#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s GLU 2 N 0.00 0.53 1.14 0.03 2.02 -1.26 -3.91 118.70 117.25 3dll s GLU 2 Ca 0.00 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 3dll s GLU 2 Cb 0.00 -0.75 0.14 0.00 0.10 0.00 0.00 34.13 33.62 3dll s GLU 2 CO 0.00 -1.14 0.16 -0.11 0.02 0.00 0.00 175.26 174.19 3dll n LEU 3 N 4.58 -2.22 0.00 1.80 -0.00 -1.19 -4.63 117.00 115.34 3dll n LEU 3 Ca 0.07 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 3dll n LEU 3 Cb 0.45 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 3dll n LEU 3 CO 0.06 -3.15 0.00 0.35 -0.00 0.00 0.00 177.39 174.65 3dll n THR 4 N -4.57 0.00 -0.21 1.96 -2.24 0.45 -2.27 114.28 107.40 3dll n THR 4 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3dll n THR 4 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3dll n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dll n ALA 5 N -3.00 0.00 0.00 6.98 0.00 -1.25 -4.28 120.51 118.96 3dll n ALA 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dll n ALA 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3dll n LYS 6 N 0.83 0.00 -1.77 0.00 2.85 -1.23 -3.03 118.16 115.81 3dll n LYS 6 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 3dll n LYS 6 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 3dll n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3dll s PRO 7 N 0.00 3.23 0.36 -1.58 0.04 -1.26 -4.64 135.00 131.15 3dll s PRO 7 Ca 0.00 0.76 0.08 0.00 0.04 0.00 0.00 61.00 61.88 3dll s PRO 7 Cb 0.00 -2.04 0.80 0.00 0.04 0.00 0.00 34.50 33.30 3dll s PRO 7 CO 0.00 -0.84 1.88 0.00 0.04 0.00 0.00 177.00 178.09 3dll h ARG 8 N -0.52 0.69 -5.73 4.56 3.08 -2.02 -3.43 114.38 111.01 3dll h ARG 8 Ca -0.44 -0.04 -0.60 0.00 0.07 0.00 0.00 59.98 58.97 3dll h ARG 8 Cb 1.21 -0.15 0.15 0.00 0.08 0.00 0.00 29.97 31.25 3dll h ARG 8 CO 0.61 0.45 -0.89 2.41 -1.07 0.00 0.00 179.97 181.48 3dll n THR 9 N -4.54 0.66 -0.06 2.04 -1.04 -1.26 -4.97 114.28 105.10 3dll n THR 9 Ca 0.16 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 3dll n THR 9 Cb 0.43 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.80 3dll n THR 9 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3dll n PRO 10 N 1.27 0.68 0.00 -2.82 -0.04 -1.26 -4.77 135.00 128.06 3dll n PRO 10 Ca 0.11 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3dll n PRO 10 Cb 0.38 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3dll n PRO 10 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3dll n LYS 11 N -3.12 0.00 -0.09 0.54 3.00 -1.26 -2.88 118.16 114.34 3dll n LYS 11 Ca -0.32 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3dll n LYS 11 Cb 1.06 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 35.74 3dll n LYS 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3dll n GLN 12 N -0.37 0.00 0.00 1.64 6.02 -1.26 -0.63 117.38 122.77 3dll n GLN 12 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3dll n GLN 12 Cb 0.00 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.34 3dll n GLN 12 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3dll n LYS 13 N 2.27 0.00 -0.35 -1.09 2.85 -1.22 -4.90 118.16 115.71 3dll n LYS 13 Ca 0.00 0.00 0.32 0.00 -1.05 0.00 0.00 58.31 57.58 3dll n LYS 13 Cb 0.00 0.00 0.58 0.00 -0.65 0.00 0.00 35.03 34.96 3dll n LYS 13 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3dll h LEU 14 N 0.00 0.34 0.03 -5.58 3.38 -0.73 -0.00 115.31 112.76 3dll h LEU 14 Ca 0.00 0.22 -0.30 0.00 0.09 0.00 0.00 57.88 57.89 3dll h LEU 14 Cb 0.00 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3dll h LEU 14 CO 0.00 -0.33 -1.68 0.47 0.09 0.00 0.00 178.44 176.99 3dll n ASP 15 N -5.11 1.95 -4.64 -0.43 8.00 -1.26 -4.81 116.55 110.26 3dll n ASP 15 Ca 0.37 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 3dll n ASP 15 Cb 1.26 -0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 3dll n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dll s GLU 16 N -2.44 4.09 -0.88 -1.24 8.01 -0.01 -4.88 118.70 121.34 3dll s GLU 16 Ca -0.29 1.06 -0.13 0.00 0.01 0.00 0.00 54.97 55.62 3dll s GLU 16 Cb 0.07 -3.72 -0.26 0.00 -4.31 0.00 0.00 34.13 25.91 3dll s GLU 16 CO 0.63 -0.82 2.14 -1.13 0.01 0.00 0.00 175.26 176.09 3dll n SER 17 N 6.68 -0.57 -3.89 -0.19 3.41 -1.25 -4.48 113.62 113.32 3dll n SER 17 Ca 0.11 -0.91 -0.19 0.00 -0.26 0.00 0.00 58.87 57.62 3dll n SER 17 Cb 0.47 -0.87 -0.16 0.00 -0.26 0.00 0.00 64.21 63.39 3dll n SER 17 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3dll s MET 18 N 7.42 0.69 0.25 4.33 -1.94 -1.25 -1.81 119.30 126.99 3dll s MET 18 Ca 1.12 -0.09 -0.14 0.00 -1.71 0.00 0.00 55.69 54.87 3dll s MET 18 Cb -0.58 -0.72 -0.08 0.00 2.01 0.00 0.00 34.83 35.46 3dll s MET 18 CO 0.39 -0.06 0.64 0.42 -0.01 0.00 0.00 175.02 176.41 3dll s ILE 19 N 0.78 4.78 0.43 2.53 -1.09 -1.23 -4.83 121.20 122.56 3dll s ILE 19 Ca -0.10 0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 58.95 3dll s ILE 19 Cb -0.13 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 3dll s ILE 19 CO -0.00 -0.04 0.89 0.00 -1.23 0.00 0.00 174.94 174.56 3dll s ALA 20 N -1.80 3.14 -0.12 9.38 0.00 1.12 -4.02 121.76 129.46 3dll s ALA 20 Ca 0.48 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 3dll s ALA 20 Cb -0.12 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.05 3dll s ALA 20 CO 0.19 0.06 0.62 0.00 0.00 0.00 0.00 175.76 176.63 3dll s ALA 21 N -2.28 -1.57 -0.12 0.00 0.00 -1.25 0.24 121.76 116.78 3dll s ALA 21 Ca 0.58 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.89 3dll s ALA 21 Cb -0.10 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.67 3dll s ALA 21 CO 0.21 -0.33 0.25 0.14 0.00 0.00 0.00 175.76 176.03 3dll s VAL 22 N -0.59 -0.40 -0.22 0.00 -7.23 0.34 -4.13 120.40 108.17 3dll s VAL 22 Ca -0.07 0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 60.30 3dll s VAL 22 Cb -0.02 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 3dll s VAL 22 CO 0.06 0.12 0.11 0.00 -0.31 0.00 0.00 175.10 175.08 3dll s ALA 23 N 2.40 3.46 0.19 1.32 0.00 -1.25 0.11 121.76 128.00 3dll s ALA 23 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3dll s ALA 23 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 3dll s ALA 23 CO -0.08 -0.10 0.07 2.48 0.00 0.00 0.00 175.76 178.13 3dll n TYR 24 N 4.10 0.05 0.00 0.00 0.18 -0.72 -3.75 117.16 117.02 3dll n TYR 24 Ca -0.16 -1.25 0.00 0.00 1.88 0.00 0.00 57.90 58.37 3dll n TYR 24 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 3dll n TYR 24 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3dll n ASN 25 N -1.83 0.00 0.00 9.48 0.23 -1.23 -2.24 115.26 119.67 3dll n ASN 25 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3dll n ASN 25 Cb 0.29 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3dll n ASN 25 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3dll n LYS 26 N 0.00 0.00 -0.07 -3.83 4.81 -1.26 -4.96 118.16 112.85 3dll n LYS 26 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3dll n LYS 26 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 3dll n LYS 26 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3dll n GLU 27 N 0.00 0.75 -3.67 1.64 1.02 -1.26 -5.00 120.64 114.11 3dll n GLU 27 Ca 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 3dll n GLU 27 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 3dll n GLU 27 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dll s ASN 28 N -5.11 -0.68 -0.06 1.62 4.22 -1.26 -4.97 114.94 108.71 3dll s ASN 28 Ca -0.09 1.19 0.09 0.00 -2.14 0.00 0.00 52.86 51.91 3dll s ASN 28 Cb 0.08 1.12 0.14 0.00 1.28 0.00 0.00 41.25 43.87 3dll s ASN 28 CO 0.83 -0.21 1.05 0.59 -2.04 0.00 0.00 177.10 177.32 3dll n ASN 29 N 3.67 1.22 -1.57 3.54 3.02 -1.25 -3.45 115.26 120.44 3dll n ASN 29 Ca -0.18 -2.48 -0.15 0.00 -0.03 0.00 0.00 54.58 51.74 3dll n ASN 29 Cb 0.57 -0.29 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3dll n ASN 29 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3dll n VAL 30 N -0.71 0.00 -3.17 2.41 0.31 -1.26 -4.79 118.33 111.12 3dll n VAL 30 Ca 0.08 -0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 3dll n VAL 30 Cb 0.64 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.52 3dll n VAL 30 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dll s SER 31 N -0.39 6.86 0.00 4.52 0.01 -1.26 -4.67 113.70 118.77 3dll s SER 31 Ca 0.15 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.44 3dll s SER 31 Cb -0.04 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.84 3dll s SER 31 CO 0.31 -0.05 0.00 0.49 0.41 0.00 0.00 173.24 174.39 3dll n PHE 32 N 3.68 -0.47 0.00 2.43 0.99 -1.26 -4.68 117.46 118.15 3dll n PHE 32 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3dll n PHE 32 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.99 3dll n PHE 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dll n ALA 33 N -3.00 0.00 -3.00 4.37 0.00 -1.17 -3.58 120.51 114.13 3dll n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dll n ALA 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3dll n LEU 34 N 0.00 0.00 -4.66 0.00 -0.00 -1.26 0.17 117.00 111.25 3dll n LEU 34 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 3dll n LEU 34 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 3dll n LEU 34 CO 0.00 0.00 1.07 -0.62 -0.00 0.00 0.00 177.39 177.84 3dll s ASP 35 N -0.84 6.95 0.00 1.45 -1.08 -1.26 -3.57 116.67 118.32 3dll s ASP 35 Ca 0.00 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.76 3dll s ASP 35 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3dll s ASP 35 CO 0.00 -0.74 0.51 -1.14 0.52 0.00 0.00 175.17 174.32 3dll n ARG 36 N 6.37 0.00 0.00 4.34 0.63 -0.75 -3.13 116.66 124.12 3dll n ARG 36 Ca 0.13 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 3dll n ARG 36 Cb 0.45 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.30 3dll n ARG 36 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3dll n LYS 37 N -1.10 0.00 -0.06 -0.14 4.81 -1.26 0.38 118.16 120.78 3dll n LYS 37 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3dll n LYS 37 Cb 0.00 0.00 0.54 0.00 0.02 0.00 0.00 35.03 35.59 3dll n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dll h ALA 38 N 0.00 2.12 0.34 3.14 0.00 -1.97 0.33 119.26 123.22 3dll h ALA 38 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dll h ALA 38 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dll h ALA 38 CO 0.00 -0.26 -0.16 0.35 0.00 0.00 0.00 179.25 179.18 3dll h PHE 39 N 0.31 -0.42 -0.16 0.00 3.57 0.69 -1.04 116.94 119.89 3dll h PHE 39 Ca 0.27 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3dll h PHE 39 Cb 0.64 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3dll h PHE 39 CO -0.00 -0.08 0.40 -0.44 -2.23 0.00 0.00 178.31 175.96 3dll h ASP 40 N -0.87 0.00 1.67 0.41 3.45 0.54 1.25 116.42 122.87 3dll h ASP 40 Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3dll h ASP 40 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3dll h ASP 40 CO 0.08 0.00 -0.31 -0.09 -1.57 0.00 0.00 179.24 177.34 3dll h ARG 41 N 0.00 0.00 0.00 3.56 2.43 0.20 -3.41 114.38 117.16 3dll h ARG 41 Ca 0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3dll h ARG 41 Cb 0.87 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3dll h ARG 41 CO -0.00 0.00 -1.27 0.00 -1.51 0.00 0.00 179.97 177.18 3dll n ALA 42 N -2.12 1.90 0.00 2.80 0.00 0.42 -4.53 120.51 118.98 3dll n ALA 42 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3dll n ALA 42 Cb 0.53 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.20 3dll n ALA 42 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dll n PHE 43 N -2.26 0.00 0.12 0.00 7.35 -0.34 0.20 117.46 122.53 3dll n PHE 43 Ca -0.07 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.71 3dll n PHE 43 Cb 0.62 -0.29 0.02 0.00 0.35 0.00 0.00 39.48 40.18 3dll n PHE 43 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 3dll h ARG 44 N 0.00 0.00 0.00 -4.13 2.43 -1.80 -1.31 114.38 109.57 3dll h ARG 44 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3dll h ARG 44 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3dll h ARG 44 CO 0.00 0.07 -0.73 1.04 -1.51 0.00 0.00 179.97 178.84 3dll n GLN 45 N -2.81 0.48 -0.02 0.20 1.13 0.53 -4.65 117.38 112.23 3dll n GLN 45 Ca -0.01 0.47 -0.15 0.00 -1.94 0.00 0.00 57.00 55.37 3dll n GLN 45 Cb 0.60 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.19 3dll n GLN 45 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3dll h GLN 46 N -1.00 0.19 0.00 -1.09 4.20 -1.48 -3.47 115.11 112.46 3dll h GLN 46 Ca -0.05 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3dll h GLN 46 Cb 0.71 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3dll h GLN 46 CO -0.03 0.94 0.00 0.45 -0.67 0.00 0.00 178.83 179.52 3dll n SER 47 N -4.48 -3.95 0.00 1.46 2.88 -0.49 -1.32 113.62 107.72 3dll n SER 47 Ca -0.10 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.67 3dll n SER 47 Cb 0.52 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.68 3dll n SER 47 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3dll h THR 48 N 0.00 0.32 -1.06 2.46 1.35 -1.87 -2.29 112.91 111.83 3dll h THR 48 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.26 3dll h THR 48 Cb 0.00 0.53 -0.39 0.00 -1.73 0.00 0.00 68.15 66.56 3dll h THR 48 CO 0.00 0.00 -0.36 0.35 -0.25 0.00 0.00 175.52 175.26 3dll n THR 49 N -3.69 2.77 -4.74 6.82 -2.24 -1.09 -4.69 114.28 107.42 3dll n THR 49 Ca 0.11 -4.15 -0.25 0.00 -2.27 0.00 0.00 64.05 57.49 3dll n THR 49 Cb 0.82 -1.18 -0.15 0.00 -2.10 0.00 0.00 70.33 67.72 3dll n THR 49 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dll s GLY 50 N -3.08 0.96 -0.03 3.38 0.00 -0.44 -4.53 107.32 103.58 3dll s GLY 50 Ca 0.53 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 44.42 3dll s GLY 50 CO -0.05 -0.79 -0.20 1.08 0.00 0.00 0.00 173.10 173.14 3dll s LEU 51 N -0.77 2.37 0.00 0.66 1.43 -1.26 -4.71 118.68 116.41 3dll s LEU 51 Ca 0.07 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3dll s LEU 51 Cb -0.08 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3dll s LEU 51 CO 0.00 0.33 0.00 0.33 0.23 0.00 0.00 176.35 177.25 3dll n PHE 52 N 2.37 0.00 -3.85 0.29 7.35 -1.26 -5.04 117.46 117.32 3dll n PHE 52 Ca -0.17 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.17 3dll n PHE 52 Cb 0.52 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.25 3dll n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3dll s ASP 53 N 1.39 5.73 -0.66 -2.13 -0.00 -1.26 -3.79 116.67 115.96 3dll s ASP 53 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 52.55 52.56 3dll s ASP 53 Cb 0.00 -2.01 0.06 0.00 -0.00 0.00 0.00 42.92 40.97 3dll s ASP 53 CO 0.00 0.11 2.72 -0.38 -0.00 0.00 0.00 175.17 177.62 3dll n ILE 54 N 3.96 3.79 -1.54 0.77 2.08 0.60 -4.69 119.36 124.34 3dll n ILE 54 Ca -0.16 -3.26 -0.42 0.00 0.56 0.00 0.00 62.75 59.47 3dll n ILE 54 Cb 0.52 -1.74 -0.02 0.00 -0.75 0.00 0.00 39.64 37.65 3dll n ILE 54 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3dll n THR 55 N 1.17 2.83 -1.00 1.39 -1.04 -1.25 -0.91 114.28 115.48 3dll n THR 55 Ca 0.52 -2.49 -0.29 0.00 -2.04 0.00 0.00 64.05 59.75 3dll n THR 55 Cb 0.49 -2.49 0.22 0.00 -1.82 0.00 0.00 70.33 66.73 3dll n THR 55 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dll s VAL 56 N 3.99 1.75 -0.81 12.58 1.01 -1.26 -3.15 120.40 134.51 3dll s VAL 56 Ca 0.51 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3dll s VAL 56 Cb 0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3dll s VAL 56 CO -0.01 0.00 1.72 -0.70 0.00 0.00 0.00 175.10 176.12 3dll s GLU 57 N -5.12 2.87 0.00 2.72 2.12 -0.96 -3.73 118.70 116.59 3dll s GLU 57 Ca 0.68 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.85 3dll s GLU 57 Cb -0.15 -4.78 0.00 0.00 0.26 0.00 0.00 34.13 29.46 3dll s GLU 57 CO 0.58 -2.78 0.00 0.41 -0.54 0.00 0.00 175.26 172.93 3dll n GLY 58 N 6.28 1.45 0.00 -1.50 0.00 -1.26 -5.02 105.19 105.15 3dll n GLY 58 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3dll n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 59 N 0.00 3.13 0.43 -0.02 0.00 -1.24 -5.09 105.19 102.40 3dll n GLY 59 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dll n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dll n GLU 60 N 0.00 0.00 -4.19 1.61 1.02 -1.26 -4.96 120.64 112.86 3dll n GLU 60 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3dll n GLU 60 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3dll n GLU 60 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3dll n THR 61 N -2.11 -1.18 -0.63 2.62 -1.04 -0.09 -4.91 114.28 106.95 3dll n THR 61 Ca 0.00 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.69 3dll n THR 61 Cb 0.00 -1.84 0.19 0.00 -1.82 0.00 0.00 70.33 66.86 3dll n THR 61 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3dll n PHE 62 N -4.42 -0.66 -3.96 -1.42 0.99 -1.22 -3.52 117.46 103.26 3dll n PHE 62 Ca 0.07 0.14 -0.34 0.00 -0.00 0.00 0.00 57.45 57.32 3dll n PHE 62 Cb 0.50 -1.79 -0.14 0.00 -1.00 0.00 0.00 39.48 37.05 3dll n PHE 62 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3dll s PRO 63 N -4.17 2.75 0.00 -1.08 0.04 -1.25 0.22 135.00 131.52 3dll s PRO 63 Ca 0.64 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.64 3dll s PRO 63 Cb -0.22 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3dll s PRO 63 CO 0.64 -0.44 0.00 0.00 0.04 0.00 0.00 177.00 177.24 3dll n ALA 64 N 4.65 0.00 -3.63 8.56 0.00 -1.26 0.15 120.51 128.98 3dll n ALA 64 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 3dll n ALA 64 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3dll n ALA 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dll s LEU 65 N 0.00 -1.16 -0.12 0.00 2.96 0.18 -4.13 118.68 116.42 3dll s LEU 65 Ca 0.00 1.55 -0.40 0.00 -0.22 0.00 0.00 54.13 55.05 3dll s LEU 65 Cb 0.00 2.30 -0.18 0.00 0.50 0.00 0.00 46.19 48.81 3dll s LEU 65 CO 0.00 -0.22 1.35 0.52 -1.32 0.00 0.00 176.35 176.68 3dll n VAL 66 N 5.45 0.05 -0.09 1.68 0.31 -1.25 0.40 118.33 124.88 3dll n VAL 66 Ca -0.12 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 63.98 3dll n VAL 66 Cb 0.49 -0.52 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 3dll n VAL 66 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3dll n LYS 67 N 2.88 0.64 -3.58 5.55 3.00 0.71 -4.73 118.16 122.63 3dll n LYS 67 Ca 0.23 0.36 -0.02 0.00 -0.00 0.00 0.00 58.31 58.87 3dll n LYS 67 Cb 0.09 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 33.42 3dll n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dll s ALA 68 N -2.47 -2.27 -0.17 3.14 0.00 -1.25 -5.03 121.76 113.70 3dll s ALA 68 Ca -0.30 2.23 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 3dll s ALA 68 Cb 0.09 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3dll s ALA 68 CO 0.62 -0.62 0.02 0.08 0.00 0.00 0.00 175.76 175.85 3dll s VAL 69 N 1.98 4.39 -0.36 0.00 1.01 -1.26 -3.50 120.40 122.66 3dll s VAL 69 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3dll s VAL 69 Cb -0.06 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3dll s VAL 69 CO -0.17 0.47 0.09 -1.10 0.00 0.00 0.00 175.10 174.39 3dll s GLN 70 N 0.38 1.88 0.11 2.72 -1.52 -1.24 -5.08 119.66 116.91 3dll s GLN 70 Ca -0.00 -1.73 -0.02 0.00 -1.95 0.00 0.00 55.36 51.66 3dll s GLN 70 Cb -0.13 -3.33 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 3dll s GLN 70 CO 0.01 -0.92 0.13 0.00 -0.25 0.00 0.00 175.29 174.27 3dll n MET 71 N 4.46 -0.36 -3.55 2.91 0.00 -1.26 -3.50 117.12 115.81 3dll n MET 71 Ca -0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 57.70 57.08 3dll n MET 71 Cb 0.42 -0.15 -0.11 0.00 0.00 0.00 0.00 33.22 33.38 3dll n MET 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3dll s ASP 72 N -1.57 6.05 1.16 3.17 3.68 0.71 -4.74 116.67 125.13 3dll s ASP 72 Ca 0.08 -0.15 -0.15 0.00 2.13 0.00 0.00 52.55 54.46 3dll s ASP 72 Cb -0.00 -2.13 0.24 0.00 -1.45 0.00 0.00 42.92 39.57 3dll s ASP 72 CO 0.06 -0.13 0.54 0.29 0.13 0.00 0.00 175.17 176.05 3dll n LYS 73 N 5.11 -2.83 0.00 4.34 5.02 -1.26 -2.91 118.16 125.62 3dll n LYS 73 Ca -0.13 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 3dll n LYS 73 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3dll n LYS 73 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3dll n ARG 74 N -3.29 0.00 -1.52 1.97 0.63 -1.26 -4.21 116.66 108.99 3dll n ARG 74 Ca 0.09 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.78 3dll n ARG 74 Cb 0.37 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.11 3dll n ARG 74 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3dll n LYS 75 N 14.00 0.18 -1.32 -0.14 0.00 -1.26 -4.70 118.16 124.92 3dll n LYS 75 Ca 0.00 -0.19 -0.60 0.00 -0.00 0.00 0.00 58.31 57.52 3dll n LYS 75 Cb 0.00 -1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 33.11 3dll n LYS 75 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3dll n ARG 76 N 6.84 0.14 -3.22 -1.58 1.85 -1.24 -4.55 116.66 114.90 3dll n ARG 76 Ca 0.61 0.04 0.04 0.00 -1.00 0.00 0.00 57.85 57.54 3dll n ARG 76 Cb 0.21 -1.61 -0.03 0.00 -1.05 0.00 0.00 32.46 29.97 3dll n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dll s ALA 77 N 5.83 -3.28 0.87 2.89 0.00 -1.15 -4.92 121.76 122.00 3dll s ALA 77 Ca 1.17 1.71 -0.13 0.00 0.00 0.00 0.00 51.96 54.71 3dll s ALA 77 Cb -1.42 -2.33 0.07 0.00 0.00 0.00 0.00 23.12 19.44 3dll s ALA 77 CO 0.66 -1.14 0.87 -2.30 0.00 0.00 0.00 175.76 173.85 3dll n PRO 78 N 4.95 -0.11 0.00 0.00 -0.02 -1.26 0.25 135.00 138.82 3dll n PRO 78 Ca -0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3dll n PRO 78 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3dll n PRO 78 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3dll n ILE 79 N -3.51 0.00 -3.43 4.25 0.00 -1.24 -4.62 119.36 110.81 3dll n ILE 79 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 62.75 62.71 3dll n ILE 79 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 39.64 40.05 3dll n ILE 79 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3dll s HIS 80 N -1.00 -0.51 -0.09 9.51 5.04 -1.23 0.36 115.29 127.37 3dll s HIS 80 Ca 0.00 0.41 -0.06 0.00 -1.54 0.00 0.00 55.06 53.86 3dll s HIS 80 Cb 0.00 -0.23 -0.04 0.00 0.04 0.00 0.00 32.58 32.35 3dll s HIS 80 CO 0.00 -0.68 0.16 0.08 -2.34 0.00 0.00 174.74 171.95 3dll s VAL 81 N 2.41 5.48 -0.15 0.89 1.01 0.65 -3.67 120.40 127.02 3dll s VAL 81 Ca 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3dll s VAL 81 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3dll s VAL 81 CO -0.16 0.56 -0.03 -1.81 0.00 0.00 0.00 175.10 173.66 3dll s ASP 82 N -1.21 4.85 0.06 3.32 -0.00 -1.23 0.13 116.67 122.58 3dll s ASP 82 Ca 0.18 -0.10 0.08 0.00 -0.00 0.00 0.00 52.55 52.71 3dll s ASP 82 Cb -0.12 -1.73 -0.03 0.00 -0.00 0.00 0.00 42.92 41.03 3dll s ASP 82 CO 0.07 0.20 -0.21 -0.36 -0.00 0.00 0.00 175.17 174.87 3dll s PHE 83 N 0.21 2.47 -0.41 4.23 0.40 0.31 0.25 117.98 125.44 3dll s PHE 83 Ca -0.02 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3dll s PHE 83 Cb -0.14 -1.41 0.11 0.00 0.51 0.00 0.00 43.02 42.09 3dll s PHE 83 CO 0.03 0.24 0.21 -0.47 0.70 0.00 0.00 175.22 175.93 3dll s TYR 84 N -0.93 3.54 -0.18 0.36 5.04 1.32 -1.76 117.35 124.73 3dll s TYR 84 Ca 0.14 -2.29 -0.42 0.00 -2.44 0.00 0.00 57.07 52.07 3dll s TYR 84 Cb -0.10 -3.17 -0.19 0.00 0.35 0.00 0.00 41.96 38.85 3dll s TYR 84 CO 0.05 -0.96 1.35 -1.33 -1.34 0.00 0.00 175.55 173.32 3dll n MET 85 N 4.64 0.27 -2.21 4.97 2.81 -0.95 0.50 117.12 127.16 3dll n MET 85 Ca -0.04 0.10 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 3dll n MET 85 Cb 0.41 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3dll n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3dll s VAL 86 N 1.43 3.82 0.00 2.03 1.01 0.39 -4.76 120.40 124.30 3dll s VAL 86 Ca 0.96 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3dll s VAL 86 Cb -1.28 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 31.22 3dll s VAL 86 CO 0.65 -0.41 0.63 0.41 0.00 0.00 0.00 175.10 176.38 3dll n THR 87 N 6.54 0.00 0.00 3.92 -1.04 -1.26 -4.86 114.28 117.57 3dll n THR 87 Ca 0.18 1.13 0.00 0.00 -2.04 0.00 0.00 64.05 63.32 3dll n THR 87 Cb 0.46 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 3dll n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dll n TYR 88 N -0.97 0.00 0.07 -1.42 9.36 -1.26 -5.01 117.16 117.93 3dll n TYR 88 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3dll n TYR 88 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3dll n TYR 88 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dll n GLY 89 N 0.00 -0.20 3.17 2.98 0.00 -1.26 -4.31 105.19 105.57 3dll n GLY 89 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3dll n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dll s GLU 90 N -1.60 2.78 0.00 1.61 0.41 -1.26 -4.28 118.70 116.36 3dll s GLU 90 Ca 0.00 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 3dll s GLU 90 Cb 0.00 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 3dll s GLU 90 CO 0.00 -0.39 0.00 -0.35 -0.49 0.00 0.00 175.26 174.03 3dll n PRO 91 N 4.63 0.00 0.02 0.39 -0.04 -1.26 -4.82 135.00 133.92 3dll n PRO 91 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3dll n PRO 91 Cb 0.47 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 3dll n PRO 91 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3dll n VAL 92 N -2.06 0.00 -1.67 0.52 0.24 -1.26 -5.11 118.33 108.99 3dll n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dll n VAL 92 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dll n VAL 92 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dll n GLU 93 N -2.46 0.00 0.00 7.34 1.02 -1.26 -3.48 120.64 121.79 3dll n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dll n GLU 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3dll n GLU 93 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dll n VAL 94 N 0.00 0.00 -3.28 2.62 0.31 -0.58 -4.33 118.33 113.08 3dll n VAL 94 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3dll n VAL 94 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3dll n VAL 94 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dll s SER 95 N 0.00 6.35 -0.12 4.52 0.01 -1.26 0.22 113.70 123.42 3dll s SER 95 Ca 0.00 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.55 3dll s SER 95 Cb 0.00 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.99 3dll s SER 95 CO 0.00 -0.32 -0.11 -0.69 0.41 0.00 0.00 173.24 172.53 3dll s VAL 96 N 2.28 1.26 -0.21 3.43 1.01 1.32 -4.55 120.40 124.94 3dll s VAL 96 Ca 0.19 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 3dll s VAL 96 Cb -0.16 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3dll s VAL 96 CO 0.11 0.41 2.20 -2.16 0.00 0.00 0.00 175.10 175.65 3dll s PRO 97 N 1.55 3.17 1.16 2.72 0.04 -1.26 0.26 135.00 142.64 3dll s PRO 97 Ca 0.04 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 3dll s PRO 97 Cb -0.13 -4.36 0.19 0.00 0.04 0.00 0.00 34.50 30.24 3dll s PRO 97 CO -0.08 -2.06 0.33 1.55 0.04 0.00 0.00 177.00 176.78 3dll n VAL 98 N 7.65 0.00 -3.60 -0.36 3.14 -0.10 -4.10 118.33 120.97 3dll n VAL 98 Ca 0.29 -0.24 -0.16 0.00 -2.96 0.00 0.00 64.34 61.27 3dll n VAL 98 Cb 0.45 -0.69 -0.07 0.00 -1.06 0.00 0.00 33.84 32.47 3dll n VAL 98 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3dll s HIS 99 N -2.20 -0.56 0.05 1.45 2.46 -0.16 -4.83 115.29 111.51 3dll s HIS 99 Ca 0.55 1.05 0.07 0.00 0.47 0.00 0.00 55.06 57.20 3dll s HIS 99 Cb -0.13 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.60 3dll s HIS 99 CO 0.58 -0.51 -0.17 0.99 -2.47 0.00 0.00 174.74 173.16 3dll s THR 100 N -0.92 2.89 0.37 0.89 2.01 -1.26 0.25 115.64 119.88 3dll s THR 100 Ca -0.09 -1.21 -0.10 0.00 0.31 0.00 0.00 61.69 60.59 3dll s THR 100 Cb -0.02 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3dll s THR 100 CO 0.07 0.29 0.66 0.42 -0.69 0.00 0.00 174.62 175.37 3dll s THR 101 N -0.98 0.00 0.17 -0.82 -4.23 -1.00 -4.86 115.64 103.93 3dll s THR 101 Ca 0.16 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3dll s THR 101 Cb -0.11 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3dll s THR 101 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3dll n GLY 102 N -0.55 -3.09 3.95 3.99 0.00 -1.26 -3.12 105.19 105.10 3dll n GLY 102 Ca -0.04 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 3dll n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dll s ARG 103 N -4.18 2.45 0.27 1.61 6.06 -1.26 -4.50 118.95 119.39 3dll s ARG 103 Ca 0.00 -0.48 0.08 0.00 -2.50 0.00 0.00 55.73 52.84 3dll s ARG 103 Cb 0.00 -2.34 -0.04 0.00 0.06 0.00 0.00 34.95 32.63 3dll s ARG 103 CO 0.00 -0.92 0.09 -1.54 -2.50 0.00 0.00 175.30 170.43 3dll s SER 104 N -4.45 4.95 -0.35 -2.12 1.04 -1.26 -0.86 113.70 110.65 3dll s SER 104 Ca 0.58 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.56 3dll s SER 104 Cb -0.11 -1.06 0.58 0.00 0.10 0.00 0.00 66.02 65.54 3dll s SER 104 CO 0.42 -0.04 1.74 0.00 0.98 0.00 0.00 173.24 176.34 3dll n GLN 105 N -1.03 2.41 0.00 4.02 3.00 -0.09 -4.03 117.38 121.66 3dll n GLN 105 Ca -0.07 -2.55 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 3dll n GLN 105 Cb 0.59 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.81 3dll n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dll n GLY 106 N -0.66 0.94 0.14 1.08 0.00 -1.25 -4.47 105.19 100.97 3dll n GLY 106 Ca 0.46 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.63 3dll n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dll n GLU 107 N 0.00 1.06 -0.00 1.61 4.07 -1.25 0.31 120.64 126.44 3dll n GLU 107 Ca 0.00 -0.27 0.02 0.00 -0.06 0.00 0.00 57.16 56.85 3dll n GLU 107 Cb 0.00 -1.49 -0.03 0.00 -0.06 0.00 0.00 31.44 29.85 3dll n GLU 107 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3dll n VAL 108 N -0.73 0.00 0.07 6.31 0.31 -1.26 -4.57 118.33 118.46 3dll n VAL 108 Ca 0.20 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3dll n VAL 108 Cb 0.21 0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 33.67 3dll n VAL 108 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3dll h GLN 109 N 0.00 -0.24 0.00 5.55 4.20 -1.81 -3.46 115.11 119.34 3dll h GLN 109 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dll h GLN 109 Cb 0.17 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3dll h GLN 109 CO 0.00 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 3dll n GLY 110 N 0.60 0.00 3.99 3.46 0.00 -1.16 -5.12 105.19 106.96 3dll n GLY 110 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3dll n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dll s GLY 111 N 0.00 1.85 0.08 -0.02 0.00 0.15 -3.21 107.32 106.16 3dll s GLY 111 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.21 3dll s GLY 111 CO 0.00 -1.27 -0.16 -2.27 0.00 0.00 0.00 173.10 169.40 3dll s LEU 112 N -4.67 2.28 -0.08 0.66 2.96 0.21 -3.96 118.68 116.09 3dll s LEU 112 Ca 0.58 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3dll s LEU 112 Cb -0.09 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3dll s LEU 112 CO 0.37 -0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.58 3dll s VAL 113 N -1.22 3.33 0.25 1.68 1.01 -1.26 0.43 120.40 124.62 3dll s VAL 113 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3dll s VAL 113 Cb -0.10 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3dll s VAL 113 CO 0.03 0.58 0.06 -0.62 0.00 0.00 0.00 175.10 175.14 3dll s ASP 114 N -0.52 1.46 -0.60 3.32 -1.08 -1.25 -4.91 116.67 113.09 3dll s ASP 114 Ca 0.07 -1.32 -0.04 0.00 -0.52 0.00 0.00 52.55 50.74 3dll s ASP 114 Cb -0.12 0.10 0.15 0.00 -1.46 0.00 0.00 42.92 41.59 3dll s ASP 114 CO 0.02 -0.65 0.42 -0.63 0.52 0.00 0.00 175.17 174.85 3dll s ILE 115 N -3.62 3.83 0.65 4.11 1.01 -1.26 -3.36 121.20 122.57 3dll s ILE 115 Ca 0.34 -2.69 0.20 0.00 0.00 0.00 0.00 60.65 58.50 3dll s ILE 115 Cb 0.07 -3.51 0.22 0.00 0.01 0.00 0.00 42.46 39.26 3dll s ILE 115 CO 0.11 -0.85 1.60 0.58 0.00 0.00 0.00 174.94 176.38 3dll h VAL 116 N 5.48 0.04 -2.02 2.92 2.07 -1.76 -2.99 116.25 119.98 3dll h VAL 116 Ca -0.04 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.92 3dll h VAL 116 Cb 0.98 0.42 -0.39 0.00 -1.52 0.00 0.00 31.29 30.78 3dll h VAL 116 CO 0.73 0.00 -1.09 1.33 0.02 0.00 0.00 177.57 178.56 3dll n VAL 117 N -2.87 -0.62 0.00 2.57 0.24 -0.94 -4.91 118.33 111.81 3dll n VAL 117 Ca 0.01 -4.03 0.00 0.00 -2.04 0.00 0.00 64.34 58.28 3dll n VAL 117 Cb 0.66 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 3dll n VAL 117 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3dll n HIS 118 N 1.43 0.00 -1.95 6.34 -0.00 -1.13 -4.43 115.22 115.48 3dll n HIS 118 Ca 0.21 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.62 3dll n HIS 118 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.53 3dll n HIS 118 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3dll s ASN 119 N -1.04 5.99 -0.12 0.41 2.47 -1.26 -0.92 114.94 120.47 3dll s ASN 119 Ca 0.00 1.60 -0.04 0.00 0.42 0.00 0.00 52.86 54.84 3dll s ASN 119 Cb 0.00 -2.50 0.05 0.00 -1.45 0.00 0.00 41.25 37.35 3dll s ASN 119 CO 0.00 -1.03 0.13 -0.22 -3.72 0.00 0.00 177.10 172.26 3dll s LEU 120 N -4.86 0.07 0.28 3.21 0.20 0.14 -4.66 118.68 113.06 3dll s LEU 120 Ca 0.59 -0.07 -0.09 0.00 0.69 0.00 0.00 54.13 55.25 3dll s LEU 120 Cb -0.13 0.07 -0.07 0.00 -0.43 0.00 0.00 46.19 45.63 3dll s LEU 120 CO 0.45 -0.29 0.61 -1.58 -0.29 0.00 0.00 176.35 175.25 3dll s GLN 121 N 2.23 3.79 -0.10 1.98 0.74 -1.26 0.40 119.66 127.44 3dll s GLN 121 Ca 0.04 0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 3dll s GLN 121 Cb -0.14 -2.57 0.03 0.00 1.10 0.00 0.00 33.01 31.43 3dll s GLN 121 CO -0.07 0.21 -0.00 0.96 -0.55 0.00 0.00 175.29 175.84 3dll s ILE 122 N -1.99 0.49 0.08 -2.34 -4.36 0.60 -4.31 121.20 109.38 3dll s ILE 122 Ca 0.48 -0.05 -0.31 0.00 -0.26 0.00 0.00 60.65 60.52 3dll s ILE 122 Cb -0.11 -0.69 -0.08 0.00 1.25 0.00 0.00 42.46 42.83 3dll s ILE 122 CO 0.24 0.20 1.64 -0.69 0.24 0.00 0.00 174.94 176.57 3dll s VAL 123 N 1.92 3.01 -0.17 8.37 1.01 -1.26 -1.52 120.40 131.76 3dll s VAL 123 Ca 0.04 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3dll s VAL 123 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.93 3dll s VAL 123 CO -0.06 0.00 0.22 0.00 0.00 0.00 0.00 175.10 175.26 3dll n ALA 124 N 5.42 -2.87 -1.00 5.51 0.00 -1.23 -4.24 120.51 122.10 3dll n ALA 124 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3dll n ALA 124 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3dll n ALA 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dll n PRO 125 N -0.53 0.00 0.00 0.00 -0.04 -1.20 -3.73 135.00 129.50 3dll n PRO 125 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3dll n PRO 125 Cb 0.20 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 3dll n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dll n GLY 126 N 0.00 -1.78 0.43 0.55 0.00 -1.26 -3.52 105.19 99.60 3dll n GLY 126 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 46.02 46.76 3dll n GLY 126 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dll n PRO 127 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -0.20 135.00 135.13 3dll n PRO 127 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3dll n PRO 127 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.30 3dll n PRO 127 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dll n ARG 128 N 0.25 0.00 -0.12 -0.52 1.85 -1.26 -4.02 116.66 112.84 3dll n ARG 128 Ca 0.03 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.99 3dll n ARG 128 Cb 0.01 -1.36 0.31 0.00 -1.05 0.00 0.00 32.46 30.36 3dll n ARG 128 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3dll n ARG 129 N 0.00 2.01 -0.55 2.89 1.74 -1.14 -4.96 116.66 116.65 3dll n ARG 129 Ca 0.00 -1.52 -0.07 0.00 -0.77 0.00 0.00 57.85 55.49 3dll n ARG 129 Cb 0.00 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3dll n ARG 129 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3dll n ILE 130 N 0.75 0.00 -1.26 0.55 2.08 0.72 -4.77 119.36 117.43 3dll n ILE 130 Ca 0.17 -0.20 -0.44 0.00 0.56 0.00 0.00 62.75 62.85 3dll n ILE 130 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.29 3dll n ILE 130 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3dll n PRO 131 N 2.09 0.00 -0.12 0.38 -0.02 -1.26 -4.88 135.00 131.19 3dll n PRO 131 Ca 0.22 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.75 3dll n PRO 131 Cb 0.08 -0.92 0.12 0.00 -0.02 0.00 0.00 33.50 32.75 3dll n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dll n GLN 132 N 0.92 2.43 -2.23 -0.52 10.64 -1.26 -4.89 117.38 122.47 3dll n GLN 132 Ca 0.16 -1.81 -0.00 0.00 -1.83 0.00 0.00 57.00 53.52 3dll n GLN 132 Cb 0.22 -1.22 0.01 0.00 -0.86 0.00 0.00 30.24 28.38 3dll n GLN 132 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 3dll n GLU 133 N 0.40 0.13 -3.18 2.61 -0.00 -1.26 -4.85 120.64 114.50 3dll n GLU 133 Ca 0.09 -0.34 0.05 0.00 -0.00 0.00 0.00 57.16 56.95 3dll n GLU 133 Cb 0.37 0.49 -0.03 0.00 -0.00 0.00 0.00 31.44 32.27 3dll n GLU 133 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3dll s LEU 134 N 0.00 -0.14 -0.10 -1.84 2.96 -1.26 -4.97 118.68 113.33 3dll s LEU 134 Ca 0.07 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.97 3dll s LEU 134 Cb -0.01 1.14 -0.05 0.00 0.50 0.00 0.00 46.19 47.77 3dll s LEU 134 CO 0.01 -0.03 0.38 -0.69 -1.32 0.00 0.00 176.35 174.70 3dll s VAL 135 N 2.51 5.20 0.33 1.68 1.01 -1.26 -0.98 120.40 128.88 3dll s VAL 135 Ca -0.04 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.77 3dll s VAL 135 Cb -0.05 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3dll s VAL 135 CO -0.12 0.44 0.10 -0.69 0.00 0.00 0.00 175.10 174.83 3dll s VAL 136 N -0.03 3.07 0.79 2.92 1.01 0.71 -4.90 120.40 123.98 3dll s VAL 136 Ca 0.21 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 3dll s VAL 136 Cb -0.15 -2.94 0.12 0.00 0.00 0.00 0.00 36.38 33.41 3dll s VAL 136 CO 0.09 -0.22 1.12 -0.62 0.00 0.00 0.00 175.10 175.46 3dll s ASP 137 N -3.80 4.18 0.00 3.32 2.15 -1.26 -2.36 116.67 118.90 3dll s ASP 137 Ca 0.36 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.59 3dll s ASP 137 Cb -0.03 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 3dll s ASP 137 CO 0.22 -2.02 0.00 1.33 -0.17 0.00 0.00 175.17 174.53 3dll n VAL 138 N -3.19 0.00 -0.03 1.11 0.24 -1.18 -4.68 118.33 110.60 3dll n VAL 138 Ca 0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.41 3dll n VAL 138 Cb 0.60 -0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.82 3dll n VAL 138 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3dll n THR 139 N -1.95 -0.05 -0.22 3.34 -1.04 -0.04 -0.71 114.28 113.62 3dll n THR 139 Ca 0.00 0.92 -0.03 0.00 -2.04 0.00 0.00 64.05 62.90 3dll n THR 139 Cb 0.00 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 3dll n THR 139 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3dll n LYS 140 N -2.82 -0.18 -1.06 -2.82 2.85 -1.26 -2.77 118.16 110.09 3dll n LYS 140 Ca 0.00 0.82 -0.36 0.00 -1.05 0.00 0.00 58.31 57.72 3dll n LYS 140 Cb 0.02 -1.21 0.06 0.00 -0.65 0.00 0.00 35.03 33.25 3dll n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3dll n MET 141 N -4.73 0.02 0.00 -1.58 2.81 0.12 -4.63 117.12 109.13 3dll n MET 141 Ca 0.03 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3dll n MET 141 Cb 0.18 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3dll n MET 141 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dll n ASN 142 N 1.07 0.00 -4.84 7.83 3.02 -1.26 -0.92 115.26 120.16 3dll n ASN 142 Ca 0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 3dll n ASN 142 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 3dll n ASN 142 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3dll s ILE 143 N 3.16 5.13 -1.36 2.41 -5.25 -1.26 -4.18 121.20 119.84 3dll s ILE 143 Ca 0.00 0.71 -0.08 0.00 -0.99 0.00 0.00 60.65 60.29 3dll s ILE 143 Cb 0.00 -3.65 0.02 0.00 2.95 0.00 0.00 42.46 41.77 3dll s ILE 143 CO 0.00 0.58 1.15 0.61 -1.79 0.00 0.00 174.94 175.49 3dll n GLY 144 N 1.89 -0.53 3.17 6.27 0.00 -0.68 -4.96 105.19 110.35 3dll n GLY 144 Ca -0.15 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3dll n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 145 N -3.43 5.18 1.05 1.61 -0.00 -1.25 -5.03 116.67 114.81 3dll s ASP 145 Ca 0.54 -1.60 -0.16 0.00 -0.00 0.00 0.00 52.55 51.32 3dll s ASP 145 Cb -0.24 -1.81 0.22 0.00 -0.00 0.00 0.00 42.92 41.09 3dll s ASP 145 CO 0.74 -0.42 1.19 1.41 -0.00 0.00 0.00 175.17 178.09 3dll n HIS 146 N 4.66 -3.96 -3.65 4.23 8.25 -1.26 -3.38 115.22 120.10 3dll n HIS 146 Ca -0.08 -1.05 -0.08 0.00 -0.26 0.00 0.00 57.72 56.25 3dll n HIS 146 Cb 0.43 -0.97 -0.08 0.00 1.12 0.00 0.00 29.99 30.48 3dll n HIS 146 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dll s ILE 147 N -3.51 -0.05 -0.04 1.59 -1.09 -0.20 -4.84 121.20 113.06 3dll s ILE 147 Ca 0.69 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 59.17 3dll s ILE 147 Cb -0.03 -0.90 -0.00 0.00 -1.58 0.00 0.00 42.46 39.95 3dll s ILE 147 CO 0.49 0.01 -0.16 0.42 -1.23 0.00 0.00 174.94 174.48 3dll s THR 148 N 1.64 1.31 0.00 2.92 -4.23 -1.23 0.14 115.64 116.19 3dll s THR 148 Ca -0.10 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 3dll s THR 148 Cb -0.06 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.65 3dll s THR 148 CO -0.18 0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.28 3dll n ALA 149 N 3.19 0.00 -0.27 3.99 0.00 -0.48 0.12 120.51 127.07 3dll n ALA 149 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3dll n ALA 149 Cb 0.53 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.19 3dll n ALA 149 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dll h GLY 150 N 0.00 1.22 1.10 0.00 0.00 -1.46 -1.90 103.07 102.03 3dll h GLY 150 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 3dll h GLY 150 CO 0.00 -0.11 -0.89 -0.55 0.00 0.00 0.00 176.54 174.99 3dll h ASP 151 N 0.46 0.83 -1.23 0.19 5.19 0.67 -3.45 116.42 119.08 3dll h ASP 151 Ca 0.44 -0.72 -0.79 0.00 -0.62 0.00 0.00 57.03 55.33 3dll h ASP 151 Cb 0.68 -0.25 0.03 0.00 0.18 0.00 0.00 39.33 39.97 3dll h ASP 151 CO -0.42 1.44 0.52 -0.38 -3.12 0.00 0.00 179.24 177.28 3dll n ILE 152 N -3.96 0.07 -1.58 0.35 -0.00 -0.72 -4.92 119.36 108.59 3dll n ILE 152 Ca -0.10 -0.01 -0.30 0.00 -0.00 0.00 0.00 62.75 62.33 3dll n ILE 152 Cb 0.81 -0.57 0.23 0.00 -0.00 0.00 0.00 39.64 40.11 3dll n ILE 152 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3dll s LYS 153 N 1.85 -0.47 -0.29 0.38 -0.14 -1.26 -4.96 119.74 114.85 3dll s LYS 153 Ca 0.96 -0.40 -0.00 0.00 -1.36 0.00 0.00 55.97 55.16 3dll s LYS 153 Cb -1.25 -1.72 0.19 0.00 -1.68 0.00 0.00 37.83 33.38 3dll s LYS 153 CO 0.66 -3.16 0.74 -0.51 -0.76 0.00 0.00 175.35 172.32 3dll s LEU 154 N -6.41 -1.22 -0.77 3.17 1.43 -1.26 -5.00 118.68 108.62 3dll s LEU 154 Ca 0.75 0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.82 3dll s LEU 154 Cb -0.04 1.81 -0.04 0.00 0.03 0.00 0.00 46.19 47.94 3dll s LEU 154 CO 0.55 -0.22 1.95 -2.16 0.23 0.00 0.00 176.35 176.70 3dll s PRO 155 N 2.87 2.52 -0.05 1.29 0.04 -1.26 -4.58 135.00 135.84 3dll s PRO 155 Ca 0.15 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 3dll s PRO 155 Cb -0.08 -4.77 0.02 0.00 0.04 0.00 0.00 34.50 29.70 3dll s PRO 155 CO -0.24 -3.18 0.08 0.39 0.04 0.00 0.00 177.00 174.10 3dll n GLU 156 N 8.99 -5.09 0.00 4.56 1.02 -1.26 -4.74 120.64 124.12 3dll n GLU 156 Ca 0.33 3.72 0.00 0.00 -0.02 0.00 0.00 57.16 61.19 3dll n GLU 156 Cb 0.49 -4.89 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 3dll n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dll n GLY 157 N 1.81 1.19 0.00 0.62 0.00 -1.26 -4.94 105.19 102.61 3dll n GLY 157 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3dll n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll s THR 159 N 0.00 5.31 -0.43 0.00 -4.23 -1.24 -4.90 115.64 110.15 3dll s THR 159 Ca 0.00 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.23 3dll s THR 159 Cb 0.00 -4.35 -0.14 0.00 1.34 0.00 0.00 72.50 69.35 3dll s THR 159 CO 0.00 -0.94 1.59 0.18 -0.54 0.00 0.00 174.62 174.91 3dll n LEU 160 N 4.61 0.45 0.00 4.79 4.77 -1.26 -4.19 117.00 126.17 3dll n LEU 160 Ca -0.01 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.41 3dll n LEU 160 Cb 0.43 -0.63 0.19 0.00 -2.33 0.00 0.00 43.42 41.08 3dll n LEU 160 CO 0.43 -0.53 0.62 0.00 -1.33 0.00 0.00 177.39 176.58 3dll n ALA 161 N 5.74 1.45 -2.15 -1.18 0.00 -1.26 -4.73 120.51 118.39 3dll n ALA 161 Ca 0.40 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 3dll n ALA 161 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 3dll n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll s ALA 162 N -2.86 3.32 -0.05 0.00 0.00 -1.26 -4.81 121.76 116.10 3dll s ALA 162 Ca 0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 3dll s ALA 162 Cb 0.06 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3dll s ALA 162 CO 0.15 0.05 1.19 0.34 0.00 0.00 0.00 175.76 177.49 3dll s ASP 163 N -2.94 7.07 0.19 0.00 -1.08 -1.26 -4.91 116.67 113.73 3dll s ASP 163 Ca 0.53 1.82 0.06 0.00 -0.52 0.00 0.00 52.55 54.44 3dll s ASP 163 Cb -0.10 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.15 3dll s ASP 163 CO 0.28 -0.56 1.02 -2.65 0.52 0.00 0.00 175.17 173.78 3dll n PRO 164 N 5.07 0.05 -0.26 4.34 -0.02 -1.26 -1.42 135.00 141.49 3dll n PRO 164 Ca 0.11 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3dll n PRO 164 Cb 0.46 -1.98 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 3dll n PRO 164 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dll n GLU 165 N -1.70 2.59 -2.37 -0.52 1.02 -1.26 -1.32 120.64 117.08 3dll n GLU 165 Ca -0.00 -2.34 -0.42 0.00 -0.02 0.00 0.00 57.16 54.38 3dll n GLU 165 Cb 0.34 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3dll n GLU 165 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dll s LEU 166 N -1.12 4.31 -0.07 -4.62 2.96 -0.51 -4.81 118.68 114.83 3dll s LEU 166 Ca 0.38 1.95 -0.30 0.00 -0.22 0.00 0.00 54.13 55.95 3dll s LEU 166 Cb 0.21 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 3dll s LEU 166 CO 0.27 -0.60 1.58 -0.89 -1.32 0.00 0.00 176.35 175.39 3dll s THR 167 N 2.02 3.69 -0.02 3.68 2.01 -1.25 -1.38 115.64 124.39 3dll s THR 167 Ca 0.59 0.85 0.10 0.00 0.31 0.00 0.00 61.69 63.54 3dll s THR 167 Cb -0.28 -3.55 -0.15 0.00 0.01 0.00 0.00 72.50 68.53 3dll s THR 167 CO 0.25 -0.07 0.20 0.52 -0.69 0.00 0.00 174.62 174.82 3dll n VAL 168 N 5.42 0.07 -3.60 3.82 0.31 0.37 -4.58 118.33 120.15 3dll n VAL 168 Ca 0.17 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3dll n VAL 168 Cb 0.43 0.15 -0.06 0.00 -0.91 0.00 0.00 33.84 33.45 3dll n VAL 168 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3dll s VAL 169 N -2.64 0.00 -0.30 2.52 -7.23 -1.23 -2.18 120.40 109.34 3dll s VAL 169 Ca -0.04 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 3dll s VAL 169 Cb 0.06 -1.00 0.17 0.00 0.56 0.00 0.00 36.38 36.17 3dll s VAL 169 CO 0.41 0.00 0.94 -0.55 -0.31 0.00 0.00 175.10 175.59 3dll s SER 170 N -0.48 -0.68 0.06 4.85 0.15 -1.21 -1.04 113.70 115.35 3dll s SER 170 Ca -0.00 0.72 -0.33 0.00 0.70 0.00 0.00 55.95 57.04 3dll s SER 170 Cb -0.03 1.69 -0.12 0.00 -1.71 0.00 0.00 66.02 65.85 3dll s SER 170 CO -0.01 -0.13 1.75 0.52 1.20 0.00 0.00 173.24 176.57 3dll n VAL 171 N 5.18 0.30 -3.09 4.45 0.31 -1.22 -3.89 118.33 120.37 3dll n VAL 171 Ca -0.08 -0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 3dll n VAL 171 Cb 0.52 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 3dll n VAL 171 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3dll s LEU 172 N 2.51 3.96 0.16 7.52 0.20 1.47 -1.69 118.68 132.82 3dll s LEU 172 Ca 0.85 0.98 -0.13 0.00 0.69 0.00 0.00 54.13 56.52 3dll s LEU 172 Cb -0.64 -3.83 -0.07 0.00 -0.43 0.00 0.00 46.19 41.22 3dll s LEU 172 CO 0.43 -0.28 0.54 -2.16 -0.29 0.00 0.00 176.35 174.58 3dll s PRO 173 N -3.58 3.92 0.95 0.98 0.04 -1.26 0.66 135.00 136.70 3dll s PRO 173 Ca 0.49 0.41 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 3dll s PRO 173 Cb -0.10 -2.86 -0.16 0.00 0.04 0.00 0.00 34.50 31.42 3dll s PRO 173 CO 0.29 0.44 -1.06 -0.35 0.04 0.00 0.00 177.00 176.35 3dll n PRO 174 N 0.55 0.00 -0.56 0.56 -0.04 -1.20 -4.81 135.00 129.51 3dll n PRO 174 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3dll n PRO 174 Cb 0.52 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 3dll n PRO 174 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00