -0.52 -3.38 114.38 119.92 3mdk h ARG 78 Ca -0.28 -0.28 -0.62 0.00 -1.10 0.00 0.00 59.98 57.70 3mdk h ARG 78 Cb 2.07 0.04 -0.41 0.00 -1.39 0.00 0.00 29.97 30.29 3mdk h ARG 78 CO 0.18 0.89 -0.68 0.71 2.80 0.00 0.00 179.97 183.88 3mdk s TYR 79 N -3.79 2.82 0.51 2.20 2.02 -0.42 -4.99 117.35 115.70 3mdk s TYR 79 Ca -0.06 -2.98 0.34 0.00 -0.37 0.00 0.00 57.07 54.00 3mdk s TYR 79 Cb 0.11 -2.30 1.84 0.00 -0.40 0.00 0.00 41.96 41.21 3mdk s TYR 79 CO 0.82 -0.67 2.21 -1.35 -1.57 0.00 0.00 175.55 174.99 3mdk h PRO 80 N 5.91 0.00 -5.17 -1.71 0.11 -1.76 -3.42 132.00 125.96 3mdk h PRO 80 Ca 0.09 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.56 3mdk h PRO 80 Cb 0.84 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.73 3mdk h PRO 80 CO 0.61 0.04 -0.65 -1.01 -0.21 0.00 0.00 178.00 176.78 3mdk s HIS 81 N -4.25 3.06 0.57 0.65 3.76 -1.26 -2.22 115.29 115.61 3mdk s HIS 81 Ca -0.04 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 3mdk s HIS 81 Cb 0.13 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.78 3mdk s HIS 81 CO 0.52 -0.16 0.86 -1.25 -0.85 0.00 0.00 174.74 173.85 3mdk s PRO 82 N 0.83 2.80 -0.06 8.40 0.04 -1.26 -4.75 135.00 140.99 3mdk s PRO 82 Ca 0.01 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.52 3mdk s PRO 82 Cb -0.14 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3mdk s PRO 82 CO 0.02 -0.70 1.09 -1.25 0.04 0.00 0.00 177.00 176.21 3mdk s PRO 83 N -4.91 4.41 -0.71 0.56 0.04 -0.94 -4.92 135.00 128.53 3mdk s PRO 83 Ca 0.54 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3mdk s PRO 83 Cb -0.10 -3.53 0.38 0.00 0.04 0.00 0.00 34.50 31.29 3mdk s PRO 83 CO 0.43 -0.34 1.77 1.28 0.04 0.00 0.00 177.00 180.18 3mdk n LEU 84 N 4.89 6.75 -4.93 -3.56 4.77 -1.26 -4.79 117.00 118.87 3mdk n LEU 84 Ca 0.09 -4.87 -0.27 0.00 -0.03 0.00 0.00 56.01 50.94 3mdk n LEU 84 Cb 0.48 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3mdk n LEU 84 CO 0.53 1.86 0.02 -2.16 -1.33 0.00 0.00 177.39 176.32 3mdk s PRO 86 N -3.90 3.51 -0.03 3.23 0.04 -1.26 -0.90 135.00 135.69 3mdk s PRO 86 Ca 0.52 -0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.28 3mdk s PRO 86 Cb 0.44 -2.84 -0.24 0.00 0.04 0.00 0.00 34.50 31.90 3mdk s PRO 86 CO -0.30 0.39 0.71 -0.24 0.04 0.00 0.00 177.00 177.60 3mdk h VAL 87 N 1.48 0.93 -3.66 -0.36 3.04 -2.00 -3.41 116.25 112.27 3mdk h VAL 87 Ca -0.48 -2.74 -0.49 0.00 -1.01 0.00 0.00 66.70 61.97 3mdk h VAL 87 Cb 1.19 2.50 0.02 0.00 -2.01 0.00 0.00 31.29 32.99 3mdk h VAL 87 CO 0.67 0.61 0.12 -0.31 -1.01 0.00 0.00 177.57 177.65 3mdk s TYR 88 N -2.61 3.52 0.29 3.17 2.02 -1.26 -4.91 117.35 117.58 3mdk s TYR 88 Ca -0.06 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.59 3mdk s TYR 88 Cb 0.08 -2.39 0.45 0.00 -0.40 0.00 0.00 41.96 39.70 3mdk s TYR 88 CO 0.82 -0.21 1.81 -1.00 -1.57 0.00 0.00 175.55 175.41 3mdk h PRO 89 N 0.72 0.69 0.30 -1.71 0.13 -1.98 -0.86 132.00 129.28 3mdk h PRO 89 Ca -0.47 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.48 3mdk h PRO 89 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3mdk h PRO 89 CO 0.63 0.69 -0.14 0.28 -0.23 0.00 0.00 178.00 179.23 3mdk h VAL 90 N 0.65 0.70 -0.89 1.56 2.07 -1.99 -0.95 116.25 117.41 3mdk h VAL 90 Ca 0.14 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3mdk h VAL 90 Cb 0.38 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3mdk h VAL 90 CO 0.01 0.12 0.56 0.00 0.02 0.00 0.00 177.57 178.29 3mdk h ALA 91 N -0.22 1.21 -0.47 1.67 0.00 -1.95 -0.06 119.26 119.43 3mdk h ALA 91 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3mdk h ALA 91 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3mdk h ALA 91 CO 0.07 0.36 0.15 -0.09 0.00 0.00 0.00 179.25 179.73 3mdk h ARG 92 N 1.06 0.73 -0.68 0.00 2.43 -1.13 -0.56 114.38 116.23 3mdk h ARG 92 Ca 0.37 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3mdk h ARG 92 Cb 0.10 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3mdk h ARG 92 CO -0.15 0.70 0.23 0.78 -1.51 0.00 0.00 179.97 180.02 3mdk h GLY 93 N 0.63 1.12 1.11 2.80 0.00 -0.68 -0.82 103.07 107.23 3mdk h GLY 93 Ca 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3mdk h GLY 93 CO -0.00 0.61 0.51 3.43 0.00 0.00 0.00 176.54 181.08 3mdk h ASN 94 N 0.99 1.04 -0.39 0.19 2.35 -0.63 0.34 115.58 119.47 3mdk h ASN 94 Ca 0.22 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3mdk h ASN 94 Cb 0.27 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3mdk h ASN 94 CO -0.01 0.81 -0.04 0.28 -1.65 0.00 0.00 177.43 176.82 3mdk h SER 95 N 1.19 0.72 -0.45 5.81 0.02 -0.84 -1.59 113.55 118.40 3mdk h SER 95 Ca 0.31 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3mdk h SER 95 Cb -0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3mdk h SER 95 CO -0.06 0.88 0.01 0.03 -1.14 0.00 0.00 176.83 176.56 3mdk h ARG 96 N 0.54 0.86 -0.46 3.45 3.08 -0.95 -2.82 114.38 118.07 3mdk h ARG 96 Ca 0.11 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3mdk h ARG 96 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3mdk h ARG 96 CO 0.03 0.85 0.30 1.25 -1.07 0.00 0.00 179.97 181.32 3mdk h LEU 97 N 0.80 0.54 -2.35 3.04 5.85 -0.85 -0.88 115.31 121.46 3mdk h LEU 97 Ca 0.15 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3mdk h LEU 97 Cb 0.46 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3mdk h LEU 97 CO 0.02 0.41 0.00 -0.11 -0.34 0.00 0.00 178.44 178.42 3mdk n LEU 98 N -4.75 0.96 0.00 2.25 7.94 -0.61 -0.57 117.00 122.22 3mdk n LEU 98 Ca 0.02 -0.46 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 3mdk n LEU 98 Cb 0.03 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 43.81 3mdk n LEU 98 CO 0.35 0.17 0.00 1.57 -1.11 0.00 0.00 177.39 178.37 3mdk n HIS 100 N 1.07 0.00 -0.05 1.96 -0.00 -0.34 -0.68 115.22 117.18 3mdk n HIS 100 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 3mdk n HIS 100 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.06 3mdk n HIS 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mdk h ARG 101 N 0.00 0.67 -0.58 1.57 3.08 -1.11 -1.66 114.38 116.36 3mdk h ARG 101 Ca 0.00 -0.47 0.11 0.00 0.07 0.00 0.00 59.98 59.68 3mdk h ARG 101 Cb 0.00 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 3mdk h ARG 101 CO 0.00 1.09 0.11 0.82 -1.07 0.00 0.00 179.97 180.93 3mdk h ILE 102 N 0.37 0.65 0.32 2.04 2.04 -1.16 0.38 117.51 122.14 3mdk h ILE 102 Ca -0.01 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3mdk h ILE 102 Cb 1.12 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3mdk h ILE 102 CO 0.11 0.04 -0.23 -0.61 0.00 0.00 0.00 178.15 177.47 3mdk h GLN 103 N 0.24 -0.52 -0.14 2.37 5.75 -1.76 -0.40 115.11 120.66 3mdk h GLN 103 Ca 0.30 0.04 -0.20 0.00 -0.15 0.00 0.00 58.65 58.64 3mdk h GLN 103 Cb 0.44 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3mdk h GLN 103 CO -0.39 -0.35 -0.71 -0.09 -2.65 0.00 0.00 178.83 174.64 3mdk h ARG 104 N -0.54 0.61 0.00 1.69 2.43 -1.01 -0.44 114.38 117.11 3mdk h ARG 104 Ca -0.03 -0.47 -0.25 0.00 -0.81 0.00 0.00 59.98 58.42 3mdk h ARG 104 Cb 0.47 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3mdk h ARG 104 CO 0.00 1.09 -1.48 -0.44 -1.51 0.00 0.00 179.97 177.63 3mdk h ASP 105 N 0.43 0.00 0.00 -3.80 3.32 -0.23 -3.40 116.42 112.73 3mdk h ASP 105 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3mdk h ASP 105 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3mdk h ASP 105 CO 0.14 0.92 -0.65 0.79 -1.72 0.00 0.00 179.24 178.72 3mdk n TRP 106 N -3.09 -0.07 -0.21 4.55 8.01 -0.33 -4.58 117.44 121.72 3mdk n TRP 106 Ca -0.12 0.01 -0.06 0.00 -1.31 0.00 0.00 57.50 56.02 3mdk n TRP 106 Cb 0.99 0.05 0.04 0.00 -2.01 0.00 0.00 31.31 30.38 3mdk n TRP 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mdk h ALA 108 N 1.21 1.49 -0.19 0.00 0.00 -1.30 -0.44 119.26 120.04 3mdk h ALA 108 Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3mdk h ALA 108 Cb -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3mdk h ALA 108 CO -0.05 0.33 -0.30 -0.07 0.00 0.00 0.00 179.25 179.16 3mdk h LEU 109 N 1.06 0.60 -0.99 0.00 3.38 -1.68 -1.82 115.31 115.87 3mdk h LEU 109 Ca 0.44 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3mdk h LEU 109 Cb 0.29 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3mdk h LEU 109 CO -0.19 1.01 0.63 0.00 0.09 0.00 0.00 178.44 179.98 3mdk h ALA 110 N 0.61 1.42 -0.23 1.53 0.00 -0.94 -1.08 119.26 120.57 3mdk h ALA 110 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3mdk h ALA 110 Cb 0.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3mdk h ALA 110 CO 0.07 0.36 -0.37 -0.44 0.00 0.00 0.00 179.25 178.87 3mdk h ASP 111 N 1.10 0.53 -0.59 0.00 3.32 -0.91 -1.83 116.42 118.04 3mdk h ASP 111 Ca 0.45 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3mdk h ASP 111 Cb 0.28 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3mdk h ASP 111 CO -0.21 0.85 -0.02 0.74 -1.72 0.00 0.00 179.24 178.89 3mdk h THR 112 N 0.43 1.27 -0.21 0.35 2.02 -0.77 -1.72 112.91 114.28 3mdk h THR 112 Ca 0.04 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 3mdk h THR 112 Cb 0.84 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3mdk h THR 112 CO 0.07 0.43 -0.26 0.58 0.37 0.00 0.00 175.52 176.70 3mdk h VAL 113 N 0.97 1.26 0.00 3.16 2.07 -0.44 -3.22 116.25 120.05 3mdk h VAL 113 Ca 0.17 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 3mdk h VAL 113 Cb 0.58 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3mdk h VAL 113 CO 0.03 0.39 -1.28 -0.07 0.02 0.00 0.00 177.57 176.67 3mdk h LEU 114 N 0.35 0.00 -9.11 2.57 3.38 -1.24 -3.46 115.31 107.79 3mdk h LEU 114 Ca 0.05 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.46 3mdk h LEU 114 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3mdk h LEU 114 CO 0.05 0.43 0.94 -0.62 0.09 0.00 0.00 178.44 179.33 3mdk s ASP 115 N -5.71 6.85 0.00 -0.43 -1.08 -0.66 -4.89 116.67 110.75 3mdk s ASP 115 Ca -0.02 1.63 0.09 0.00 -0.52 0.00 0.00 52.55 53.73 3mdk s ASP 115 Cb 0.09 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.38 3mdk s ASP 115 CO 0.80 -0.85 1.27 -0.81 0.52 0.00 0.00 175.17 176.10 3mdk n PRO 116 N 6.82 0.01 0.20 4.34 -0.04 -1.26 -1.72 135.00 143.35 3mdk n PRO 116 Ca 0.14 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3mdk n PRO 116 Cb 0.45 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.62 3mdk n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mdk h ARG 117 N 0.00 0.00 -6.91 0.54 3.08 -1.93 -3.46 114.38 105.70 3mdk h ARG 117 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3mdk h ARG 117 Cb 0.14 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.30 3mdk h ARG 117 CO 0.00 0.00 0.73 0.43 -1.07 0.00 0.00 179.97 180.06 3mdk n SER 118 N -2.94 3.64 -4.76 7.04 7.64 -0.70 -5.01 113.62 118.53 3mdk n SER 118 Ca 0.04 1.22 -0.31 0.00 1.01 0.00 0.00 58.87 60.84 3mdk n SER 118 Cb 0.51 -1.60 0.10 0.00 -1.01 0.00 0.00 64.21 62.21 3mdk n SER 118 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mdk s SER 119 N -0.15 4.29 0.12 6.43 1.04 -1.26 -4.87 113.70 119.30 3mdk s SER 119 Ca 0.54 1.69 -0.31 0.00 0.48 0.00 0.00 55.95 58.34 3mdk s SER 119 Cb -0.49 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.14 3mdk s SER 119 CO 0.63 -2.15 1.58 -0.08 0.98 0.00 0.00 173.24 174.20 3mdk h GLU 120 N -1.21 -0.57 -0.62 4.02 4.22 -1.99 -2.36 114.58 116.07 3mdk h GLU 120 Ca -0.45 0.04 0.12 0.00 0.08 0.00 0.00 59.36 59.15 3mdk h GLU 120 Cb 1.25 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.51 3mdk h GLU 120 CO 0.53 -0.38 -0.21 0.00 -2.18 0.00 0.00 179.01 176.77 3mdk h ALA 121 N -0.11 0.29 -0.57 2.92 0.00 -1.99 -1.73 119.26 118.07 3mdk h ALA 121 Ca 0.04 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3mdk h ALA 121 Cb 0.67 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3mdk h ALA 121 CO -0.33 -0.50 0.30 0.00 0.00 0.00 0.00 179.25 178.73 3mdk h ALA 122 N 1.46 0.74 -0.14 0.00 0.00 -1.86 0.30 119.26 119.76 3mdk h ALA 122 Ca 0.29 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3mdk h ALA 122 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mdk h ALA 122 CO -0.67 -0.03 -0.01 -0.09 0.00 0.00 0.00 179.25 178.46 3mdk h ARG 123 N 0.58 0.26 -0.00 0.00 2.43 -1.03 -1.01 114.38 115.60 3mdk h ARG 123 Ca 0.25 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3mdk h ARG 123 Cb 0.14 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3mdk h ARG 123 CO -0.16 0.51 0.00 1.79 -1.51 0.00 0.00 179.97 180.60 3mdk h THR 124 N -0.02 1.16 -0.63 0.20 1.35 -1.08 0.61 112.91 114.50 3mdk h THR 124 Ca 0.04 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 65.38 3mdk h THR 124 Cb 0.40 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 3mdk h THR 124 CO 0.01 0.13 0.25 -0.33 -0.25 0.00 0.00 175.52 175.33 3mdk h GLU 125 N -0.20 0.95 -0.65 4.72 5.08 -0.95 -0.63 114.58 122.90 3mdk h GLU 125 Ca 0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3mdk h GLU 125 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3mdk h GLU 125 CO -0.00 0.80 0.37 0.00 -1.00 0.00 0.00 179.01 179.18 3mdk h ALA 126 N 1.10 0.83 -0.48 3.43 0.00 -1.08 0.27 119.26 123.33 3mdk h ALA 126 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mdk h ALA 126 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mdk h ALA 126 CO -0.02 0.32 0.26 -0.09 0.00 0.00 0.00 179.25 179.73 3mdk h ARG 127 N 0.88 0.67 -0.41 0.00 2.43 -0.36 0.16 114.38 117.75 3mdk h ARG 127 Ca 0.23 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3mdk h ARG 127 Cb 0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3mdk h ARG 127 CO -0.04 0.53 0.07 -0.22 -1.51 0.00 0.00 179.97 178.80 3mdk h LYS 128 N 0.64 0.67 -0.75 0.20 3.64 -0.78 -2.07 116.57 118.12 3mdk h LYS 128 Ca 0.17 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3mdk h LYS 128 Cb 0.06 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3mdk h LYS 128 CO -0.03 0.72 0.26 0.00 -2.27 0.00 0.00 179.45 178.13 3mdk h ALA 129 N 0.93 0.98 -0.33 5.00 0.00 -0.11 -1.28 119.26 124.45 3mdk h ALA 129 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3mdk h ALA 129 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3mdk h ALA 129 CO 0.01 0.64 0.04 1.25 0.00 0.00 0.00 179.25 181.18 3mdk h LEU 130 N 1.10 0.54 0.02 0.00 5.85 -0.61 -0.94 115.31 121.26 3mdk h LEU 130 Ca 0.24 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3mdk h LEU 130 Cb 0.27 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3mdk h LEU 130 CO -0.01 0.68 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.59 3mdk h ARG 131 N 0.38 -0.16 -0.52 1.25 2.43 -1.09 -1.59 114.38 115.08 3mdk h ARG 131 Ca 0.10 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3mdk h ARG 131 Cb 0.38 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3mdk h ARG 131 CO 0.01 -0.11 0.31 0.93 -1.51 0.00 0.00 179.97 179.60 3mdk h GLU 132 N -0.17 0.71 -0.17 0.20 5.08 -1.15 -1.37 114.58 117.71 3mdk h GLU 132 Ca 0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3mdk h GLU 132 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3mdk h GLU 132 CO -0.08 0.50 -0.05 1.03 -1.00 0.00 0.00 179.01 179.42 3mdk h SER 133 N 0.72 0.34 -0.60 1.42 0.87 -0.83 0.31 113.55 115.78 3mdk h SER 133 Ca 0.19 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3mdk h SER 133 Cb -0.02 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3mdk h SER 133 CO -0.03 0.64 0.19 -0.07 -0.53 0.00 0.00 176.83 177.03 3mdk h LEU 134 N 0.05 0.90 -0.37 2.23 3.38 -1.14 -0.25 115.31 120.09 3mdk h LEU 134 Ca 0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3mdk h LEU 134 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3mdk h LEU 134 CO 0.02 0.84 0.22 0.74 0.09 0.00 0.00 178.44 180.36 3mdk h THR 135 N 0.93 1.12 -0.42 0.22 2.02 -1.09 -2.16 112.91 113.53 3mdk h THR 135 Ca 0.21 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3mdk h THR 135 Cb 0.27 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3mdk h THR 135 CO -0.01 0.12 0.18 1.23 0.37 0.00 0.00 175.52 177.41 3mdk h GLY 136 N 0.49 0.56 2.00 2.16 0.00 -0.19 -2.53 103.07 105.56 3mdk h GLY 136 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3mdk h GLY 136 CO -0.02 0.06 0.00 1.55 0.00 0.00 0.00 176.54 178.13 3mdk n VAL 137 N -4.97 0.31 -0.29 4.60 3.14 -0.17 -4.26 118.33 116.69 3mdk n VAL 137 Ca 0.03 -0.07 0.07 0.00 -2.96 0.00 0.00 64.34 61.40 3mdk n VAL 137 Cb 0.13 -0.59 0.22 0.00 -1.06 0.00 0.00 33.84 32.54 3mdk n VAL 137 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3mdk h SER 138 N 0.00 0.47 -0.29 6.55 0.87 -0.93 -1.22 113.55 119.00 3mdk h SER 138 Ca 0.00 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.74 3mdk h SER 138 Cb 0.56 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3mdk h SER 138 CO 0.00 0.19 0.21 -0.65 -0.53 0.00 0.00 176.83 176.05 3mdk h PRO 139 N 0.57 0.00 0.00 2.24 0.11 -1.79 0.41 132.00 133.55 3mdk h PRO 139 Ca 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 3mdk h PRO 139 Cb 0.67 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 3mdk h PRO 139 CO -0.38 0.00 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.34 3mdk h LEU 140 N 0.00 0.00 0.00 2.35 3.38 -1.54 -1.51 115.31 117.99 3mdk h LEU 140 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3mdk h LEU 140 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3mdk h LEU 140 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3mdk n PHE 141 N -3.54 0.00 1.47 1.13 3.72 0.13 -2.03 117.46 118.34 3mdk n PHE 141 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3mdk n PHE 141 Cb 0.08 -0.37 0.55 0.00 -0.94 0.00 0.00 39.48 38.80 3mdk n PHE 141 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mdk n SER 142 N -1.37 1.01 -0.05 4.37 7.64 -0.57 -4.29 113.62 120.37 3mdk n SER 142 Ca 0.08 -1.10 -0.04 0.00 1.01 0.00 0.00 58.87 58.82 3mdk n SER 142 Cb 0.19 0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 3mdk n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mdk n GLU 143 N -0.39 1.49 -4.14 1.43 1.02 -0.86 -4.99 120.64 114.20 3mdk n GLU 143 Ca 0.17 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 3mdk n GLU 143 Cb 0.31 -1.35 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 3mdk n GLU 143 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3mdk s PHE 144 N -2.48 0.94 0.30 -0.32 0.08 -1.24 -5.00 117.98 110.26 3mdk s PHE 144 Ca -0.06 -0.61 0.03 0.00 0.12 0.00 0.00 56.93 56.41 3mdk s PHE 144 Cb 0.05 -0.53 0.49 0.00 -0.57 0.00 0.00 43.02 42.46 3mdk s PHE 144 CO 0.57 -0.03 1.80 0.00 -0.10 0.00 0.00 175.22 177.45 3mdk h ALA 145 N 3.90 1.23 -3.07 5.36 0.00 -1.83 -3.45 119.26 121.40 3mdk h ALA 145 Ca -0.37 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3mdk h ALA 145 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mdk h ALA 145 CO 0.48 0.50 0.00 0.00 0.00 0.00 0.00 179.25 180.24 3mdk n PHE 147 N -0.02 0.67 -0.12 0.00 7.35 -1.26 -4.79 117.46 119.28 3mdk n PHE 147 Ca 0.00 -0.99 0.01 0.00 -0.76 0.00 0.00 57.45 55.71 3mdk n PHE 147 Cb 0.00 -0.49 -0.00 0.00 0.35 0.00 0.00 39.48 39.33 3mdk n PHE 147 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3mdk n SER 149 N 0.41 -0.67 -0.13 -2.13 2.88 -1.26 -4.84 113.62 107.87 3mdk n SER 149 Ca 0.13 0.14 0.15 0.00 -1.33 0.00 0.00 58.87 57.96 3mdk n SER 149 Cb 0.68 -0.01 0.74 0.00 -0.75 0.00 0.00 64.21 64.87 3mdk n SER 149 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3mdk n ASP 150 N -1.93 0.44 -4.48 -3.46 8.00 -1.26 -3.64 116.55 110.21 3mdk n ASP 150 Ca -0.00 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.33 3mdk n ASP 150 Cb 0.05 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3mdk n ASP 150 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mdk s GLU 151 N -2.22 2.16 0.23 -1.24 0.41 -1.26 -4.48 118.70 112.30 3mdk s GLU 151 Ca 0.38 -0.93 -0.31 0.00 -0.41 0.00 0.00 54.97 53.69 3mdk s GLU 151 Cb 0.21 -2.25 -0.11 0.00 -1.78 0.00 0.00 34.13 30.20 3mdk s GLU 151 CO 0.41 0.55 1.59 -1.14 -0.49 0.00 0.00 175.26 176.18 3mdk s GLN 152 N -1.44 4.18 0.28 1.61 2.00 -1.26 -4.75 119.66 120.28 3mdk s GLN 152 Ca 0.15 2.47 -0.13 0.00 -2.00 0.00 0.00 55.36 55.85 3mdk s GLN 152 Cb -0.11 -3.09 0.01 0.00 0.80 0.00 0.00 33.01 30.62 3mdk s GLN 152 CO 0.06 -0.61 0.55 -1.54 -0.50 0.00 0.00 175.29 173.25 3mdk s SER 153 N 0.82 0.05 0.57 6.67 1.04 -1.26 -4.47 113.70 117.11 3mdk s SER 153 Ca 0.67 -0.99 0.25 0.00 0.48 0.00 0.00 55.95 56.36 3mdk s SER 153 Cb -0.46 0.65 1.63 0.00 0.10 0.00 0.00 66.02 67.94 3mdk s SER 153 CO 0.38 -1.27 2.22 -0.07 0.98 0.00 0.00 173.24 175.49 3mdk h LEU 154 N 2.16 0.00 -0.18 2.42 3.38 -1.40 -1.20 115.31 120.49 3mdk h LEU 154 Ca -0.26 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.76 3mdk h LEU 154 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 3mdk h LEU 154 CO 0.35 0.00 -0.27 0.58 0.09 0.00 0.00 178.44 179.19 3mdk h VAL 155 N 0.00 0.36 -0.96 1.22 2.07 -1.88 -1.08 116.25 115.99 3mdk h VAL 155 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3mdk h VAL 155 Cb 0.00 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 3mdk h VAL 155 CO 0.00 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.67 3mdk h ASP 156 N -0.31 1.09 0.19 0.57 3.32 -1.57 -1.75 116.42 117.96 3mdk h ASP 156 Ca 0.11 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3mdk h ASP 156 Cb 0.49 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3mdk h ASP 156 CO -0.35 0.78 -0.16 0.00 -1.72 0.00 0.00 179.24 177.79 3mdk h LEU 159 N 0.20 0.65 -0.89 0.00 5.85 -0.77 -3.39 115.31 116.95 3mdk h LEU 159 Ca -0.15 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.79 3mdk h LEU 159 Cb 1.85 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 3mdk h LEU 159 CO 0.21 1.42 0.56 -0.07 -0.34 0.00 0.00 178.44 180.22 3mdk h LEU 160 N -0.05 0.89 -1.63 2.25 3.38 -1.12 -1.62 115.31 117.42 3mdk h LEU 160 Ca -0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3mdk h LEU 160 Cb 1.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3mdk h LEU 160 CO 0.17 0.57 0.02 -0.65 0.09 0.00 0.00 178.44 178.65 3mdk h PRO 161 N 1.03 0.25 -0.28 1.13 0.11 -1.77 0.25 132.00 132.72 3mdk h PRO 161 Ca 0.38 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.37 3mdk h PRO 161 Cb 0.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3mdk h PRO 161 CO -0.17 0.26 -0.17 0.82 -0.21 0.00 0.00 178.00 178.53 3mdk h ILE 162 N 0.25 1.30 -0.18 4.15 1.08 -1.51 -3.10 117.51 119.49 3mdk h ILE 162 Ca 0.06 -1.29 -0.09 0.00 -0.39 0.00 0.00 64.86 63.15 3mdk h ILE 162 Cb 0.14 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 3mdk h ILE 162 CO 0.00 0.41 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.50 3mdk h LEU 163 N 0.35 0.36 -1.72 1.44 3.38 -1.02 -1.40 115.31 116.69 3mdk h LEU 163 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3mdk h LEU 163 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3mdk h LEU 163 CO 0.05 0.65 0.06 -0.25 0.09 0.00 0.00 178.44 179.04 3mdk h TRP 164 N 0.31 0.24 -0.40 1.13 2.91 -0.99 -2.85 115.95 116.29 3mdk h TRP 164 Ca 0.04 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3mdk h TRP 164 Cb 0.69 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 3mdk h TRP 164 CO 0.02 0.20 0.00 0.54 -1.03 0.00 0.00 178.44 178.17 3mdk n ARG 165 N -4.45 1.93 -0.12 2.65 1.74 -0.54 -4.49 116.66 113.38 3mdk n ARG 165 Ca -0.00 -1.45 -0.07 0.00 -0.77 0.00 0.00 57.85 55.56 3mdk n ARG 165 Cb 0.12 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3mdk n ARG 165 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3mdk h LEU 166 N 2.38 0.29 -0.76 0.55 3.38 -1.41 -0.55 115.31 119.19 3mdk h LEU 166 Ca 0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3mdk h LEU 166 Cb 0.54 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3mdk h LEU 166 CO 0.00 0.21 0.43 -0.65 0.09 0.00 0.00 178.44 178.52 3mdk h PRO 167 N 0.40 0.74 0.00 1.13 0.11 -1.79 -1.11 132.00 131.49 3mdk h PRO 167 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3mdk h PRO 167 Cb 0.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3mdk h PRO 167 CO -0.11 0.49 0.00 -0.39 -0.21 0.00 0.00 178.00 177.78 3mdk h VAL 168 N 0.77 0.00 -0.09 3.15 -1.51 -1.69 -2.07 116.25 114.80 3mdk h VAL 168 Ca 0.35 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3mdk h VAL 168 Cb 0.26 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3mdk h VAL 168 CO -0.21 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.31 3mdk n LEU 169 N -2.65 1.46 -2.85 4.19 4.77 -0.28 -4.94 117.00 116.71 3mdk n LEU 169 Ca 0.02 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.24 3mdk n LEU 169 Cb 0.30 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3mdk n LEU 169 CO 0.25 0.28 0.08 0.61 -1.33 0.00 0.00 177.39 177.27 3mdk n GLY 170 N 1.13 -0.36 3.19 -0.72 0.00 -0.78 -4.94 105.19 102.71 3mdk n GLY 170 Ca 0.18 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3mdk n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mdk s ILE 171 N -3.16 1.79 -0.03 -0.61 1.01 -0.64 -5.04 121.20 114.52 3mdk s ILE 171 Ca 0.35 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 60.16 3mdk s ILE 171 Cb -0.16 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3mdk s ILE 171 CO 0.44 0.50 -0.17 -1.61 0.00 0.00 0.00 174.94 174.10 3mdk s GLU 172 N 0.18 1.61 0.22 2.79 2.02 -1.26 -4.02 118.70 120.25 3mdk s GLU 172 Ca -0.11 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.17 3mdk s GLU 172 Cb -0.15 -1.47 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 3mdk s GLU 172 CO 0.05 0.30 0.54 -0.51 0.02 0.00 0.00 175.26 175.66 3mdk s LEU 173 N -0.16 4.17 0.81 1.80 1.43 -1.26 -5.05 118.68 120.42 3mdk s LEU 173 Ca 0.01 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 3mdk s LEU 173 Cb -0.09 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.56 3mdk s LEU 173 CO 0.01 -0.07 1.16 -2.16 0.23 0.00 0.00 176.35 175.52 3mdk s PRO 174 N -2.81 1.82 0.26 1.29 0.04 -1.26 -4.94 135.00 129.40 3mdk s PRO 174 Ca 0.47 -0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.41 3mdk s PRO 174 Cb -0.11 -1.99 0.45 0.00 0.04 0.00 0.00 34.50 32.88 3mdk s PRO 174 CO 0.21 -1.63 1.84 0.07 0.04 0.00 0.00 177.00 177.54 3mdk h ARG 175 N -1.02 0.97 0.00 4.56 -0.00 -2.03 -1.31 114.38 115.54 3mdk h ARG 175 Ca -0.45 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.47 3mdk h ARG 175 Cb 1.31 -0.22 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 3mdk h ARG 175 CO 0.60 0.64 0.13 0.00 -0.00 0.00 0.00 179.97 181.34 3mdk n GLN 176 N -4.62 0.06 -0.48 0.08 0.00 -1.26 -0.96 117.38 110.20 3mdk n GLN 176 Ca 0.16 0.51 0.05 0.00 0.00 0.00 0.00 57.00 57.72 3mdk n GLN 176 Cb 0.27 -1.83 0.24 0.00 0.00 0.00 0.00 30.24 28.91 3mdk n GLN 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mdk n ALA 177 N -1.54 3.13 -0.31 2.61 0.00 -0.50 -4.63 120.51 119.27 3mdk n ALA 177 Ca -0.01 -1.09 0.09 0.00 0.00 0.00 0.00 53.44 52.44 3mdk n ALA 177 Cb 0.15 -1.05 0.21 0.00 0.00 0.00 0.00 19.45 18.76 3mdk n ALA 177 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mdk h LYS 178 N 2.53 0.04 -0.63 0.00 3.64 -1.24 -1.13 116.57 119.79 3mdk h LYS 178 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3mdk h LYS 178 Cb 1.22 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 3mdk h LYS 178 CO 0.23 0.03 0.31 -1.35 -2.27 0.00 0.00 179.45 176.40 3mdk h PRO 179 N 0.04 0.54 -0.53 1.90 0.11 -1.82 0.76 132.00 133.01 3mdk h PRO 179 Ca 0.51 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.53 3mdk h PRO 179 Cb 0.95 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3mdk h PRO 179 CO -0.84 0.36 0.11 1.25 -0.21 0.00 0.00 178.00 178.66 3mdk h LEU 180 N 0.56 0.83 -0.97 2.35 5.85 -1.40 0.01 115.31 122.54 3mdk h LEU 180 Ca 0.29 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mdk h LEU 180 Cb 0.26 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3mdk h LEU 180 CO -0.22 0.86 0.64 -0.07 -0.34 0.00 0.00 178.44 179.31 3mdk h LEU 181 N 0.76 1.11 -0.49 2.25 3.38 -0.28 -2.59 115.31 119.45 3mdk h LEU 181 Ca 0.16 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3mdk h LEU 181 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3mdk h LEU 181 CO 0.01 0.80 0.09 0.44 0.09 0.00 0.00 178.44 179.86 3mdk h ASP 182 N 1.31 0.78 0.00 -0.43 3.32 0.87 -0.68 116.42 121.58 3mdk h ASP 182 Ca 0.36 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3mdk h ASP 182 Cb -0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.21 3mdk h ASP 182 CO -0.08 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 3mdk n TYR 183 N -4.43 0.00 0.00 4.55 9.36 -0.04 -1.59 117.16 125.01 3mdk n TYR 183 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 3mdk n TYR 183 Cb 0.25 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 3mdk n TYR 183 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3mdk n GLU 185 N 0.51 0.00 -0.07 2.98 2.13 -0.26 -0.28 120.64 125.64 3mdk n GLU 185 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3mdk n GLU 185 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 3mdk n GLU 185 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mdk h ARG 186 N 0.00 0.24 -0.17 5.31 3.08 -1.57 -3.02 114.38 118.24 3mdk h ARG 186 Ca 0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3mdk h ARG 186 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3mdk h ARG 186 CO 0.00 0.16 -0.36 1.96 -1.07 0.00 0.00 179.97 180.66 3mdk h GLN 187 N 0.24 0.55 0.00 0.04 1.08 -0.89 -2.91 115.11 113.22 3mdk h GLN 187 Ca 0.12 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3mdk h GLN 187 Cb 0.07 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3mdk h GLN 187 CO -0.11 0.97 -0.02 0.74 -0.95 0.00 0.00 178.83 179.46 3mdk h PHE 188 N 0.20 0.00 0.00 2.96 0.04 -1.79 -2.17 116.94 116.18 3mdk h PHE 188 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mdk h PHE 188 Cb 0.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3mdk h PHE 188 CO 0.09 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 177.83 3mdk h ALA 189 N 1.98 1.00 -2.85 2.45 0.00 -1.38 -3.37 119.26 117.09 3mdk h ALA 189 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3mdk h ALA 189 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.91 3mdk h ALA 189 CO 0.00 0.00 0.60 1.03 0.00 0.00 0.00 179.25 180.88 3mdk s ARG 190 N -3.29 3.98 0.27 0.00 0.52 -0.82 -4.81 118.95 114.80 3mdk s ARG 190 Ca 0.06 2.11 -0.01 0.00 -0.52 0.00 0.00 55.73 57.38 3mdk s ARG 190 Cb 0.08 -2.75 0.49 0.00 0.52 0.00 0.00 34.95 33.29 3mdk s ARG 190 CO 0.59 -0.46 1.84 0.93 0.02 0.00 0.00 175.30 178.21 3mdk h GLU 191 N 2.68 0.95 -0.24 3.54 3.07 -1.89 -1.05 114.58 121.65 3mdk h GLU 191 Ca -0.49 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.21 3mdk h GLU 191 Cb 1.24 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 3mdk h GLU 191 CO 0.63 0.63 -0.27 -1.35 -1.40 0.00 0.00 179.01 177.24 3mdk h PRO 192 N 0.98 0.46 -0.23 2.33 0.11 -1.90 0.29 132.00 134.04 3mdk h PRO 192 Ca 0.46 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 3mdk h PRO 192 Cb 0.40 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3mdk h PRO 192 CO -0.24 0.70 -0.11 0.35 -0.21 0.00 0.00 178.00 178.48 3mdk h PHE 193 N 0.41 0.56 -1.00 0.65 3.57 -1.64 -2.43 116.94 117.05 3mdk h PHE 193 Ca 0.06 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.51 3mdk h PHE 193 Cb 0.69 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 3mdk h PHE 193 CO 0.02 0.76 0.64 1.96 -2.23 0.00 0.00 178.31 179.46 3mdk h GLN 194 N 0.20 1.06 0.00 1.11 1.08 -0.89 -1.96 115.11 115.71 3mdk h GLN 194 Ca 0.05 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3mdk h GLN 194 Cb 0.61 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3mdk h GLN 194 CO 0.03 0.70 -0.11 0.00 -0.95 0.00 0.00 178.83 178.51 3mdk h ALA 195 N 1.49 1.08 0.00 3.87 0.00 -0.82 -3.11 119.26 121.77 3mdk h ALA 195 Ca 0.46 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3mdk h ALA 195 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mdk h ALA 195 CO -0.21 0.13 -0.33 0.66 0.00 0.00 0.00 179.25 179.50 3mdk h SER 196 N 0.00 0.00 -3.09 0.00 4.64 -0.85 -3.46 113.55 110.79 3mdk h SER 196 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3mdk h SER 196 Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3mdk h SER 196 CO 0.01 0.33 0.68 -0.76 -0.87 0.00 0.00 176.83 176.22 3mdk s LEU 197 N -6.46 4.38 0.78 5.97 1.43 -1.18 -4.71 118.68 118.89 3mdk s LEU 197 Ca 0.04 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.31 3mdk s LEU 197 Cb 0.07 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.79 3mdk s LEU 197 CO 0.71 -0.60 1.12 -0.94 0.23 0.00 0.00 176.35 176.87 3mdk s SER 198 N 1.00 4.50 0.14 2.29 1.04 -1.26 -4.89 113.70 116.52 3mdk s SER 198 Ca 0.62 0.56 -0.14 0.00 0.48 0.00 0.00 55.95 57.47 3mdk s SER 198 Cb -0.35 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.70 3mdk s SER 198 CO 0.31 -1.85 1.61 0.28 0.98 0.00 0.00 173.24 174.57 3mdk h SER 199 N -0.90 0.74 -0.35 7.02 0.02 -1.96 -0.51 113.55 117.61 3mdk h SER 199 Ca -0.45 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.24 3mdk h SER 199 Cb 1.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3mdk h SER 199 CO 0.60 0.83 0.23 0.58 -1.14 0.00 0.00 176.83 177.93 3mdk h VAL 200 N 0.62 1.06 -0.00 2.27 2.07 -1.94 -1.55 116.25 118.77 3mdk h VAL 200 Ca 0.13 -0.15 -0.25 0.00 0.82 0.00 0.00 66.70 67.25 3mdk h VAL 200 Cb 0.42 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3mdk h VAL 200 CO 0.01 0.08 -1.01 -0.33 0.02 0.00 0.00 177.57 176.34 3mdk h GLU 201 N 0.42 0.62 -0.95 1.57 5.08 -1.51 -2.89 114.58 116.92 3mdk h GLU 201 Ca 0.13 -0.66 0.14 0.00 -1.00 0.00 0.00 59.36 57.98 3mdk h GLU 201 Cb 0.02 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 3mdk h GLU 201 CO -0.03 1.26 0.60 0.00 -1.00 0.00 0.00 179.01 179.84 3mdk h ARG 202 N 0.35 0.79 -2.93 2.33 3.08 -0.57 -3.36 114.38 114.07 3mdk h ARG 202 Ca -0.11 -0.05 -0.47 0.00 0.07 0.00 0.00 59.98 59.42 3mdk h ARG 202 Cb 1.65 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 31.53 3mdk h ARG 202 CO 0.19 0.53 2.55 0.39 -1.07 0.00 0.00 179.97 182.55 3mdk n GLU 203 N -4.61 2.76 0.00 0.04 1.02 -0.63 -4.69 120.64 114.53 3mdk n GLU 203 Ca 0.19 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 3mdk n GLU 203 Cb 0.45 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 3mdk n GLU 203 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mdk n ARG 205 N 3.53 0.00 0.00 3.49 1.74 -1.26 -5.09 116.66 119.07 3mdk n ARG 205 Ca 0.59 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3mdk n ARG 205 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 3mdk n ARG 205 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74