#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di4 s THR 2 N 0.00 0.85 0.20 2.61 -4.23 -1.26 -5.28 115.64 108.53 3di4 s THR 2 Ca 0.00 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.19 3di4 s THR 2 Cb 0.00 -0.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.88 3di4 s THR 2 CO 0.00 -0.32 0.50 -1.81 -0.54 0.00 0.00 174.62 172.44 3di4 s ASP 3 N -1.73 6.58 0.23 3.99 1.01 -1.26 -5.11 116.67 120.39 3di4 s ASP 3 Ca -0.05 0.82 0.07 0.00 0.71 0.00 0.00 52.55 54.10 3di4 s ASP 3 Cb -0.09 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3di4 s ASP 3 CO 0.01 -0.03 0.18 0.00 0.21 0.00 0.00 175.17 175.54 3di4 s ALA 4 N -1.77 3.58 0.35 5.23 0.00 -1.26 -5.03 121.76 122.86 3di4 s ALA 4 Ca 0.45 -1.37 0.13 0.00 0.00 0.00 0.00 51.96 51.17 3di4 s ALA 4 Cb -0.11 -1.31 0.96 0.00 0.00 0.00 0.00 23.12 22.65 3di4 s ALA 4 CO 0.22 0.32 1.75 -1.35 0.00 0.00 0.00 175.76 176.70 3di4 h PRO 5 N 1.73 0.51 -0.29 0.00 0.11 -2.04 -2.58 132.00 129.44 3di4 h PRO 5 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3di4 h PRO 5 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3di4 h PRO 5 CO 0.61 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 3di4 n ALA 6 N -2.38 2.46 -1.78 -0.75 0.00 -1.26 -4.97 120.51 111.83 3di4 n ALA 6 Ca 0.26 -0.77 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 3di4 n ALA 6 Cb 0.79 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 3di4 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3di4 s ASP 7 N -1.50 6.11 0.29 0.00 1.01 -0.97 -4.97 116.67 116.63 3di4 s ASP 7 Ca 0.35 2.08 -0.30 0.00 0.71 0.00 0.00 52.55 55.39 3di4 s ASP 7 Cb 0.20 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 3di4 s ASP 7 CO 0.29 -0.95 1.47 0.00 0.21 0.00 0.00 175.17 176.18 3di4 s ALA 8 N -1.82 3.64 0.80 5.23 0.00 -1.26 -4.99 121.76 123.34 3di4 s ALA 8 Ca 0.68 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.94 3di4 s ALA 8 Cb -0.21 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.40 3di4 s ALA 8 CO 0.25 -0.83 1.10 -1.25 0.00 0.00 0.00 175.76 175.03 3di4 s PRO 9 N -0.79 2.10 0.48 0.00 0.04 -1.26 -4.97 135.00 130.61 3di4 s PRO 9 Ca 0.58 0.63 0.17 0.00 0.04 0.00 0.00 61.00 62.42 3di4 s PRO 9 Cb -0.44 -1.92 1.16 0.00 0.04 0.00 0.00 34.50 33.35 3di4 s PRO 9 CO 0.48 -1.60 2.05 1.37 0.04 0.00 0.00 177.00 179.33 3di4 h LEU 10 N -1.08 0.00 -3.52 -3.56 -0.00 -2.07 -1.98 115.31 103.10 3di4 h LEU 10 Ca -0.47 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.18 3di4 h LEU 10 Cb 1.27 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.79 3di4 h LEU 10 CO 0.59 0.13 0.30 -0.90 -0.00 0.00 0.00 178.44 178.56 3di4 n ASP 11 N -4.24 4.42 -0.18 0.17 5.75 -1.26 -4.63 116.55 116.58 3di4 n ASP 11 Ca -0.03 -3.13 -0.02 0.00 -0.01 0.00 0.00 54.79 51.61 3di4 n ASP 11 Cb 0.21 -0.73 0.05 0.00 -1.03 0.00 0.00 41.12 39.61 3di4 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3di4 h ALA 12 N 2.43 0.40 -0.10 2.12 0.00 -1.73 -2.12 119.26 120.26 3di4 h ALA 12 Ca 0.29 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 3di4 h ALA 12 Cb 2.24 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 3di4 h ALA 12 CO 0.71 -0.43 -0.37 -0.44 0.00 0.00 0.00 179.25 178.73 3di4 h ASP 13 N 0.02 0.21 -0.61 0.00 3.32 -1.86 -1.23 116.42 116.26 3di4 h ASP 13 Ca 0.27 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3di4 h ASP 13 Cb 0.42 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3di4 h ASP 13 CO -0.56 0.57 0.25 0.00 -1.72 0.00 0.00 179.24 177.78 3di4 h ALA 14 N 1.45 0.80 -0.44 3.45 0.00 -1.78 0.13 119.26 122.86 3di4 h ALA 14 Ca 0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3di4 h ALA 14 Cb 0.74 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3di4 h ALA 14 CO 0.06 0.41 -0.15 0.00 0.00 0.00 0.00 179.25 179.56 3di4 h ARG 15 N 0.85 0.83 0.00 0.00 3.08 -0.92 -2.44 114.38 115.78 3di4 h ARG 15 Ca 0.21 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3di4 h ARG 15 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3di4 h ARG 15 CO -0.02 0.93 -0.33 0.00 -1.07 0.00 0.00 179.97 179.48 3di4 h ARG 16 N 0.74 0.00 0.00 0.04 3.08 -0.91 -3.15 114.38 114.18 3di4 h ARG 16 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3di4 h ARG 16 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3di4 h ARG 16 CO 0.05 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.28 3di4 h ALA 17 N 1.67 1.00 -2.24 0.04 0.00 -0.48 -3.46 119.26 115.79 3di4 h ALA 17 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3di4 h ALA 17 Cb 0.61 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.45 3di4 h ALA 17 CO 0.04 0.00 0.85 0.28 0.00 0.00 0.00 179.25 180.42 3di4 n VAL 18 N -2.37 0.10 -2.55 0.00 0.31 -1.14 -4.89 118.33 107.80 3di4 n VAL 18 Ca 0.05 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.01 3di4 n VAL 18 Cb 0.41 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 3di4 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3di4 s LYS 19 N 1.42 3.96 0.59 5.55 1.02 -1.26 -5.02 119.74 125.99 3di4 s LYS 19 Ca 0.81 1.42 -0.19 0.00 0.02 0.00 0.00 55.97 58.03 3di4 s LYS 19 Cb -0.68 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3di4 s LYS 19 CO 0.40 -0.31 1.23 -2.14 -0.92 0.00 0.00 175.35 173.61 3di4 s PRO 20 N -2.93 2.99 -0.12 -1.68 0.02 -1.26 -5.04 135.00 126.98 3di4 s PRO 20 Ca 0.63 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3di4 s PRO 20 Cb -0.19 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3di4 s PRO 20 CO 0.23 -1.21 -0.12 0.08 -0.33 0.00 0.00 177.00 175.64 3di4 s VAL 21 N -1.53 1.36 0.13 3.83 1.01 -1.26 -5.11 120.40 118.82 3di4 s VAL 21 Ca 0.77 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 3di4 s VAL 21 Cb -0.32 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3di4 s VAL 21 CO 0.35 0.42 1.47 -0.63 0.00 0.00 0.00 175.10 176.71 3di4 s ILE 22 N 1.32 3.06 0.10 2.22 1.01 -1.26 -4.90 121.20 122.74 3di4 s ILE 22 Ca -0.00 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.23 3di4 s ILE 22 Cb -0.14 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3di4 s ILE 22 CO -0.06 0.05 1.49 0.00 0.00 0.00 0.00 174.94 176.42 3di4 s TYR 24 N -4.72 2.56 0.63 0.00 2.02 -1.26 -5.11 117.35 111.46 3di4 s TYR 24 Ca -0.13 -2.79 -0.18 0.00 -0.37 0.00 0.00 57.07 53.60 3di4 s TYR 24 Cb 0.09 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3di4 s TYR 24 CO 0.79 -0.76 1.26 -2.14 -1.57 0.00 0.00 175.55 173.13 3di4 s PRO 25 N -0.00 2.72 0.37 -1.71 0.02 -1.26 -4.90 135.00 130.24 3di4 s PRO 25 Ca 0.18 1.96 0.09 0.00 0.02 0.00 0.00 61.00 63.24 3di4 s PRO 25 Cb -0.24 -1.88 0.73 0.00 0.02 0.00 0.00 34.50 33.13 3di4 s PRO 25 CO -0.01 -1.44 1.89 -0.91 -0.33 0.00 0.00 177.00 176.21 3di4 h ASN 26 N 0.67 0.25 0.21 2.53 2.35 -1.98 -0.93 115.58 118.68 3di4 h ASN 26 Ca -0.51 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 3di4 h ASN 26 Cb 1.32 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3di4 h ASN 26 CO 0.54 0.43 0.00 -2.24 -1.65 0.00 0.00 177.43 174.50 3di4 h ASP 27 N 0.25 0.00 1.69 5.81 3.04 -2.01 -1.87 116.42 123.34 3di4 h ASP 27 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 3di4 h ASP 27 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3di4 h ASP 27 CO 0.02 0.00 -0.07 0.77 -2.04 0.00 0.00 179.24 177.93 3di4 h SER 28 N 0.00 0.00 -3.83 4.15 4.64 -1.51 -3.47 113.55 113.53 3di4 h SER 28 Ca 0.00 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 3di4 h SER 28 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3di4 h SER 28 CO 0.00 0.00 0.17 -0.76 -0.87 0.00 0.00 176.83 175.38 3di4 s LEU 29 N -5.40 3.94 0.26 5.97 1.43 -0.70 -5.02 118.68 119.15 3di4 s LEU 29 Ca 0.08 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 3di4 s LEU 29 Cb 0.09 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 3di4 s LEU 29 CO 0.65 -0.32 1.36 -2.16 0.23 0.00 0.00 176.35 176.11 3di4 s PRO 30 N -3.35 4.33 -0.17 1.29 0.04 -1.26 -4.99 135.00 130.89 3di4 s PRO 30 Ca 0.55 2.20 -0.23 0.00 0.04 0.00 0.00 61.00 63.57 3di4 s PRO 30 Cb -0.10 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3di4 s PRO 30 CO 0.22 -0.30 0.72 1.03 0.04 0.00 0.00 177.00 178.70 3di4 s ARG 31 N -0.67 4.27 0.57 4.56 3.00 -1.26 -5.05 118.95 124.37 3di4 s ARG 31 Ca 0.56 0.81 -0.18 0.00 0.00 0.00 0.00 55.73 56.92 3di4 s ARG 31 Cb -0.40 -3.56 -0.04 0.00 0.00 0.00 0.00 34.95 30.95 3di4 s ARG 31 CO 0.44 -0.25 1.10 -1.25 0.00 0.00 0.00 175.30 175.35 3di4 s PRO 32 N 1.90 3.27 -1.33 3.54 0.04 -1.26 -4.92 135.00 136.23 3di4 s PRO 32 Ca 0.34 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3di4 s PRO 32 Cb -0.16 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.48 3di4 s PRO 32 CO 0.12 -0.89 1.92 -3.47 0.04 0.00 0.00 177.00 174.73 3di4 n ASP 33 N -1.67 4.68 -0.30 6.66 -0.08 -1.26 -4.78 116.55 119.80 3di4 n ASP 33 Ca 0.10 -2.98 0.03 0.00 -1.51 0.00 0.00 54.79 50.43 3di4 n ASP 33 Cb 0.52 -1.58 0.23 0.00 2.34 0.00 0.00 41.12 42.62 3di4 n ASP 33 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3di4 h LEU 34 N 9.36 0.93 -0.59 -2.67 5.85 -1.98 -1.69 115.31 124.51 3di4 h LEU 34 Ca 0.45 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 3di4 h LEU 34 Cb 0.69 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3di4 h LEU 34 CO 1.65 0.61 0.25 0.00 -0.34 0.00 0.00 178.44 180.61 3di4 h ALA 35 N 1.50 0.77 -0.38 1.25 0.00 -1.99 0.03 119.26 120.43 3di4 h ALA 35 Ca 0.37 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3di4 h ALA 35 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3di4 h ALA 35 CO -0.13 0.37 0.22 1.25 0.00 0.00 0.00 179.25 180.96 3di4 h LEU 36 N 0.82 0.34 -0.61 0.00 5.85 -1.81 0.71 115.31 120.62 3di4 h LEU 36 Ca 0.20 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3di4 h LEU 36 Cb 0.18 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3di4 h LEU 36 CO -0.02 0.25 0.34 1.88 -0.34 0.00 0.00 178.44 180.55 3di4 h TYR 37 N 0.44 0.83 -0.46 1.25 0.05 -0.86 -1.38 116.97 116.85 3di4 h TYR 37 Ca 0.16 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.81 3di4 h TYR 37 Cb 0.02 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3di4 h TYR 37 CO -0.08 0.59 -0.15 0.00 -1.05 0.00 0.00 178.16 177.47 3di4 h ARG 38 N 0.83 0.91 -0.44 4.88 3.08 -0.76 0.42 114.38 123.30 3di4 h ARG 38 Ca 0.22 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3di4 h ARG 38 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3di4 h ARG 38 CO -0.04 1.02 0.28 0.00 -1.07 0.00 0.00 179.97 180.16 3di4 h ALA 39 N 0.86 0.56 -0.81 0.04 0.00 -0.70 -0.96 119.26 118.25 3di4 h ALA 39 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3di4 h ALA 39 Cb 0.71 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3di4 h ALA 39 CO 0.05 0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.75 3di4 h ALA 40 N 1.14 1.20 -0.73 0.00 0.00 -1.05 -2.46 119.26 117.35 3di4 h ALA 40 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3di4 h ALA 40 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3di4 h ALA 40 CO -0.03 0.62 0.28 -0.09 0.00 0.00 0.00 179.25 180.04 3di4 h ARG 41 N 1.14 1.09 0.00 0.00 9.65 -0.48 -2.68 114.38 123.10 3di4 h ARG 41 Ca 0.28 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3di4 h ARG 41 Cb 0.08 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 3di4 h ARG 41 CO -0.04 0.89 -0.09 0.00 2.80 0.00 0.00 179.97 183.54 3di4 h ALA 42 N 1.24 1.18 0.00 2.80 0.00 -0.71 -1.55 119.26 122.22 3di4 h ALA 42 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3di4 h ALA 42 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3di4 h ALA 42 CO -0.02 0.11 -0.35 -1.13 0.00 0.00 0.00 179.25 177.86 3di4 n SER 43 N -3.45 0.41 -4.86 0.00 3.41 -1.03 -5.01 113.62 103.10 3di4 n SER 43 Ca -0.01 0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.37 3di4 n SER 43 Cb 0.23 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3di4 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3di4 s ALA 44 N -3.04 3.06 0.09 7.33 0.00 -0.58 -3.92 121.76 124.69 3di4 s ALA 44 Ca 0.11 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.19 3di4 s ALA 44 Cb 0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3di4 s ALA 44 CO 0.65 -0.57 -0.27 1.03 0.00 0.00 0.00 175.76 176.60 3di4 s ARG 45 N -4.78 1.59 0.20 0.00 3.00 -0.32 -4.88 118.95 113.77 3di4 s ARG 45 Ca 0.57 -1.24 -0.30 0.00 0.00 0.00 0.00 55.73 54.76 3di4 s ARG 45 Cb -0.11 -1.94 -0.09 0.00 0.00 0.00 0.00 34.95 32.82 3di4 s ARG 45 CO 0.46 0.48 1.26 0.21 0.00 0.00 0.00 175.30 177.71 3di4 s LYS 46 N -1.68 4.43 -0.00 3.54 2.20 -1.26 0.05 119.74 127.01 3di4 s LYS 46 Ca 0.13 1.99 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 3di4 s LYS 46 Cb -0.10 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3di4 s LYS 46 CO 0.04 -0.18 0.04 0.25 -0.36 0.00 0.00 175.35 175.14 3di4 n THR 47 N 2.47 0.00 -3.68 3.43 -2.24 0.36 -4.89 114.28 109.73 3di4 n THR 47 Ca 0.05 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 3di4 n THR 47 Cb 0.43 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3di4 n THR 47 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3di4 s GLY 48 N -1.82 -0.38 0.03 3.38 0.00 -1.18 -5.00 107.32 102.36 3di4 s GLY 48 Ca -0.00 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.16 3di4 s GLY 48 CO 0.05 1.19 0.42 -1.83 0.00 0.00 0.00 173.10 172.93 3di4 s GLU 49 N -2.27 0.90 -0.08 2.90 -1.05 -1.26 -1.26 118.70 116.59 3di4 s GLU 49 Ca 0.17 -0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 54.68 3di4 s GLU 49 Cb 0.04 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 3di4 s GLU 49 CO -0.04 -0.30 -0.03 0.08 0.95 0.00 0.00 175.26 175.92 3di4 s VAL 50 N -2.26 0.62 -0.31 1.83 1.01 0.46 -5.00 120.40 116.76 3di4 s VAL 50 Ca -0.07 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3di4 s VAL 50 Cb -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3di4 s VAL 50 CO -0.01 0.29 0.58 -0.22 0.00 0.00 0.00 175.10 175.75 3di4 s LEU 51 N 1.70 4.17 -0.39 3.92 2.96 -1.26 -0.72 118.68 129.06 3di4 s LEU 51 Ca 0.02 0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 3di4 s LEU 51 Cb -0.13 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.84 3di4 s LEU 51 CO -0.05 -0.45 0.68 -0.69 -1.32 0.00 0.00 176.35 174.52 3di4 s VAL 52 N 2.52 4.81 0.78 1.68 1.01 0.49 -4.96 120.40 126.72 3di4 s VAL 52 Ca 0.23 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 3di4 s VAL 52 Cb -0.15 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3di4 s VAL 52 CO 0.12 -0.47 1.11 -2.84 0.00 0.00 0.00 175.10 173.02 3di4 s PRO 53 N 2.88 2.11 0.40 2.72 0.02 -1.26 -1.05 135.00 140.83 3di4 s PRO 53 Ca 0.26 1.31 -0.27 0.00 0.02 0.00 0.00 61.00 62.32 3di4 s PRO 53 Cb -0.14 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 3di4 s PRO 53 CO 0.17 -1.77 1.43 -0.35 -0.33 0.00 0.00 177.00 176.15 3di4 n PRO 54 N -3.42 2.41 -2.10 5.54 -0.04 -1.25 -2.26 135.00 133.88 3di4 n PRO 54 Ca 0.10 0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 64.21 3di4 n PRO 54 Cb 0.52 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 3di4 n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3di4 n ARG 55 N 0.20 -1.55 -4.25 0.54 1.74 -0.40 -4.98 116.66 107.97 3di4 n ARG 55 Ca 0.03 1.07 -0.14 0.00 -0.77 0.00 0.00 57.85 58.05 3di4 n ARG 55 Cb 0.39 -5.60 -0.10 0.00 -1.02 0.00 0.00 32.46 26.13 3di4 n ARG 55 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3di4 s GLU 56 N -4.54 1.09 0.13 5.56 0.41 -0.96 -4.85 118.70 115.53 3di4 s GLU 56 Ca 0.00 -1.50 0.10 0.00 -0.41 0.00 0.00 54.97 53.16 3di4 s GLU 56 Cb 0.00 -0.43 -0.04 0.00 -1.78 0.00 0.00 34.13 31.88 3di4 s GLU 56 CO 0.00 -0.04 -0.21 0.20 -0.49 0.00 0.00 175.26 174.72 3di4 s GLY 57 N -3.17 1.66 0.01 -1.39 0.00 -1.25 -1.32 107.32 101.85 3di4 s GLY 57 Ca 0.20 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.51 3di4 s GLY 57 CO 0.02 -1.41 -0.03 0.50 0.00 0.00 0.00 173.10 172.19 3di4 s ARG 58 N -2.19 0.21 0.40 2.90 1.81 -0.47 -4.62 118.95 116.99 3di4 s ARG 58 Ca 0.17 -0.21 -0.06 0.00 -1.72 0.00 0.00 55.73 53.91 3di4 s ARG 58 Cb -0.10 -0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.23 3di4 s ARG 58 CO 0.09 0.03 0.70 0.00 -0.68 0.00 0.00 175.30 175.43 3di4 s PHE 60 N -2.42 -0.19 -0.06 0.00 -0.71 -0.45 -4.96 117.98 109.19 3di4 s PHE 60 Ca 0.47 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.65 3di4 s PHE 60 Cb -0.10 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 3di4 s PHE 60 CO 0.36 -0.38 -0.04 -1.21 -1.34 0.00 0.00 175.22 172.61 3di4 s GLU 61 N -1.27 2.82 -0.03 1.99 2.02 -1.26 -0.35 118.70 122.60 3di4 s GLU 61 Ca -0.13 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3di4 s GLU 61 Cb -0.05 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.55 3di4 s GLU 61 CO 0.04 0.67 0.00 0.08 0.02 0.00 0.00 175.26 176.08 3di4 s VAL 62 N -0.87 0.17 0.44 2.63 1.01 -0.56 -4.99 120.40 118.23 3di4 s VAL 62 Ca 0.14 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 3di4 s VAL 62 Cb -0.11 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 3di4 s VAL 62 CO 0.03 0.16 0.90 -0.54 0.00 0.00 0.00 175.10 175.65 3di4 s LYS 63 N 1.17 4.04 0.12 2.72 -0.14 -1.26 0.07 119.74 126.46 3di4 s LYS 63 Ca -0.08 0.91 -0.35 0.00 -1.36 0.00 0.00 55.97 55.09 3di4 s LYS 63 Cb -0.13 -2.23 -0.16 0.00 -1.68 0.00 0.00 37.83 33.62 3di4 s LYS 63 CO -0.02 -0.08 1.23 0.00 -0.76 0.00 0.00 175.35 175.73 3di4 n ALA 64 N -0.98 -1.04 -0.27 5.17 0.00 -1.22 -1.41 120.51 120.76 3di4 n ALA 64 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3di4 n ALA 64 Cb 0.54 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3di4 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3di4 n GLY 65 N 2.23 1.01 4.02 0.00 0.00 0.60 -4.92 105.19 108.12 3di4 n GLY 65 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3di4 n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di4 s GLN 66 N -0.54 2.36 0.06 1.61 -0.21 -0.50 -4.43 119.66 118.02 3di4 s GLN 66 Ca 0.00 -1.63 0.07 0.00 0.02 0.00 0.00 55.36 53.82 3di4 s GLN 66 Cb 0.00 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 3di4 s GLN 66 CO 0.00 -0.77 -0.19 -0.06 -2.12 0.00 0.00 175.29 172.15 3di4 s PHE 67 N -2.64 1.69 -0.03 0.91 0.40 -0.32 -0.66 117.98 117.34 3di4 s PHE 67 Ca 0.59 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 3di4 s PHE 67 Cb -0.06 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3di4 s PHE 67 CO 0.37 0.12 -0.09 -0.59 0.70 0.00 0.00 175.22 175.73 3di4 s PHE 68 N -0.96 0.97 -0.09 0.36 -0.71 -0.33 -1.43 117.98 115.79 3di4 s PHE 68 Ca 0.06 -0.24 0.04 0.00 -1.04 0.00 0.00 56.93 55.75 3di4 s PHE 68 Cb -0.09 -0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 41.02 3di4 s PHE 68 CO 0.03 -0.10 -0.21 0.50 -1.34 0.00 0.00 175.22 174.10 3di4 s ARG 69 N 0.17 2.88 -0.25 1.99 3.52 0.02 -0.12 118.95 127.16 3di4 s ARG 69 Ca -0.03 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.68 3di4 s ARG 69 Cb -0.08 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 3di4 s ARG 69 CO 0.00 0.31 0.06 0.42 -0.81 0.00 0.00 175.30 175.28 3di4 s ILE 70 N 0.03 4.20 0.08 4.11 1.01 -0.34 -1.10 121.20 129.20 3di4 s ILE 70 Ca -0.08 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.45 3di4 s ILE 70 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3di4 s ILE 70 CO 0.05 0.35 -0.22 -0.44 0.00 0.00 0.00 174.94 174.68 3di4 s SER 71 N 1.60 3.55 -0.02 3.58 0.01 0.35 -1.43 113.70 121.34 3di4 s SER 71 Ca 0.06 -0.58 -0.28 0.00 1.31 0.00 0.00 55.95 56.46 3di4 s SER 71 Cb -0.15 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 3di4 s SER 71 CO 0.03 0.22 0.91 -0.55 0.41 0.00 0.00 173.24 174.25 3di4 s SER 72 N -1.73 7.26 -0.00 2.44 0.15 -0.14 -1.93 113.70 119.76 3di4 s SER 72 Ca 0.15 1.53 0.01 0.00 0.70 0.00 0.00 55.95 58.34 3di4 s SER 72 Cb -0.10 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3di4 s SER 72 CO 0.06 -0.23 -0.03 0.68 1.20 0.00 0.00 173.24 174.92 3di4 s VAL 73 N 0.99 0.21 0.00 4.45 -7.23 -1.26 -1.35 120.40 116.22 3di4 s VAL 73 Ca 0.48 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 3di4 s VAL 73 Cb -0.20 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.55 3di4 s VAL 73 CO 0.25 0.06 0.00 -0.62 -0.31 0.00 0.00 175.10 174.48 3di4 n GLU 74 N 3.04 0.00 -3.63 4.82 1.02 -1.26 -4.40 120.64 120.23 3di4 n GLU 74 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3di4 n GLU 74 Cb 0.59 -0.08 -0.01 0.00 -0.02 0.00 0.00 31.44 31.92 3di4 n GLU 74 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3di4 s GLY 75 N 0.00 -0.38 0.19 0.62 0.00 -1.26 -4.92 107.32 101.56 3di4 s GLY 75 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 3di4 s GLY 75 CO 0.00 0.14 1.29 2.56 0.00 0.00 0.00 173.10 177.09 3di4 s PRO 76 N -2.54 4.40 -0.28 2.90 0.04 -1.26 -4.70 135.00 133.56 3di4 s PRO 76 Ca 0.13 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 3di4 s PRO 76 Cb 0.04 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.45 3di4 s PRO 76 CO -0.03 -0.24 0.73 -1.14 0.04 0.00 0.00 177.00 176.35 3di4 s GLN 77 N -0.01 0.73 0.29 4.56 2.00 -1.26 -3.40 119.66 122.56 3di4 s GLN 77 Ca 0.57 1.10 -0.02 0.00 -2.00 0.00 0.00 55.36 55.01 3di4 s GLN 77 Cb -0.36 0.23 -0.04 0.00 0.80 0.00 0.00 33.01 33.64 3di4 s GLN 77 CO 0.37 -0.13 0.51 0.14 -0.50 0.00 0.00 175.29 175.69 3di4 s VAL 78 N 1.15 5.09 0.02 1.34 -7.23 -0.16 -4.88 120.40 115.72 3di4 s VAL 78 Ca -0.06 -0.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.97 3di4 s VAL 78 Cb -0.05 -3.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 3di4 s VAL 78 CO -0.12 -0.36 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.32 3di4 s GLY 79 N -3.42 0.86 -0.26 2.32 0.00 -0.38 -2.36 107.32 104.08 3di4 s GLY 79 Ca 0.41 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 3di4 s GLY 79 CO 0.32 -0.76 -0.01 0.99 0.00 0.00 0.00 173.10 173.64 3di4 s ASP 80 N -0.86 4.62 -0.14 1.64 1.11 -0.02 0.11 116.67 123.13 3di4 s ASP 80 Ca 0.05 -0.79 -0.06 0.00 0.18 0.00 0.00 52.55 51.93 3di4 s ASP 80 Cb -0.07 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.13 3di4 s ASP 80 CO 0.01 -0.14 0.07 -0.22 1.18 0.00 0.00 175.17 176.06 3di4 s LEU 81 N 1.40 3.93 0.12 1.23 2.96 -0.26 -0.91 118.68 127.14 3di4 s LEU 81 Ca 0.01 0.22 0.11 0.00 -0.22 0.00 0.00 54.13 54.25 3di4 s LEU 81 Cb -0.17 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3di4 s LEU 81 CO -0.02 0.30 -0.26 0.20 -1.32 0.00 0.00 176.35 175.25 3di4 s ASN 82 N -0.38 3.34 -0.01 3.68 0.02 0.76 -1.78 114.94 120.58 3di4 s ASN 82 Ca 0.09 -0.71 0.02 0.00 -1.02 0.00 0.00 52.86 51.24 3di4 s ASN 82 Cb -0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 41.25 40.89 3di4 s ASN 82 CO 0.02 0.19 -0.08 -0.76 0.02 0.00 0.00 177.10 176.49 3di4 s LEU 83 N -1.95 2.01 0.10 0.60 1.43 -1.26 -1.15 118.68 118.46 3di4 s LEU 83 Ca 0.14 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3di4 s LEU 83 Cb -0.10 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 3di4 s LEU 83 CO 0.06 0.09 -0.16 -1.00 0.23 0.00 0.00 176.35 175.57 3di4 s HIS 84 N -0.17 1.49 0.05 0.29 3.76 0.27 -1.49 115.29 119.50 3di4 s HIS 84 Ca 0.03 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 3di4 s HIS 84 Cb -0.03 -0.80 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 3di4 s HIS 84 CO -0.00 0.15 1.86 1.21 -0.85 0.00 0.00 174.74 177.11 3di4 s ASN 85 N -2.08 6.48 0.49 1.40 3.84 -0.14 -0.50 114.94 124.43 3di4 s ASN 85 Ca 0.05 2.63 0.23 0.00 0.21 0.00 0.00 52.86 55.98 3di4 s ASN 85 Cb -0.08 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.36 3di4 s ASN 85 CO 0.03 -1.01 1.95 0.25 -2.79 0.00 0.00 177.10 175.54 3di4 h LEU 86 N 9.80 0.14 -2.14 3.21 5.85 -1.54 -1.59 115.31 129.04 3di4 h LEU 86 Ca -0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3di4 h LEU 86 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3di4 h LEU 86 CO 0.94 0.07 0.00 1.41 -0.34 0.00 0.00 178.44 180.52 3di4 n HIS 87 N -4.40 0.29 -3.06 1.25 8.25 -1.26 -4.71 115.22 111.57 3di4 n HIS 87 Ca 0.13 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3di4 n HIS 87 Cb 0.63 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 3di4 n HIS 87 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3di4 s ASP 88 N -1.57 -1.31 0.52 0.41 2.15 -0.60 -5.02 116.67 111.25 3di4 s ASP 88 Ca 0.32 -0.82 0.35 0.00 0.43 0.00 0.00 52.55 52.82 3di4 s ASP 88 Cb 0.20 1.68 1.84 0.00 -0.30 0.00 0.00 42.92 46.35 3di4 s ASP 88 CO 0.29 -0.13 2.07 -0.07 -0.17 0.00 0.00 175.17 177.16 3di4 h LEU 89 N 6.38 0.00 -1.50 -1.34 3.38 -1.83 -1.42 115.31 118.98 3di4 h LEU 89 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3di4 h LEU 89 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3di4 h LEU 89 CO 0.05 0.00 -0.20 0.74 0.09 0.00 0.00 178.44 179.12 3di4 h THR 90 N 0.00 0.66 -3.45 0.22 2.02 -1.96 -3.39 112.91 107.02 3di4 h THR 90 Ca 0.00 -0.89 -0.61 0.00 0.77 0.00 0.00 66.41 65.68 3di4 h THR 90 Cb 0.08 1.57 -0.11 0.00 -1.74 0.00 0.00 68.15 67.95 3di4 h THR 90 CO 0.00 0.20 0.23 -0.70 0.37 0.00 0.00 175.52 175.62 3di4 s GLU 91 N -3.96 4.09 0.28 6.66 2.12 -0.53 -4.93 118.70 122.43 3di4 s GLU 91 Ca -0.01 0.59 -0.12 0.00 0.36 0.00 0.00 54.97 55.79 3di4 s GLU 91 Cb 0.12 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.85 3di4 s GLU 91 CO 0.62 -0.47 0.54 -0.98 -0.54 0.00 0.00 175.26 174.44 3di4 s ARG 92 N 2.60 1.72 0.34 4.30 1.04 -1.26 -0.97 118.95 126.72 3di4 s ARG 92 Ca 0.28 -1.34 -0.29 0.00 -1.04 0.00 0.00 55.73 53.34 3di4 s ARG 92 Cb -0.15 0.50 -0.11 0.00 -2.04 0.00 0.00 34.95 33.14 3di4 s ARG 92 CO 0.09 -0.73 1.54 0.12 -0.04 0.00 0.00 175.30 176.27 3di4 s PHE 93 N -3.63 2.66 -0.57 5.89 5.36 -0.55 -0.98 117.98 126.16 3di4 s PHE 93 Ca 0.22 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 57.20 3di4 s PHE 93 Cb -0.02 -4.05 0.14 0.00 -0.34 0.00 0.00 43.02 38.76 3di4 s PHE 93 CO 0.11 -3.28 0.33 0.12 -1.46 0.00 0.00 175.22 171.04 3di4 s PHE 94 N -0.60 3.27 0.28 10.12 5.36 -0.01 -4.69 117.98 131.71 3di4 s PHE 94 Ca 0.58 -3.05 0.00 0.00 -0.96 0.00 0.00 56.93 53.50 3di4 s PHE 94 Cb -0.47 -2.93 0.53 0.00 -0.34 0.00 0.00 43.02 39.80 3di4 s PHE 94 CO 0.56 -0.76 1.84 1.03 -1.46 0.00 0.00 175.22 176.43 3di4 h SER 95 N 6.58 0.92 -0.22 6.13 0.87 -1.83 -2.64 113.55 123.36 3di4 h SER 95 Ca -0.05 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3di4 h SER 95 Cb 0.90 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3di4 h SER 95 CO 0.70 0.50 0.09 1.23 -0.53 0.00 0.00 176.83 178.82 3di4 h GLY 96 N 0.99 0.34 1.60 5.77 0.00 -1.93 0.10 103.07 109.95 3di4 h GLY 96 Ca 0.48 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.45 3di4 h GLY 96 CO -0.26 0.17 -0.74 1.70 0.00 0.00 0.00 176.54 177.41 3di4 h LYS 97 N 0.20 0.39 -0.50 4.80 1.63 -1.93 -1.48 116.57 119.67 3di4 h LYS 97 Ca 0.07 -0.32 0.06 0.00 -0.85 0.00 0.00 60.65 59.61 3di4 h LYS 97 Cb 0.16 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 3di4 h LYS 97 CO -0.01 0.97 0.21 1.15 -3.45 0.00 0.00 179.45 178.32 3di4 h THR 98 N 0.26 0.88 -0.54 1.00 2.02 -1.26 0.05 112.91 115.33 3di4 h THR 98 Ca -0.03 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3di4 h THR 98 Cb 1.32 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3di4 h THR 98 CO 0.13 0.08 0.35 -0.09 0.37 0.00 0.00 175.52 176.35 3di4 h ARG 99 N 0.42 0.70 -0.74 6.66 2.43 -0.65 0.35 114.38 123.53 3di4 h ARG 99 Ca 0.23 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3di4 h ARG 99 Cb 0.21 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3di4 h ARG 99 CO -0.21 0.46 0.38 0.00 -1.51 0.00 0.00 179.97 179.09 3di4 h ALA 100 N 1.20 0.95 0.14 2.80 0.00 -0.76 0.18 119.26 123.77 3di4 h ALA 100 Ca 0.20 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 3di4 h ALA 100 Cb -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.43 3di4 h ALA 100 CO -0.05 0.50 -1.25 -0.07 0.00 0.00 0.00 179.25 178.38 3di4 h LEU 101 N 1.03 0.48 0.00 0.00 3.38 -0.83 -3.41 115.31 115.95 3di4 h LEU 101 Ca 0.26 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3di4 h LEU 101 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3di4 h LEU 101 CO -0.04 1.39 -1.42 1.41 0.09 0.00 0.00 178.44 179.87 3di4 n HIS 102 N -3.56 0.00 0.00 1.13 8.25 0.10 -4.88 115.22 116.25 3di4 n HIS 102 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3di4 n HIS 102 Cb 1.02 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.84 3di4 n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3di4 n GLY 103 N 2.75 0.69 0.26 -1.41 0.00 0.63 -4.84 105.19 103.27 3di4 n GLY 103 Ca -0.11 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.90 3di4 n GLY 103 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3di4 h THR 104 N 0.00 0.68 -4.14 2.61 1.35 -1.93 -3.37 112.91 108.10 3di4 h THR 104 Ca 0.00 -0.51 -0.14 0.00 -0.55 0.00 0.00 66.41 65.21 3di4 h THR 104 Cb 0.00 1.32 -0.17 0.00 -1.73 0.00 0.00 68.15 67.56 3di4 h THR 104 CO 0.00 0.12 -0.69 -1.00 -0.25 0.00 0.00 175.52 173.70 3di4 s HIS 105 N -4.32 0.42 0.18 4.73 3.76 -1.26 -1.16 115.29 117.64 3di4 s HIS 105 Ca -0.03 -0.87 0.10 0.00 -0.15 0.00 0.00 55.06 54.11 3di4 s HIS 105 Cb 0.14 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 3di4 s HIS 105 CO 0.60 -0.31 -0.19 0.14 -0.85 0.00 0.00 174.74 174.13 3di4 s VAL 106 N -3.00 2.65 0.09 -0.90 -7.23 -0.61 -4.94 120.40 106.46 3di4 s VAL 106 Ca -0.02 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3di4 s VAL 106 Cb 0.01 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.69 3di4 s VAL 106 CO -0.07 -0.08 0.16 1.07 -0.31 0.00 0.00 175.10 175.87 3di4 n THR 107 N 0.28 0.00 -1.55 5.32 5.66 -1.26 -4.75 114.28 117.98 3di4 n THR 107 Ca -0.13 -0.37 -0.55 0.00 -3.05 0.00 0.00 64.05 59.95 3di4 n THR 107 Cb 0.55 0.27 -0.07 0.00 -1.55 0.00 0.00 70.33 69.53 3di4 n THR 107 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3di4 n THR 108 N -0.14 0.00 0.00 1.09 -1.04 -1.26 -1.46 114.28 111.46 3di4 n THR 108 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3di4 n THR 108 Cb 0.15 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 3di4 n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3di4 n GLY 109 N 2.10 1.31 3.95 3.41 0.00 0.27 -5.01 105.19 111.23 3di4 n GLY 109 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3di4 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3di4 s GLU 110 N -0.71 3.13 0.20 1.61 2.02 -0.54 -4.77 118.70 119.64 3di4 s GLU 110 Ca 0.00 -0.44 0.11 0.00 0.02 0.00 0.00 54.97 54.66 3di4 s GLU 110 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 3di4 s GLU 110 CO 0.00 -0.23 -0.23 1.03 0.02 0.00 0.00 175.26 175.85 3di4 s ARG 111 N -4.54 1.54 -0.30 1.61 1.81 -1.26 -1.71 118.95 116.09 3di4 s ARG 111 Ca 0.47 -1.54 -0.11 0.00 -1.72 0.00 0.00 55.73 52.83 3di4 s ARG 111 Cb -0.10 -1.85 -0.03 0.00 -0.45 0.00 0.00 34.95 32.52 3di4 s ARG 111 CO 0.38 0.40 0.20 -0.51 -0.68 0.00 0.00 175.30 175.08 3di4 s LEU 112 N -2.73 4.19 0.04 2.53 1.43 -0.23 -4.91 118.68 119.00 3di4 s LEU 112 Ca 0.21 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3di4 s LEU 112 Cb -0.08 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3di4 s LEU 112 CO 0.10 -0.14 0.21 0.26 0.23 0.00 0.00 176.35 177.02 3di4 s TRP 113 N 1.72 3.53 0.64 0.29 0.52 -1.26 -3.21 118.94 121.17 3di4 s TRP 113 Ca 0.06 0.30 -0.03 0.00 0.02 0.00 0.00 56.10 56.45 3di4 s TRP 113 Cb -0.17 -1.80 0.05 0.00 -1.15 0.00 0.00 33.47 30.41 3di4 s TRP 113 CO 0.10 0.60 0.91 -1.54 0.02 0.00 0.00 176.95 177.04 3di4 s SER 114 N -2.34 4.99 0.87 2.95 1.04 -0.17 -0.83 113.70 120.22 3di4 s SER 114 Ca 0.33 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 3di4 s SER 114 Cb -0.13 -0.97 0.12 0.00 0.10 0.00 0.00 66.02 65.14 3di4 s SER 114 CO 0.25 -1.41 1.11 0.54 0.98 0.00 0.00 173.24 174.71 3di4 s ASN 115 N -4.49 3.78 0.35 7.02 4.22 -0.16 -3.63 114.94 122.04 3di4 s ASN 115 Ca 0.59 1.22 -0.27 0.00 -2.14 0.00 0.00 52.86 52.27 3di4 s ASN 115 Cb -0.10 -1.89 -0.09 0.00 1.28 0.00 0.00 41.25 40.44 3di4 s ASN 115 CO 0.42 -2.41 1.12 -0.76 -2.04 0.00 0.00 177.10 173.43 3di4 s LEU 116 N -6.02 4.33 0.00 3.54 1.43 -1.26 -0.53 118.68 120.18 3di4 s LEU 116 Ca 0.63 2.27 0.15 0.00 -1.03 0.00 0.00 54.13 56.14 3di4 s LEU 116 Cb -0.16 -3.88 0.47 0.00 0.03 0.00 0.00 46.19 42.65 3di4 s LEU 116 CO 0.55 -0.42 1.37 -0.81 0.23 0.00 0.00 176.35 177.27 3di4 n PRO 117 N 0.52 1.86 0.11 1.29 -0.04 -1.26 -4.90 135.00 132.57 3di4 n PRO 117 Ca 0.02 -1.32 -0.17 0.00 -0.04 0.00 0.00 63.50 61.99 3di4 n PRO 117 Cb 0.46 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 3di4 n PRO 117 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3di4 h TYR 118 N 2.30 0.57 -1.18 0.54 0.05 -1.13 -3.38 116.97 114.75 3di4 h TYR 118 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 3di4 h TYR 118 Cb 0.52 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.23 3di4 h TYR 118 CO 0.21 1.31 0.00 -0.11 -1.05 0.00 0.00 178.16 178.52 3di4 n LEU 119 N -3.57 0.00 -4.07 3.88 7.94 -0.21 -0.59 117.00 120.38 3di4 n LEU 119 Ca -0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.71 3di4 n LEU 119 Cb 1.02 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.88 3di4 n LEU 119 CO 0.55 0.00 -0.21 0.00 -1.11 0.00 0.00 177.39 176.62 3di4 s ARG 120 N 0.00 0.95 1.24 1.96 1.70 -1.26 -4.04 118.95 119.50 3di4 s ARG 120 Ca 0.00 -1.30 -0.17 0.00 -0.47 0.00 0.00 55.73 53.78 3di4 s ARG 120 Cb 0.00 0.28 0.30 0.00 -0.57 0.00 0.00 34.95 34.97 3di4 s ARG 120 CO 0.00 -0.29 1.02 -2.14 -1.08 0.00 0.00 175.30 172.81 3di4 s PRO 121 N -4.00 -1.51 0.69 3.89 0.02 -1.26 -1.00 135.00 131.82 3di4 s PRO 121 Ca 0.19 0.37 -0.17 0.00 0.02 0.00 0.00 61.00 61.41 3di4 s PRO 121 Cb 0.06 -1.52 0.01 0.00 0.02 0.00 0.00 34.50 33.07 3di4 s PRO 121 CO -0.01 -4.00 1.25 0.00 -0.33 0.00 0.00 177.00 173.91 3di4 s ALA 123 N -2.57 2.25 -0.09 -1.55 0.00 -1.20 -4.58 121.76 114.01 3di4 s ALA 123 Ca 0.69 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.72 3di4 s ALA 123 Cb -0.17 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.44 3di4 s ALA 123 CO 0.60 -1.72 -0.20 0.99 0.00 0.00 0.00 175.76 175.42 3di4 s THR 124 N -1.70 1.76 -0.08 0.00 2.01 -0.24 -1.07 115.64 116.33 3di4 s THR 124 Ca 0.78 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 3di4 s THR 124 Cb -0.33 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3di4 s THR 124 CO 0.42 0.49 1.29 -0.63 -0.69 0.00 0.00 174.62 175.51 3di4 s ILE 125 N 0.50 4.11 -0.02 1.82 1.01 -0.69 -0.06 121.20 127.86 3di4 s ILE 125 Ca -0.16 1.41 0.12 0.00 0.00 0.00 0.00 60.65 62.01 3di4 s ILE 125 Cb -0.17 -3.91 -0.18 0.00 0.01 0.00 0.00 42.46 38.21 3di4 s ILE 125 CO 0.06 -0.05 0.25 2.30 0.00 0.00 0.00 174.94 177.50 3di4 n ILE 126 N 4.93 0.01 -3.77 2.92 -5.35 0.50 -0.57 119.36 118.02 3di4 n ILE 126 Ca 0.13 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.21 3di4 n ILE 126 Cb 0.45 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.48 3di4 n ILE 126 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3di4 s GLU 127 N -2.80 0.48 -0.24 6.28 0.41 -1.10 -4.87 118.70 116.87 3di4 s GLU 127 Ca -0.04 0.13 -0.04 0.00 -0.41 0.00 0.00 54.97 54.62 3di4 s GLU 127 Cb 0.07 0.22 0.09 0.00 -1.78 0.00 0.00 34.13 32.74 3di4 s GLU 127 CO 0.48 -0.10 0.17 0.34 -0.49 0.00 0.00 175.26 175.66 3di4 s ASP 128 N -0.50 2.38 0.35 -0.19 2.15 -1.26 -1.06 116.67 118.54 3di4 s ASP 128 Ca -0.06 -0.76 0.27 0.00 0.43 0.00 0.00 52.55 52.43 3di4 s ASP 128 Cb -0.04 -0.00 1.10 0.00 -0.30 0.00 0.00 42.92 43.68 3di4 s ASP 128 CO 0.02 -0.38 1.80 0.71 -0.17 0.00 0.00 175.17 177.15 3di4 h THR 129 N 6.37 0.00 -0.39 1.71 1.35 -1.72 -1.50 112.91 118.73 3di4 h THR 129 Ca -0.17 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3di4 h THR 129 Cb 1.09 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3di4 h THR 129 CO 0.34 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.79 3di4 n LEU 130 N -2.51 3.05 0.32 3.87 4.77 -1.26 -4.53 117.00 120.70 3di4 n LEU 130 Ca 0.02 -1.54 0.21 0.00 -0.03 0.00 0.00 56.01 54.67 3di4 n LEU 130 Cb 0.26 -0.45 1.07 0.00 -2.33 0.00 0.00 43.42 41.97 3di4 n LEU 130 CO 0.22 0.53 1.13 1.23 -1.33 0.00 0.00 177.39 179.17 3di4 h GLY 131 N 4.75 0.00 2.00 -0.72 0.00 -1.67 -0.21 103.07 107.22 3di4 h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3di4 h GLY 131 CO 0.14 0.00 0.00 0.11 0.00 0.00 0.00 176.54 176.79 3di4 h TRP 132 N 0.00 0.00 -0.32 5.60 5.08 -1.84 -3.33 115.95 121.14 3di4 h TRP 132 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 3di4 h TRP 132 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 3di4 h TRP 132 CO 0.00 0.00 0.09 -0.92 -1.28 0.00 0.00 178.44 176.33 3di4 h TYR 133 N 0.00 0.54 0.00 0.12 5.03 -1.40 -3.47 116.97 117.79 3di4 h TYR 133 Ca 0.00 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 3di4 h TYR 133 Cb 0.38 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.50 3di4 h TYR 133 CO 0.00 0.55 0.00 0.41 -1.32 0.00 0.00 178.16 177.80 3di4 n GLY 134 N -0.58 2.30 3.08 1.82 0.00 -1.25 -4.50 105.19 106.04 3di4 n GLY 134 Ca -0.02 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3di4 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3di4 s ILE 135 N 0.00 1.84 1.02 -0.61 1.01 -1.26 -4.34 121.20 118.86 3di4 s ILE 135 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3di4 s ILE 135 Cb 0.00 -1.69 0.22 0.00 0.01 0.00 0.00 42.46 41.01 3di4 s ILE 135 CO 0.00 0.50 1.29 1.51 0.00 0.00 0.00 174.94 178.25 3di4 s ASP 136 N 1.36 2.62 0.28 3.58 1.47 -0.03 -4.88 116.67 121.07 3di4 s ASP 136 Ca 0.05 0.30 0.22 0.00 1.18 0.00 0.00 52.55 54.30 3di4 s ASP 136 Cb -0.13 -0.35 1.05 0.00 -0.34 0.00 0.00 42.92 43.15 3di4 s ASP 136 CO -0.12 -3.04 1.67 0.00 0.68 0.00 0.00 175.17 174.36 3di4 n GLN 137 N -3.98 0.16 0.00 2.11 0.00 -1.26 -1.62 117.38 112.79 3di4 n GLN 137 Ca 0.15 0.53 0.11 0.00 0.00 0.00 0.00 57.00 57.79 3di4 n GLN 137 Cb 0.59 -1.90 0.01 0.00 0.00 0.00 0.00 30.24 28.93 3di4 n GLN 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3di4 n TYR 138 N -2.22 0.00 -0.31 2.61 4.01 -1.26 -4.96 117.16 115.03 3di4 n TYR 138 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3di4 n TYR 138 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3di4 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3di4 n GLY 139 N 1.44 0.82 3.83 2.72 0.00 -0.64 -4.45 105.19 108.91 3di4 n GLY 139 Ca 0.08 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3di4 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3di4 s GLY 140 N -2.21 2.55 0.21 -0.02 0.00 -1.26 -4.36 107.32 102.24 3di4 s GLY 140 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 3di4 s GLY 140 CO 0.00 0.27 0.27 -0.56 0.00 0.00 0.00 173.10 173.08 3di4 s SER 141 N -1.37 0.06 0.11 1.64 0.01 -0.51 -0.85 113.70 112.79 3di4 s SER 141 Ca 0.32 -1.17 0.03 0.00 1.31 0.00 0.00 55.95 56.43 3di4 s SER 141 Cb -0.17 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 3di4 s SER 141 CO 0.18 -0.95 0.16 0.54 0.41 0.00 0.00 173.24 173.58 3di4 s VAL 142 N -4.09 4.89 -0.19 3.43 0.11 -1.26 -1.38 120.40 121.91 3di4 s VAL 142 Ca 0.31 -0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3di4 s VAL 142 Cb 0.04 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 3di4 s VAL 142 CO 0.10 0.04 0.18 1.41 -3.33 0.00 0.00 175.10 173.50 3di4 n HIS 143 N 0.06 -0.79 -3.45 1.54 8.25 -1.21 -4.33 115.22 115.29 3di4 n HIS 143 Ca -0.07 0.30 -0.33 0.00 -0.26 0.00 0.00 57.72 57.36 3di4 n HIS 143 Cb 0.53 -2.19 -0.05 0.00 1.12 0.00 0.00 29.99 29.40 3di4 n HIS 143 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3di4 s ASP 144 N -2.22 6.65 -0.26 0.41 1.47 -1.00 -1.58 116.67 120.13 3di4 s ASP 144 Ca 0.00 0.90 0.11 0.00 1.18 0.00 0.00 52.55 54.75 3di4 s ASP 144 Cb -0.00 -2.22 0.46 0.00 -0.34 0.00 0.00 42.92 40.82 3di4 s ASP 144 CO 0.20 -0.01 1.18 1.33 0.68 0.00 0.00 175.17 178.54 3di4 n VAL 145 N 0.12 2.17 -0.00 2.11 0.24 -0.31 -1.02 118.33 121.64 3di4 n VAL 145 Ca -0.01 -3.75 0.00 0.00 -2.04 0.00 0.00 64.34 58.54 3di4 n VAL 145 Cb 0.52 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 3di4 n VAL 145 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3di4 n ILE 146 N -0.70 0.02 -1.88 1.34 -5.35 -1.25 -4.69 119.36 106.85 3di4 n ILE 146 Ca 0.33 -0.03 -0.23 0.00 -0.27 0.00 0.00 62.75 62.55 3di4 n ILE 146 Cb 0.91 0.13 0.15 0.00 -1.74 0.00 0.00 39.64 39.10 3di4 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3di4 n GLY 147 N 2.55 -1.06 0.44 3.28 0.00 -1.26 -5.06 105.19 104.08 3di4 n GLY 147 Ca -0.01 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3di4 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3di4 n THR 148 N -3.32 0.63 0.00 2.61 -2.24 -1.26 -4.53 114.28 106.17 3di4 n THR 148 Ca 0.13 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3di4 n THR 148 Cb 0.47 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 3di4 n THR 148 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3di4 n ARG 149 N -3.27 0.00 -2.03 -0.78 1.85 -1.26 -1.91 116.66 109.26 3di4 n ARG 149 Ca -0.21 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.25 3di4 n ARG 149 Cb 0.68 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.09 3di4 n ARG 149 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3di4 s ASP 151 N -1.01 -0.31 0.47 0.00 1.47 -1.26 -1.33 116.67 114.69 3di4 s ASP 151 Ca 0.64 0.16 0.26 0.00 1.18 0.00 0.00 52.55 54.80 3di4 s ASP 151 Cb -0.36 0.40 0.92 0.00 -0.34 0.00 0.00 42.92 43.54 3di4 s ASP 151 CO 0.44 -0.56 1.82 1.55 0.68 0.00 0.00 175.17 179.09 3di4 h PRO 152 N 3.36 0.00 -0.19 2.11 0.13 -1.93 -2.51 132.00 132.98 3di4 h PRO 152 Ca -0.30 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 3di4 h PRO 152 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3di4 h PRO 152 CO 0.41 0.14 -0.35 1.88 -0.23 0.00 0.00 178.00 179.85 3di4 h TYR 153 N 0.00 0.71 -0.63 1.56 0.05 -1.95 -0.18 116.97 116.53 3di4 h TYR 153 Ca -0.00 -0.26 -0.08 0.00 0.05 0.00 0.00 58.73 58.44 3di4 h TYR 153 Cb 0.75 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 3di4 h TYR 153 CO 0.00 0.99 0.07 1.15 -1.05 0.00 0.00 178.16 179.33 3di4 h THR 154 N 0.23 1.26 -0.18 -2.88 2.02 -1.97 0.70 112.91 112.09 3di4 h THR 154 Ca 0.01 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.15 3di4 h THR 154 Cb 0.95 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3di4 h THR 154 CO 0.08 0.39 0.01 1.23 0.37 0.00 0.00 175.52 177.60 3di4 h GLY 155 N 0.98 0.18 1.01 2.16 0.00 -1.42 -0.77 103.07 105.21 3di4 h GLY 155 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3di4 h GLY 155 CO 0.02 -0.03 0.39 -0.57 0.00 0.00 0.00 176.54 176.35 3di4 h ASN 156 N 0.07 0.93 -0.27 0.19 -0.73 -0.69 0.94 115.58 116.02 3di4 h ASN 156 Ca 0.08 -0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.16 3di4 h ASN 156 Cb 0.10 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 3di4 h ASN 156 CO -0.14 0.77 0.14 0.25 -0.37 0.00 0.00 177.43 178.08 3di4 h LEU 157 N 1.01 0.21 0.07 0.34 5.85 -0.45 -1.06 115.31 121.28 3di4 h LEU 157 Ca 0.26 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.66 3di4 h LEU 157 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3di4 h LEU 157 CO -0.04 0.16 -1.80 -0.07 -0.34 0.00 0.00 178.44 176.35 3di4 h LEU 158 N 0.29 0.23 0.00 2.25 3.38 -1.00 -3.41 115.31 117.06 3di4 h LEU 158 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3di4 h LEU 158 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3di4 h LEU 158 CO -0.07 1.43 -0.06 0.00 0.09 0.00 0.00 178.44 179.83 3di4 n ALA 159 N -2.76 2.12 -0.49 1.53 0.00 0.31 -5.10 120.51 116.13 3di4 n ALA 159 Ca -0.23 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.25 3di4 n ALA 159 Cb 1.05 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.44 3di4 n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3di4 n GLY 160 N 1.04 -1.88 0.00 0.00 0.00 -0.40 -4.98 105.19 98.97 3di4 n GLY 160 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3di4 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3di4 n GLY 161 N -2.68 -1.13 2.61 -0.02 0.00 -1.26 -4.34 105.19 98.38 3di4 n GLY 161 Ca -0.01 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 3di4 n GLY 161 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3di4 s HIS 162 N -1.16 0.49 -0.12 1.61 0.09 -1.26 -3.99 115.29 110.96 3di4 s HIS 162 Ca 0.00 -0.73 0.01 0.00 -0.00 0.00 0.00 55.06 54.34 3di4 s HIS 162 Cb 0.00 -0.91 -0.01 0.00 -0.00 0.00 0.00 32.58 31.66 3di4 s HIS 162 CO 0.00 -0.68 -0.17 -0.47 -0.00 0.00 0.00 174.74 173.42 3di4 s TYR 163 N 2.04 2.71 -2.14 1.40 5.04 -1.26 -5.04 117.35 120.11 3di4 s TYR 163 Ca 0.05 -0.82 0.19 0.00 -2.44 0.00 0.00 57.07 54.04 3di4 s TYR 163 Cb -0.16 -1.80 0.28 0.00 0.35 0.00 0.00 41.96 40.63 3di4 s TYR 163 CO -0.21 -0.31 1.22 0.72 -1.34 0.00 0.00 175.55 175.64 3di4 n HIS 164 N 3.56 0.27 -1.30 4.97 8.25 -1.26 -4.46 115.22 125.26 3di4 n HIS 164 Ca -0.19 -0.17 0.08 0.00 -0.26 0.00 0.00 57.72 57.18 3di4 n HIS 164 Cb 0.53 -0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.81 3di4 n HIS 164 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3di4 n HIS 165 N 1.14 0.11 -1.09 4.41 8.25 -1.26 -4.51 115.22 122.27 3di4 n HIS 165 Ca 0.14 -1.23 -0.31 0.00 -0.26 0.00 0.00 57.72 56.07 3di4 n HIS 165 Cb 0.51 -0.22 0.12 0.00 1.12 0.00 0.00 29.99 31.51 3di4 n HIS 165 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3di4 h HIS 168 N 1.13 0.36 -0.32 0.00 -0.00 -1.53 0.10 115.15 114.90 3di4 h HIS 168 Ca 0.30 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.52 3di4 h HIS 168 Cb -0.09 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 3di4 h HIS 168 CO 0.00 0.10 -0.50 0.77 -0.00 0.00 0.00 177.93 178.30 3di4 h SER 169 N 0.39 0.99 -0.67 3.26 0.02 -1.55 -1.84 113.55 114.14 3di4 h SER 169 Ca 0.28 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3di4 h SER 169 Cb 0.32 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3di4 h SER 169 CO -0.28 1.31 0.32 0.78 -1.14 0.00 0.00 176.83 177.83 3di4 h ASN 170 N 0.70 0.87 -0.65 3.07 2.35 -0.76 -0.70 115.58 120.46 3di4 h ASN 170 Ca 0.03 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3di4 h ASN 170 Cb 1.11 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 3di4 h ASN 170 CO 0.12 0.75 0.12 -0.07 -1.65 0.00 0.00 177.43 176.69 3di4 h LEU 171 N 0.92 1.03 0.10 1.61 3.38 -0.99 -1.69 115.31 119.68 3di4 h LEU 171 Ca 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3di4 h LEU 171 Cb 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3di4 h LEU 171 CO -0.03 1.02 -0.05 0.74 0.09 0.00 0.00 178.44 180.21 3di4 h THR 172 N 1.00 0.97 -0.66 0.22 2.02 -0.71 -0.67 112.91 115.08 3di4 h THR 172 Ca 0.20 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3di4 h THR 172 Cb 0.42 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3di4 h THR 172 CO 0.01 0.07 0.37 0.03 0.37 0.00 0.00 175.52 176.36 3di4 h ARG 173 N -0.26 0.92 -0.50 6.66 3.08 -1.16 -1.42 114.38 121.70 3di4 h ARG 173 Ca -0.01 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3di4 h ARG 173 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3di4 h ARG 173 CO 0.02 0.69 0.31 0.00 -1.07 0.00 0.00 179.97 179.92 3di4 h ALA 174 N 1.18 0.63 -0.23 0.04 0.00 -1.09 -0.15 119.26 119.64 3di4 h ALA 174 Ca 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3di4 h ALA 174 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3di4 h ALA 174 CO -0.04 0.10 0.03 1.25 0.00 0.00 0.00 179.25 180.59 3di4 h LEU 175 N 0.67 0.38 -0.20 0.00 5.85 -0.98 -1.00 115.31 120.03 3di4 h LEU 175 Ca 0.18 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3di4 h LEU 175 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3di4 h LEU 175 CO -0.04 0.56 0.09 0.00 -0.34 0.00 0.00 178.44 178.71 3di4 h ALA 176 N 0.84 0.23 -0.73 1.25 0.00 -1.17 -1.21 119.26 118.46 3di4 h ALA 176 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3di4 h ALA 176 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3di4 h ALA 176 CO 0.01 -0.34 0.22 -0.44 0.00 0.00 0.00 179.25 178.70 3di4 h ASP 177 N 0.19 1.07 -0.28 0.00 3.32 -0.96 0.34 116.42 120.10 3di4 h ASP 177 Ca 0.08 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 3di4 h ASP 177 Cb 0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3di4 h ASP 177 CO -0.07 1.00 -0.23 -0.74 -1.72 0.00 0.00 179.24 177.48 3di4 h HIS 178 N 1.08 0.78 0.00 4.55 2.76 -1.05 -3.34 115.15 119.93 3di4 h HIS 178 Ca 0.23 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3di4 h HIS 178 Cb 0.31 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.11 3di4 h HIS 178 CO 0.03 0.94 -1.06 0.25 -1.30 0.00 0.00 177.93 176.78 3di4 n THR 179 N -4.32 0.12 -0.95 6.26 -2.24 -0.47 -4.97 114.28 107.72 3di4 n THR 179 Ca -0.04 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3di4 n THR 179 Cb 0.44 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3di4 n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3di4 n GLY 180 N 1.39 0.41 3.76 3.38 0.00 0.12 -5.01 105.19 109.24 3di4 n GLY 180 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3di4 n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3di4 s LEU 181 N 0.00 3.96 0.59 0.99 1.43 -1.19 -4.98 118.68 119.49 3di4 s LEU 181 Ca 0.00 2.56 -0.20 0.00 -1.03 0.00 0.00 54.13 55.46 3di4 s LEU 181 Cb 0.00 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 3di4 s LEU 181 CO 0.00 -1.21 1.34 -2.65 0.23 0.00 0.00 176.35 174.06 3di4 n PRO 182 N -0.66 1.45 -0.19 1.29 -0.02 -1.26 -4.62 135.00 130.99 3di4 n PRO 182 Ca 0.08 0.54 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3di4 n PRO 182 Cb 0.46 -2.57 0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3di4 n PRO 182 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3di4 h LEU 183 N 1.03 0.12 -0.42 2.45 5.85 -1.93 0.04 115.31 122.45 3di4 h LEU 183 Ca -0.51 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3di4 h LEU 183 Cb 1.32 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3di4 h LEU 183 CO 0.55 0.08 0.00 0.45 -0.34 0.00 0.00 178.44 179.18 3di4 h HIS 184 N 0.33 0.00 -0.02 1.25 3.86 -1.96 -0.22 115.15 118.39 3di4 h HIS 184 Ca 0.29 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.39 3di4 h HIS 184 Cb 0.38 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.86 3di4 h HIS 184 CO -0.20 0.00 -0.42 1.49 0.86 0.00 0.00 177.93 179.66 3di4 h GLU 185 N 0.00 0.31 -0.95 2.45 4.81 -1.43 -3.20 114.58 116.57 3di4 h GLU 185 Ca 0.00 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3di4 h GLU 185 Cb 0.76 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 3di4 h GLU 185 CO 0.00 1.00 0.62 0.00 -0.73 0.00 0.00 179.01 179.90 3di4 h ALA 186 N 0.32 1.27 0.00 2.92 0.00 -0.95 -3.26 119.26 119.56 3di4 h ALA 186 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3di4 h ALA 186 Cb 1.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3di4 h ALA 186 CO 0.08 0.47 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 3di4 n GLU 187 N -4.50 0.00 0.00 0.00 2.13 -0.10 -2.68 120.64 115.49 3di4 n GLU 187 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3di4 n GLU 187 Cb 0.11 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3di4 n GLU 187 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3di4 n LEU 189 N 1.15 0.00 -4.77 4.31 4.77 -1.23 -4.83 117.00 116.39 3di4 n LEU 189 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3di4 n LEU 189 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3di4 n LEU 189 CO 0.00 0.00 1.08 -0.69 -1.33 0.00 0.00 177.39 176.45 3di4 s VAL 190 N 0.00 2.06 0.21 4.08 1.01 -1.09 -5.00 120.40 121.67 3di4 s VAL 190 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3di4 s VAL 190 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3di4 s VAL 190 CO 0.00 0.01 0.18 -1.38 0.00 0.00 0.00 175.10 173.90 3di4 s HIS 191 N -1.19 1.10 0.30 5.22 -3.43 -1.26 -5.12 115.29 110.91 3di4 s HIS 191 Ca 0.60 -1.32 -0.30 0.00 -0.80 0.00 0.00 55.06 53.24 3di4 s HIS 191 Cb -0.44 -0.48 -0.12 0.00 -1.43 0.00 0.00 32.58 30.10 3di4 s HIS 191 CO 0.57 -0.69 1.49 -0.25 -2.00 0.00 0.00 174.74 173.86 3di4 n ASP 192 N -0.35 3.41 -4.95 7.38 8.00 -1.26 -4.92 116.55 123.85 3di4 n ASP 192 Ca 0.02 1.17 -0.23 0.00 0.71 0.00 0.00 54.79 56.46 3di4 n ASP 192 Cb 0.65 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 3di4 n ASP 192 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3di4 s VAL 193 N -0.34 4.39 -0.22 2.53 -7.23 -0.80 -4.50 120.40 114.22 3di4 s VAL 193 Ca 0.62 -0.56 -0.21 0.00 -1.81 0.00 0.00 61.98 60.02 3di4 s VAL 193 Cb -0.54 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 32.78 3di4 s VAL 193 CO 0.53 -0.39 0.67 -0.22 -0.31 0.00 0.00 175.10 175.38 3di4 s LEU 194 N -4.42 4.10 -1.13 1.32 2.96 -0.73 -4.65 118.68 116.13 3di4 s LEU 194 Ca 0.45 0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 3di4 s LEU 194 Cb -0.10 -2.94 0.18 0.00 0.50 0.00 0.00 46.19 43.83 3di4 s LEU 194 CO 0.36 -0.35 1.32 0.20 -1.32 0.00 0.00 176.35 176.56 3di4 s ASN 195 N 1.32 7.01 0.06 3.68 0.01 -0.19 -1.10 114.94 125.74 3di4 s ASN 195 Ca 0.29 -2.87 -0.31 0.00 -0.71 0.00 0.00 52.86 49.26 3di4 s ASN 195 Cb -0.16 -2.38 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 3di4 s ASN 195 CO 0.09 -0.75 1.41 -0.69 -1.51 0.00 0.00 177.10 175.65 3di4 s VAL 196 N 1.45 3.47 -0.08 1.60 1.01 0.12 -2.38 120.40 125.59 3di4 s VAL 196 Ca 0.39 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3di4 s VAL 196 Cb -0.04 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3di4 s VAL 196 CO -0.03 0.04 0.09 0.49 0.00 0.00 0.00 175.10 175.68 3di4 n PHE 197 N 4.68 -0.76 -3.21 5.22 3.72 -1.26 -1.25 117.46 124.60 3di4 n PHE 197 Ca 0.12 0.32 0.04 0.00 -0.05 0.00 0.00 57.45 57.88 3di4 n PHE 197 Cb 0.43 -2.04 -0.01 0.00 -0.94 0.00 0.00 39.48 36.92 3di4 n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3di4 s THR 200 N 2.87 0.00 0.00 0.00 -4.23 -0.48 -1.30 115.64 112.50 3di4 s THR 200 Ca 0.16 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3di4 s THR 200 Cb -0.14 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3di4 s THR 200 CO -0.20 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3di4 n GLY 201 N -0.41 0.78 3.46 3.99 0.00 -0.91 -1.42 105.19 110.68 3di4 n GLY 201 Ca -0.02 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3di4 n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3di4 s PHE 202 N -3.17 2.80 0.48 1.61 0.08 -1.26 -1.02 117.98 117.50 3di4 s PHE 202 Ca 0.00 -0.30 -0.24 0.00 0.12 0.00 0.00 56.93 56.52 3di4 s PHE 202 Cb 0.00 -1.73 -0.07 0.00 -0.57 0.00 0.00 43.02 40.65 3di4 s PHE 202 CO 0.00 0.07 1.34 0.95 -0.10 0.00 0.00 175.22 177.48 3di4 s THR 203 N -0.32 2.33 0.19 0.64 -4.23 0.38 -4.79 115.64 109.83 3di4 s THR 203 Ca 0.03 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 61.00 3di4 s THR 203 Cb -0.13 -3.15 0.14 0.00 1.34 0.00 0.00 72.50 70.70 3di4 s THR 203 CO 0.02 0.02 1.75 0.03 -0.54 0.00 0.00 174.62 175.90 3di4 h ARG 204 N 2.03 0.00 0.00 3.99 -0.00 -1.92 0.51 114.38 118.99 3di4 h ARG 204 Ca -0.50 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 58.69 3di4 h ARG 204 Cb 1.27 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.19 3di4 h ARG 204 CO 0.60 0.37 -1.77 -0.40 0.00 0.00 0.00 179.97 178.76 3di4 n ASP 205 N -3.56 0.74 0.00 7.04 5.75 -1.26 -4.60 116.55 120.65 3di4 n ASP 205 Ca -0.00 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 3di4 n ASP 205 Cb 0.49 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 3di4 n ASP 205 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3di4 n THR 206 N -2.97 0.00 -1.74 2.12 -2.24 -1.24 -5.04 114.28 103.17 3di4 n THR 206 Ca -0.18 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 3di4 n THR 206 Cb 1.04 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 70.42 3di4 n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3di4 n GLY 207 N 0.31 0.89 3.85 3.38 0.00 0.17 -4.93 105.19 108.85 3di4 n GLY 207 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3di4 n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di4 s GLN 208 N -3.80 3.99 -0.06 1.61 -0.21 -1.26 -4.61 119.66 115.31 3di4 s GLN 208 Ca 0.00 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.62 3di4 s GLN 208 Cb 0.00 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 3di4 s GLN 208 CO 0.00 0.36 1.40 -0.47 -2.12 0.00 0.00 175.29 174.47 3di4 s TYR 209 N -1.66 2.68 0.00 0.91 5.04 -1.26 -0.47 117.35 122.59 3di4 s TYR 209 Ca 0.44 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 3di4 s TYR 209 Cb -0.13 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.52 3di4 s TYR 209 CO 0.20 -2.46 0.00 1.97 -1.34 0.00 0.00 175.55 173.92 3di4 n PHE 210 N 6.11 0.00 0.00 4.97 1.16 -0.19 -4.95 117.46 124.56 3di4 n PHE 210 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3di4 n PHE 210 Cb 0.44 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 3di4 n PHE 210 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 3di4 n LYS 212 N 0.00 0.00 -1.56 3.97 2.85 -0.42 -2.13 118.16 120.87 3di4 n LYS 212 Ca 0.00 0.00 -0.55 0.00 -1.05 0.00 0.00 58.31 56.71 3di4 n LYS 212 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 3di4 n LYS 212 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3di4 n ALA 213 N -0.11 -2.07 -1.77 0.58 0.00 -1.20 -4.30 120.51 111.64 3di4 n ALA 213 Ca 0.00 0.55 -0.39 0.00 0.00 0.00 0.00 53.44 53.60 3di4 n ALA 213 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 3di4 n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3di4 s SER 214 N 0.41 6.55 0.00 0.00 0.15 -0.13 -4.85 113.70 115.83 3di4 s SER 214 Ca 0.88 2.52 0.28 0.00 0.70 0.00 0.00 55.95 60.32 3di4 s SER 214 Cb -1.10 -2.63 1.64 0.00 -1.71 0.00 0.00 66.02 62.23 3di4 s SER 214 CO 0.52 -0.67 2.02 -0.81 1.20 0.00 0.00 173.24 175.50 3di4 n PRO 215 N 0.32 0.93 -1.95 5.44 -0.04 -1.26 -4.88 135.00 133.56 3di4 n PRO 215 Ca 0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 3di4 n PRO 215 Cb 0.44 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3di4 n PRO 215 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3di4 s VAL 216 N -2.00 2.42 0.07 0.52 0.11 -1.26 -5.04 120.40 115.21 3di4 s VAL 216 Ca 0.41 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.83 3di4 s VAL 216 Cb 0.19 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 3di4 s VAL 216 CO 0.32 0.03 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.92 3di4 s ARG 217 N -2.50 0.68 0.13 1.54 1.81 -1.26 -4.57 118.95 114.78 3di4 s ARG 217 Ca 0.62 -1.07 -0.35 0.00 -1.72 0.00 0.00 55.73 53.21 3di4 s ARG 217 Cb -0.39 -0.20 -0.16 0.00 -0.45 0.00 0.00 34.95 33.76 3di4 s ARG 217 CO 0.49 0.00 1.30 -2.30 -0.68 0.00 0.00 175.30 174.11 3di4 n PRO 218 N 0.62 1.28 0.00 3.54 -0.02 -1.26 -1.34 135.00 137.82 3di4 n PRO 218 Ca -0.17 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3di4 n PRO 218 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3di4 n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3di4 n GLY 219 N 2.40 2.15 3.75 -1.23 0.00 -0.45 -4.97 105.19 106.83 3di4 n GLY 219 Ca 0.17 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3di4 n GLY 219 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3di4 s ASP 220 N 0.03 4.90 0.17 1.61 1.01 -0.45 -4.83 116.67 119.12 3di4 s ASP 220 Ca 0.00 2.37 -0.17 0.00 0.71 0.00 0.00 52.55 55.46 3di4 s ASP 220 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 3di4 s ASP 220 CO 0.00 -1.79 0.48 -0.72 0.21 0.00 0.00 175.17 173.35 3di4 s TYR 221 N -1.73 -0.14 -0.12 4.23 -0.85 -1.26 -0.96 117.35 116.52 3di4 s TYR 221 Ca 0.76 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 3di4 s TYR 221 Cb -0.30 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.40 3di4 s TYR 221 CO 0.37 -0.84 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.29 3di4 s LEU 222 N -2.85 1.42 -0.03 -3.49 2.96 -0.51 -1.66 118.68 114.52 3di4 s LEU 222 Ca 0.07 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3di4 s LEU 222 Cb 0.00 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 3di4 s LEU 222 CO -0.06 -0.08 -0.24 -0.70 -1.32 0.00 0.00 176.35 173.96 3di4 s GLU 223 N 1.50 2.27 0.11 1.98 2.12 -0.23 -1.20 118.70 125.26 3di4 s GLU 223 Ca 0.03 -0.88 0.09 0.00 0.36 0.00 0.00 54.97 54.57 3di4 s GLU 223 Cb -0.13 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 3di4 s GLU 223 CO -0.08 0.54 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.88 3di4 s PHE 224 N -0.54 2.02 -0.24 5.30 0.40 0.83 -0.37 117.98 125.37 3di4 s PHE 224 Ca 0.08 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.90 3di4 s PHE 224 Cb -0.11 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 3di4 s PHE 224 CO 0.00 0.26 0.16 0.12 0.70 0.00 0.00 175.22 176.46 3di4 s PHE 225 N -1.10 3.30 -0.28 0.36 5.36 0.91 -1.19 117.98 125.34 3di4 s PHE 225 Ca 0.10 0.20 -0.29 0.00 -0.96 0.00 0.00 56.93 55.98 3di4 s PHE 225 Cb -0.10 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 3di4 s PHE 225 CO 0.05 0.04 1.15 0.00 -1.46 0.00 0.00 175.22 175.00 3di4 s ALA 226 N 1.10 3.51 0.07 11.12 0.00 0.17 -1.08 121.76 136.65 3di4 s ALA 226 Ca 0.07 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.19 3di4 s ALA 226 Cb -0.14 -3.68 -0.19 0.00 0.00 0.00 0.00 23.12 19.11 3di4 s ALA 226 CO 0.05 -1.46 1.17 0.93 0.00 0.00 0.00 175.76 176.45 3di4 h GLU 227 N 8.30 0.00 -4.96 0.00 4.39 -1.88 0.17 114.58 120.60 3di4 h GLU 227 Ca -0.22 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.12 3di4 h GLU 227 Cb 1.07 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.58 3di4 h GLU 227 CO 1.02 0.86 -0.64 0.96 -1.16 0.00 0.00 179.01 180.06 3di4 s ILE 228 N -2.71 0.78 0.14 3.13 -4.36 -1.26 -4.18 121.20 112.74 3di4 s ILE 228 Ca 0.00 -2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 58.07 3di4 s ILE 228 Cb 0.09 -2.47 -0.10 0.00 1.25 0.00 0.00 42.46 41.24 3di4 s ILE 228 CO 0.82 -0.18 1.65 -1.81 0.24 0.00 0.00 174.94 175.65 3di4 s ASP 229 N -3.30 6.54 0.02 4.36 1.01 -1.26 -3.37 116.67 120.67 3di4 s ASP 229 Ca 0.32 2.63 0.09 0.00 0.71 0.00 0.00 52.55 56.30 3di4 s ASP 229 Cb 0.07 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3di4 s ASP 229 CO 0.11 -0.89 -0.26 -0.76 0.21 0.00 0.00 175.17 173.58 3di4 s LEU 230 N 1.81 2.12 -0.39 1.23 1.43 0.11 -1.55 118.68 123.45 3di4 s LEU 230 Ca 0.73 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3di4 s LEU 230 Cb -0.44 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3di4 s LEU 230 CO 0.32 0.27 0.23 -0.22 0.23 0.00 0.00 176.35 177.19 3di4 s LEU 231 N -0.98 4.86 0.46 1.79 2.96 0.35 -1.50 118.68 126.61 3di4 s LEU 231 Ca 0.11 -1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 52.89 3di4 s LEU 231 Cb -0.10 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3di4 s LEU 231 CO 0.01 -0.43 0.77 -0.83 -1.32 0.00 0.00 176.35 174.55 3di4 s GLY 232 N 1.68 1.56 -0.20 7.98 0.00 0.52 -0.56 107.32 118.29 3di4 s GLY 232 Ca 0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 3di4 s GLY 232 CO 0.06 -0.32 0.42 0.21 0.00 0.00 0.00 173.10 173.47 3di4 s ASN 233 N -3.96 -0.20 -0.08 1.64 2.47 -0.30 -1.34 114.94 113.16 3di4 s ASN 233 Ca 0.47 0.90 0.01 0.00 0.42 0.00 0.00 52.86 54.66 3di4 s ASN 233 Cb -0.10 1.33 0.02 0.00 -1.45 0.00 0.00 41.25 41.04 3di4 s ASN 233 CO 0.43 -0.24 -0.10 -0.22 -3.72 0.00 0.00 177.10 173.25 3di4 s LEU 234 N 2.61 1.47 -0.15 3.21 2.96 -0.65 -0.17 118.68 127.96 3di4 s LEU 234 Ca 0.00 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3di4 s LEU 234 Cb -0.12 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 3di4 s LEU 234 CO -0.13 -0.02 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.29 3di4 s SER 235 N 1.00 4.82 -0.66 3.68 0.15 -0.09 -1.37 113.70 121.23 3di4 s SER 235 Ca -0.08 -0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 3di4 s SER 235 Cb -0.15 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 3di4 s SER 235 CO -0.00 0.18 1.07 0.00 1.20 0.00 0.00 173.24 175.69 3di4 s ALA 236 N 0.28 3.00 0.38 5.45 0.00 -0.43 -0.84 121.76 129.60 3di4 s ALA 236 Ca -0.03 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 3di4 s ALA 236 Cb -0.14 -3.97 -0.11 0.00 0.00 0.00 0.00 23.12 18.90 3di4 s ALA 236 CO 0.03 -2.86 1.50 0.00 0.00 0.00 0.00 175.76 174.43 3di4 n PRO 238 N 0.45 0.12 0.00 0.00 -0.04 -1.26 -1.80 135.00 132.47 3di4 n PRO 238 Ca 0.01 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 3di4 n PRO 238 Cb 0.39 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.77 3di4 n PRO 238 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3di4 n GLY 239 N -0.27 -1.00 7.00 0.55 0.00 -1.26 -4.34 105.19 105.87 3di4 n GLY 239 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3di4 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3di4 n GLY 240 N 0.31 4.16 0.17 -0.02 0.00 -0.75 -0.49 105.19 108.58 3di4 n GLY 240 Ca 0.07 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3di4 n GLY 240 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3di4 n ASP 241 N 7.76 0.52 -3.20 1.61 5.75 -1.22 -0.99 116.55 126.78 3di4 n ASP 241 Ca 0.00 -1.53 -0.23 0.00 -0.01 0.00 0.00 54.79 53.01 3di4 n ASP 241 Cb 0.00 -0.03 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 3di4 n ASP 241 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3di4 n SER 243 N -2.62 2.48 -4.77 0.00 3.41 -1.26 -3.26 113.62 107.60 3di4 n SER 243 Ca -0.07 -1.82 -0.37 0.00 -0.26 0.00 0.00 58.87 56.34 3di4 n SER 243 Cb 0.60 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3di4 n SER 243 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3di4 s SER 244 N -1.79 6.35 0.00 4.04 0.01 -1.26 -4.73 113.70 116.31 3di4 s SER 244 Ca 0.34 2.30 0.10 0.00 1.31 0.00 0.00 55.95 60.00 3di4 s SER 244 Cb 0.20 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.99 3di4 s SER 244 CO 0.31 -0.79 0.99 -1.84 0.41 0.00 0.00 173.24 172.31 3di4 n GLU 245 N -0.24 1.38 -3.56 12.44 0.28 -1.26 -5.00 120.64 124.68 3di4 n GLU 245 Ca 0.06 -1.46 -0.15 0.00 -0.16 0.00 0.00 57.16 55.45 3di4 n GLU 245 Cb 0.48 -1.22 -0.06 0.00 1.43 0.00 0.00 31.44 32.07 3di4 n GLU 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3di4 s ALA 251 N -0.92 -1.83 -0.30 -1.84 0.00 -1.26 -5.29 121.76 110.33 3di4 s ALA 251 Ca 0.16 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 3di4 s ALA 251 Cb 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3di4 s ALA 251 CO 0.14 -0.34 1.15 0.45 0.00 0.00 0.00 175.76 177.16 3di4 s SER 252 N -0.87 6.87 0.21 0.00 0.15 -1.26 -4.83 113.70 113.97 3di4 s SER 252 Ca -0.06 1.17 0.10 0.00 0.70 0.00 0.00 55.95 57.85 3di4 s SER 252 Cb -0.01 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3di4 s SER 252 CO 0.06 -0.92 -0.10 0.00 1.20 0.00 0.00 173.24 173.48 3di4 s HIS 254 N -1.93 0.55 0.95 0.00 3.76 -1.26 -4.92 115.29 112.42 3di4 s HIS 254 Ca 0.26 -1.07 -0.12 0.00 -0.15 0.00 0.00 55.06 53.98 3di4 s HIS 254 Cb -0.08 -0.39 0.16 0.00 1.11 0.00 0.00 32.58 33.38 3di4 s HIS 254 CO 0.16 -0.40 1.12 -2.14 -0.85 0.00 0.00 174.74 172.63 3di4 s PRO 255 N -3.93 0.86 0.07 8.40 0.02 -1.26 -3.94 135.00 135.22 3di4 s PRO 255 Ca 0.09 0.34 0.08 0.00 0.02 0.00 0.00 61.00 61.52 3di4 s PRO 255 Cb 0.08 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.77 3di4 s PRO 255 CO -0.09 -2.40 -0.21 -0.51 -0.33 0.00 0.00 177.00 173.47 3di4 s LEU 256 N -6.18 2.23 -0.21 -5.54 1.43 -0.21 -4.27 118.68 105.92 3di4 s LEU 256 Ca 0.64 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3di4 s LEU 256 Cb -0.16 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.12 3di4 s LEU 256 CO 0.55 0.12 -0.08 -0.22 0.23 0.00 0.00 176.35 176.94 3di4 s LEU 257 N -1.51 2.74 -0.21 1.79 2.96 -0.81 -0.38 118.68 123.26 3di4 s LEU 257 Ca 0.07 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 3di4 s LEU 257 Cb -0.09 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3di4 s LEU 257 CO 0.03 -0.00 0.08 -0.69 -1.32 0.00 0.00 176.35 174.45 3di4 s VAL 258 N 1.36 4.80 0.01 1.68 1.01 0.10 -0.50 120.40 128.86 3di4 s VAL 258 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.07 3di4 s VAL 258 Cb -0.14 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3di4 s VAL 258 CO -0.04 0.42 -0.20 -1.61 0.00 0.00 0.00 175.10 173.66 3di4 s GLU 259 N 0.73 1.50 -0.10 2.72 2.02 -0.26 -0.40 118.70 124.92 3di4 s GLU 259 Ca 0.04 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3di4 s GLU 259 Cb -0.13 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 3di4 s GLU 259 CO 0.02 0.40 -0.13 0.42 0.02 0.00 0.00 175.26 175.99 3di4 s ILE 260 N -0.63 3.08 0.04 -1.63 -1.09 -0.39 -0.80 121.20 119.79 3di4 s ILE 260 Ca 0.07 -0.68 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 3di4 s ILE 260 Cb -0.08 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 3di4 s ILE 260 CO 0.00 0.55 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.73 3di4 s PHE 261 N -0.10 1.53 -0.07 3.97 0.08 -0.51 -0.49 117.98 122.39 3di4 s PHE 261 Ca -0.02 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 56.73 3di4 s PHE 261 Cb -0.14 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3di4 s PHE 261 CO 0.04 0.06 -0.25 0.00 -0.10 0.00 0.00 175.22 174.97 3di4 s ALA 262 N -0.78 2.17 0.71 5.36 0.00 0.11 -1.18 121.76 128.16 3di4 s ALA 262 Ca 0.05 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3di4 s ALA 262 Cb -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3di4 s ALA 262 CO 0.01 0.39 1.08 -1.25 0.00 0.00 0.00 175.76 176.00 3di4 s PRO 263 N -0.05 2.65 0.76 0.00 0.04 -1.26 -1.18 135.00 135.97 3di4 s PRO 263 Ca -0.07 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 3di4 s PRO 263 Cb -0.15 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3di4 s PRO 263 CO 0.05 -1.34 1.21 0.00 0.04 0.00 0.00 177.00 176.96 3di4 s ALA 264 N -2.75 2.00 0.32 8.56 0.00 -1.25 -4.86 121.76 123.77 3di4 s ALA 264 Ca 0.62 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 3di4 s ALA 264 Cb -0.17 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.35 3di4 s ALA 264 CO 0.50 -2.06 1.48 0.39 0.00 0.00 0.00 175.76 176.07 3di4 n GLU 265 N -2.97 2.49 -1.44 0.00 -0.58 -1.26 -4.66 120.64 112.22 3di4 n GLU 265 Ca 0.13 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 3di4 n GLU 265 Cb 0.50 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 28.78 3di4 n GLU 265 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3di4 n GLY 266 N 1.37 0.07 0.00 0.62 0.00 -1.26 -5.07 105.19 100.91 3di4 n GLY 266 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3di4 n GLY 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3di4 n LEU 268 N -1.09 0.00 0.00 0.99 4.77 -1.26 -4.93 117.00 115.47 3di4 n LEU 268 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3di4 n LEU 268 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3di4 n LEU 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3di4 n GLY 269 N 0.00 3.31 1.67 -0.72 0.00 -1.26 -1.36 105.19 106.83 3di4 n GLY 269 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3di4 n GLY 269 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3di4 n ASP 270 N 4.39 5.22 -4.69 1.61 8.00 -1.26 -4.98 116.55 124.85 3di4 n ASP 270 Ca 0.00 -2.79 -0.44 0.00 0.71 0.00 0.00 54.79 52.27 3di4 n ASP 270 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 3di4 n ASP 270 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3di4 n TRP 271 N 0.63 2.54 -3.68 1.24 -0.00 -0.47 -4.97 117.44 112.73 3di4 n TRP 271 Ca 0.26 -0.07 -0.36 0.00 -0.00 0.00 0.00 57.50 57.33 3di4 n TRP 271 Cb 1.07 -2.70 -0.07 0.00 -0.00 0.00 0.00 31.31 29.61 3di4 n TRP 271 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3di4 s PRO 272 N 2.61 3.97 0.16 5.87 0.04 -1.26 -5.07 135.00 141.33 3di4 s PRO 272 Ca 0.83 -0.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.53 3di4 s PRO 272 Cb -0.54 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.56 3di4 s PRO 272 CO 0.39 0.46 1.70 0.45 0.04 0.00 0.00 177.00 180.04 3di4 s SER 273 N -0.15 6.47 0.40 6.66 0.15 -1.26 -4.91 113.70 121.06 3di4 s SER 273 Ca 0.14 2.73 -0.27 0.00 0.70 0.00 0.00 55.95 59.25 3di4 s SER 273 Cb -0.13 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.50 3di4 s SER 273 CO 0.03 -0.93 1.46 -2.16 1.20 0.00 0.00 173.24 172.84 3di4 s PRO 274 N 1.75 4.00 0.55 5.44 0.04 -1.26 -5.01 135.00 140.51 3di4 s PRO 274 Ca 0.75 2.51 -0.04 0.00 0.04 0.00 0.00 61.00 64.26 3di4 s PRO 274 Cb -0.46 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3di4 s PRO 274 CO 0.33 -0.60 0.83 -1.12 0.04 0.00 0.00 177.00 176.48 3di4 s SER 275 N -0.26 5.67 0.74 6.66 0.01 -1.26 -4.96 113.70 120.30 3di4 s SER 275 Ca 0.55 0.58 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 3di4 s SER 275 Cb -0.45 -1.65 0.05 0.00 0.21 0.00 0.00 66.02 64.17 3di4 s SER 275 CO 0.61 -0.95 1.19 0.68 0.41 0.00 0.00 173.24 175.18 3di4 s VAL 276 N -2.85 2.36 0.45 3.43 -7.23 -1.26 -4.78 120.40 110.52 3di4 s VAL 276 Ca 0.52 0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.63 3di4 s VAL 276 Cb -0.10 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 3di4 s VAL 276 CO 0.43 -0.10 0.89 -3.20 -0.31 0.00 0.00 175.10 172.80 3di4 n ASN 277 N -2.87 0.66 -0.38 4.85 2.85 0.24 -4.91 115.26 115.70 3di4 n ASN 277 Ca 0.13 0.96 0.13 0.00 -0.11 0.00 0.00 54.58 55.70 3di4 n ASN 277 Cb 0.51 -1.30 0.37 0.00 1.24 0.00 0.00 39.78 40.60 3di4 n ASN 277 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3di4 n GLY 278 N 1.35 -0.28 3.64 8.20 0.00 -1.26 -4.95 105.19 111.89 3di4 n GLY 278 Ca 0.10 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3di4 n GLY 278 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3di4 n TYR 279 N -0.24 1.70 0.50 1.61 9.36 -1.26 -4.85 117.16 123.98 3di4 n TYR 279 Ca 0.14 0.62 0.07 0.00 3.32 0.00 0.00 57.90 62.04 3di4 n TYR 279 Cb 0.37 -2.32 0.30 0.00 -0.63 0.00 0.00 39.34 37.07 3di4 n TYR 279 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3di4 n ASP 280 N 0.90 0.00 -1.16 2.98 5.68 -1.26 -4.87 116.55 118.82 3di4 n ASP 280 Ca 0.07 0.44 -0.15 0.00 -0.50 0.00 0.00 54.79 54.65 3di4 n ASP 280 Cb 0.35 -0.47 -0.06 0.00 -1.14 0.00 0.00 41.12 39.79 3di4 n ASP 280 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3di4 n ARG 281 N -1.47 -1.48 0.08 0.11 1.74 -1.26 -4.89 116.66 109.50 3di4 n ARG 281 Ca 0.04 1.03 -0.07 0.00 -0.77 0.00 0.00 57.85 58.07 3di4 n ARG 281 Cb 0.15 -5.37 -0.04 0.00 -1.02 0.00 0.00 32.46 26.18 3di4 n ARG 281 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3di4 h SER 282 N 0.00 0.09 -2.70 0.55 4.64 -1.89 -3.47 113.55 110.77 3di4 h SER 282 Ca -0.31 -0.08 -0.36 0.00 -0.47 0.00 0.00 61.79 60.56 3di4 h SER 282 Cb 1.20 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 3di4 h SER 282 CO 0.45 0.96 -0.43 1.41 -0.87 0.00 0.00 176.83 178.36 3di4 n HIS 283 N -3.52 -0.87 -0.75 4.77 8.25 -1.26 -1.46 115.22 120.38 3di4 n HIS 283 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3di4 n HIS 283 Cb 0.86 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 28.51 3di4 n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3di4 n GLY 284 N -0.78 0.83 0.69 -1.41 0.00 -1.26 -5.28 105.19 97.98 3di4 n GLY 284 Ca -0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3di4 n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86