#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrs n ALA 10 N 0.00 0.00 -0.21 3.55 0.00 -1.26 -0.83 120.51 121.76 1rrs n ALA 10 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1rrs n ALA 10 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1rrs n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rrs n ARG 11 N 0.00 -0.05 -0.04 0.00 5.12 -1.26 0.19 116.66 120.63 1rrs n ARG 11 Ca 0.00 0.90 -0.11 0.00 -1.93 0.00 0.00 57.85 56.71 1rrs n ARG 11 Cb 0.00 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 29.81 1rrs n ARG 11 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1rrs h GLU 12 N 0.00 0.23 0.51 5.56 4.39 -1.92 -3.15 114.58 120.19 1rrs h GLU 12 Ca 0.38 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1rrs h GLU 12 Cb 0.81 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1rrs h GLU 12 CO -0.56 0.23 -0.24 0.35 -1.16 0.00 0.00 179.01 177.63 1rrs h PHE 13 N 0.17 -0.63 0.00 4.33 3.04 0.42 -3.18 116.94 121.09 1rrs h PHE 13 Ca 0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1rrs h PHE 13 Cb 0.07 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1rrs h PHE 13 CO -0.04 -0.32 0.00 0.00 -2.02 0.00 0.00 178.31 175.93 1rrs n GLN 14 N -5.25 0.34 0.00 1.11 10.64 0.85 -1.89 117.38 123.18 1rrs n GLN 14 Ca -0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1rrs n GLN 14 Cb 0.31 -1.33 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1rrs n GLN 14 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1rrs n ARG 15 N 1.20 0.00 0.24 2.61 5.12 -1.19 -4.51 116.66 120.13 1rrs n ARG 15 Ca 0.00 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1rrs n ARG 15 Cb 0.17 -0.56 0.34 0.00 -1.16 0.00 0.00 32.46 31.25 1rrs n ARG 15 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1rrs h ASP 16 N 0.00 0.00 0.02 0.55 3.32 -1.38 -1.86 116.42 117.06 1rrs h ASP 16 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rrs h ASP 16 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1rrs h ASP 16 CO 0.00 0.02 -0.01 0.25 -1.72 0.00 0.00 179.24 177.78 1rrs h LEU 17 N 0.00 -0.02 -2.22 1.55 6.46 -1.76 -2.63 115.31 116.69 1rrs h LEU 17 Ca -0.00 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1rrs h LEU 17 Cb 0.84 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1rrs h LEU 17 CO 0.00 0.61 0.09 -0.07 -0.62 0.00 0.00 178.44 178.45 1rrs h LEU 18 N -1.00 0.00 0.25 2.25 3.38 -1.79 -0.40 115.31 118.01 1rrs h LEU 18 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rrs h LEU 18 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rrs h LEU 18 CO 0.00 0.00 -0.12 -0.78 0.09 0.00 0.00 178.44 177.63 1rrs h ASP 19 N 0.00 -0.28 -0.84 -0.43 3.58 -1.43 -2.22 116.42 114.80 1rrs h ASP 19 Ca 0.05 -0.14 0.20 0.00 0.42 0.00 0.00 57.03 57.55 1rrs h ASP 19 Cb 0.22 0.07 -0.12 0.00 1.72 0.00 0.00 39.33 41.22 1rrs h ASP 19 CO -0.00 0.21 0.30 -0.25 -2.88 0.00 0.00 179.24 176.62 1rrs h TRP 20 N -1.02 0.48 -0.26 0.28 7.01 -1.07 -0.30 115.95 121.07 1rrs h TRP 20 Ca -0.03 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1rrs h TRP 20 Cb 0.41 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1rrs h TRP 20 CO 0.04 -0.07 0.16 0.35 -2.79 0.00 0.00 178.44 176.13 1rrs h PHE 21 N 0.34 0.31 -0.89 2.65 3.57 -1.11 0.23 116.94 122.03 1rrs h PHE 21 Ca 0.50 0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.17 1rrs h PHE 21 Cb 0.92 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 1rrs h PHE 21 CO -0.20 0.19 0.48 0.00 -2.23 0.00 0.00 178.31 176.56 1rrs h ALA 22 N 1.10 1.38 0.00 2.41 0.00 -0.40 0.28 119.26 124.03 1rrs h ALA 22 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rrs h ALA 22 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rrs h ALA 22 CO -0.03 -0.07 -0.90 2.89 0.00 0.00 0.00 179.25 181.14 1rrs n ARG 23 N -4.84 0.05 0.00 0.00 1.85 -1.03 -4.48 116.66 108.21 1rrs n ARG 23 Ca 0.19 -0.01 0.03 0.00 -1.00 0.00 0.00 57.85 57.06 1rrs n ARG 23 Cb 0.46 -1.51 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 1rrs n ARG 23 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1rrs n GLU 24 N -1.58 5.00 -1.77 2.89 4.07 0.77 -5.03 120.64 124.99 1rrs n GLU 24 Ca 0.04 -0.02 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 1rrs n GLU 24 Cb 0.35 -0.78 -0.02 0.00 -0.06 0.00 0.00 31.44 30.93 1rrs n GLU 24 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1rrs s ARG 25 N -1.52 4.13 0.34 5.31 1.70 0.91 -4.96 118.95 124.86 1rrs s ARG 25 Ca 0.02 2.57 -0.27 0.00 -0.47 0.00 0.00 55.73 57.59 1rrs s ARG 25 Cb 0.04 -3.06 -0.09 0.00 -0.57 0.00 0.00 34.95 31.27 1rrs s ARG 25 CO 0.23 -0.69 1.08 1.03 -1.08 0.00 0.00 175.30 175.87 1rrs s ARG 26 N 0.56 4.38 -1.24 3.89 0.52 -1.26 -4.95 118.95 120.85 1rrs s ARG 26 Ca 0.70 1.68 -0.17 0.00 -0.52 0.00 0.00 55.73 57.42 1rrs s ARG 26 Cb -0.48 -2.87 0.10 0.00 0.52 0.00 0.00 34.95 32.22 1rrs s ARG 26 CO 0.38 0.02 1.61 -0.51 0.02 0.00 0.00 175.30 176.82 1rrs s ASP 27 N -1.20 6.88 0.38 0.23 1.01 -1.26 -4.96 116.67 117.75 1rrs s ASP 27 Ca 0.51 -2.53 -0.10 0.00 0.71 0.00 0.00 52.55 51.14 1rrs s ASP 27 Cb -0.27 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.07 1rrs s ASP 27 CO 0.35 -1.07 0.74 -0.76 0.21 0.00 0.00 175.17 174.64 1rrs s LEU 28 N 3.46 3.88 0.24 1.23 1.43 -1.26 -4.98 118.68 122.68 1rrs s LEU 28 Ca 0.50 1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 1rrs s LEU 28 Cb 0.01 -3.96 0.45 0.00 0.03 0.00 0.00 46.19 42.72 1rrs s LEU 28 CO 0.04 -0.35 1.69 -0.65 0.23 0.00 0.00 176.35 177.30 1rrs h PRO 29 N 1.42 0.26 0.00 1.29 0.11 -1.96 0.24 132.00 133.37 1rrs h PRO 29 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rrs h PRO 29 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1rrs h PRO 29 CO 0.64 0.17 0.00 -2.67 -0.21 0.00 0.00 178.00 175.94 1rrs n TRP 30 N -5.15 0.00 0.13 0.65 2.14 -1.26 -2.67 117.44 111.27 1rrs n TRP 30 Ca 0.14 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.82 1rrs n TRP 30 Cb 0.45 -0.14 0.27 0.00 -0.81 0.00 0.00 31.31 31.09 1rrs n TRP 30 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1rrs n ARG 31 N -1.14 2.49 0.23 -2.67 1.74 0.07 -4.22 116.66 113.16 1rrs n ARG 31 Ca 0.14 -2.28 0.08 0.00 -0.77 0.00 0.00 57.85 55.02 1rrs n ARG 31 Cb 0.13 -1.51 0.54 0.00 -1.02 0.00 0.00 32.46 30.60 1rrs n ARG 31 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1rrs h LYS 32 N 4.04 0.00 0.00 5.56 1.57 -1.58 -3.46 116.57 122.69 1rrs h LYS 32 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1rrs h LYS 32 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1rrs h LYS 32 CO 0.00 0.23 0.14 -0.40 -0.57 0.00 0.00 179.45 178.85 1rrs n ASP 33 N -3.85 -1.69 -1.39 0.86 5.68 -1.26 -5.06 116.55 109.84 1rrs n ASP 33 Ca -0.02 -2.36 -0.10 0.00 -0.50 0.00 0.00 54.79 51.81 1rrs n ASP 33 Cb 0.32 2.87 0.16 0.00 -1.14 0.00 0.00 41.12 43.32 1rrs n ASP 33 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rrs n ARG 34 N -0.44 2.20 -2.11 0.11 5.12 -1.26 -4.92 116.66 115.36 1rrs n ARG 34 Ca -0.05 -3.39 -0.43 0.00 -1.93 0.00 0.00 57.85 52.05 1rrs n ARG 34 Cb 0.48 -1.93 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 1rrs n ARG 34 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1rrs s ASP 35 N -2.72 6.61 0.33 0.55 2.15 -1.26 -4.54 116.67 117.79 1rrs s ASP 35 Ca 0.47 1.93 0.13 0.00 0.43 0.00 0.00 52.55 55.51 1rrs s ASP 35 Cb 0.42 -2.53 1.02 0.00 -0.30 0.00 0.00 42.92 41.52 1rrs s ASP 35 CO -0.00 -1.01 1.67 -0.65 -0.17 0.00 0.00 175.17 175.01 1rrs h PRO 36 N 9.74 0.35 0.39 4.34 0.11 -1.93 0.11 132.00 145.10 1rrs h PRO 36 Ca -0.35 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 1rrs h PRO 36 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rrs h PRO 36 CO 0.97 0.23 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.89 1rrs h TYR 37 N 0.36 -0.49 -0.66 0.65 3.20 -1.99 0.15 116.97 118.19 1rrs h TYR 37 Ca 0.70 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.60 1rrs h TYR 37 Cb 1.54 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.93 1rrs h TYR 37 CO -0.03 -0.23 0.40 0.87 -1.64 0.00 0.00 178.16 177.53 1rrs h LYS 38 N -0.65 0.75 0.28 1.82 1.79 -1.58 -1.33 116.57 117.65 1rrs h LYS 38 Ca -0.05 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1rrs h LYS 38 Cb 0.47 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1rrs h LYS 38 CO 0.09 0.50 -0.14 0.28 -1.08 0.00 0.00 179.45 179.10 1rrs h VAL 39 N 0.77 0.75 -0.27 0.50 2.07 -0.91 -2.16 116.25 117.01 1rrs h VAL 39 Ca 0.28 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1rrs h VAL 39 Cb 0.07 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1rrs h VAL 39 CO -0.13 0.05 -0.32 -0.25 0.02 0.00 0.00 177.57 176.94 1rrs h TRP 40 N -0.48 -0.88 -0.59 1.57 2.91 -0.48 0.17 115.95 118.16 1rrs h TRP 40 Ca -0.04 0.05 0.10 0.00 1.13 0.00 0.00 58.89 60.13 1rrs h TRP 40 Cb 0.36 0.43 -0.07 0.00 -0.51 0.00 0.00 29.16 29.37 1rrs h TRP 40 CO -0.03 -0.39 0.18 0.28 -1.03 0.00 0.00 178.44 177.46 1rrs h VAL 41 N -0.32 0.73 -0.42 2.65 2.07 -1.18 -1.39 116.25 118.39 1rrs h VAL 41 Ca 0.14 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 1rrs h VAL 41 Cb 0.54 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1rrs h VAL 41 CO -0.45 0.06 -0.29 0.77 0.02 0.00 0.00 177.57 177.68 1rrs h SER 42 N 0.34 0.97 -0.12 0.57 4.64 -0.64 -1.52 113.55 117.79 1rrs h SER 42 Ca 0.30 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1rrs h SER 42 Cb 0.39 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1rrs h SER 42 CO -0.33 1.19 0.03 -0.33 -0.87 0.00 0.00 176.83 176.52 1rrs h GLU 43 N 0.78 0.26 0.11 4.77 4.39 -0.12 -0.75 114.58 124.03 1rrs h GLU 43 Ca 0.09 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.46 1rrs h GLU 43 Cb 0.87 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1rrs h GLU 43 CO 0.08 0.26 -1.23 0.28 -1.16 0.00 0.00 179.01 177.24 1rrs h VAL 44 N 0.26 1.30 -0.23 3.13 2.07 -0.99 -3.27 116.25 118.52 1rrs h VAL 44 Ca 0.06 -2.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.01 1rrs h VAL 44 Cb 0.12 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1rrs h VAL 44 CO -0.00 0.76 -0.23 0.24 0.02 0.00 0.00 177.57 178.36 1rrs h MET 45 N 0.27 0.42 0.00 1.57 2.86 -0.84 -2.93 114.93 116.28 1rrs h MET 45 Ca -0.18 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1rrs h MET 45 Cb 1.90 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.53 1rrs h MET 45 CO 0.23 0.62 0.00 1.28 1.06 0.00 0.00 176.91 180.11 1rrs n LEU 46 N -4.15 0.29 -4.65 1.22 4.77 -0.33 -4.51 117.00 109.65 1rrs n LEU 46 Ca -0.00 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 1rrs n LEU 46 Cb 0.38 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1rrs n LEU 46 CO 0.41 -0.21 1.55 -1.10 -1.33 0.00 0.00 177.39 176.71 1rrs s GLN 47 N -3.08 3.98 -1.37 3.23 -0.21 -1.11 -2.24 119.66 118.86 1rrs s GLN 47 Ca 0.10 2.32 -0.06 0.00 0.02 0.00 0.00 55.36 57.73 1rrs s GLN 47 Cb 0.13 -4.13 0.04 0.00 1.00 0.00 0.00 33.01 30.05 1rrs s GLN 47 CO 0.45 -1.12 0.46 1.04 -2.12 0.00 0.00 175.29 173.99 1rrs n GLN 48 N 7.61 -3.74 -3.75 2.91 3.00 -1.26 -4.96 117.38 117.19 1rrs n GLN 48 Ca 0.20 0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 57.73 1rrs n GLN 48 Cb 0.42 -5.41 -0.12 0.00 0.00 0.00 0.00 30.24 25.14 1rrs n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1rrs s THR 49 N -2.98 -0.01 0.51 5.09 2.01 -0.95 -5.09 115.64 114.21 1rrs s THR 49 Ca 0.30 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1rrs s THR 49 Cb -0.15 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1rrs s THR 49 CO 0.37 0.02 1.04 -0.13 -0.69 0.00 0.00 174.62 175.23 1rrs s ARG 50 N 0.59 3.71 0.18 4.92 3.00 -1.26 -4.65 118.95 125.44 1rrs s ARG 50 Ca -0.04 1.32 -0.14 0.00 0.00 0.00 0.00 55.73 56.87 1rrs s ARG 50 Cb -0.05 -2.08 0.17 0.00 0.00 0.00 0.00 34.95 32.98 1rrs s ARG 50 CO -0.04 -0.50 1.71 0.28 0.00 0.00 0.00 175.30 176.75 1rrs h VAL 51 N 1.31 0.72 -0.95 3.52 2.07 -1.97 -1.84 116.25 119.11 1rrs h VAL 51 Ca -0.49 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.08 1rrs h VAL 51 Cb 1.22 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1rrs h VAL 51 CO 0.59 0.04 0.58 -0.33 0.02 0.00 0.00 177.57 178.46 1rrs h GLU 52 N 0.21 0.87 -0.31 1.57 3.07 -2.01 0.38 114.58 118.36 1rrs h GLU 52 Ca 0.23 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1rrs h GLU 52 Cb 0.31 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1rrs h GLU 52 CO -0.32 0.58 -0.14 1.15 -1.40 0.00 0.00 179.01 178.87 1rrs h THR 53 N 0.90 1.29 -0.44 1.13 2.02 -1.80 -3.31 112.91 112.70 1rrs h THR 53 Ca 0.48 -1.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 1rrs h THR 53 Cb 0.50 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1rrs h THR 53 CO -0.28 0.40 -0.18 0.58 0.37 0.00 0.00 175.52 176.41 1rrs h VAL 54 N 0.40 1.27 -0.88 3.16 2.07 -0.50 -3.36 116.25 118.41 1rrs h VAL 54 Ca 0.07 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.36 1rrs h VAL 54 Cb 0.67 1.20 -0.12 0.00 -1.52 0.00 0.00 31.29 31.51 1rrs h VAL 54 CO 0.04 0.45 -0.45 -0.38 0.02 0.00 0.00 177.57 177.25 1rrs n ILE 55 N -4.20 -0.55 -0.17 4.57 5.41 0.03 -0.62 119.36 123.83 1rrs n ILE 55 Ca -0.01 2.11 -0.07 0.00 1.00 0.00 0.00 62.75 65.78 1rrs n ILE 55 Cb 0.43 -2.67 0.02 0.00 -0.71 0.00 0.00 39.64 36.71 1rrs n ILE 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1rrs h PRO 56 N 0.00 0.66 -0.63 0.38 0.11 -1.78 -1.92 132.00 128.82 1rrs h PRO 56 Ca 0.20 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1rrs h PRO 56 Cb 0.42 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1rrs h PRO 56 CO -0.85 0.44 0.42 1.88 -0.21 0.00 0.00 178.00 179.67 1rrs h TYR 57 N 0.68 0.77 -0.12 0.65 0.05 -1.21 -1.86 116.97 115.92 1rrs h TYR 57 Ca 0.19 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 1rrs h TYR 57 Cb -0.06 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.41 1rrs h TYR 57 CO -0.04 0.47 -0.04 0.35 -1.05 0.00 0.00 178.16 177.85 1rrs h PHE 58 N 0.82 0.28 -0.18 4.88 3.57 -0.20 0.11 116.94 126.22 1rrs h PHE 58 Ca 0.24 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1rrs h PHE 58 Cb -0.04 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1rrs h PHE 58 CO -0.00 0.55 -0.00 0.93 -2.23 0.00 0.00 178.31 177.56 1rrs h GLU 59 N -0.08 0.05 -0.22 1.11 5.08 -1.12 -0.86 114.58 118.55 1rrs h GLU 59 Ca 0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1rrs h GLU 59 Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1rrs h GLU 59 CO 0.01 0.03 0.11 0.37 -1.00 0.00 0.00 179.01 178.54 1rrs h GLN 60 N 0.05 0.32 -0.87 2.33 4.15 -1.32 -0.74 115.11 119.03 1rrs h GLN 60 Ca 0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1rrs h GLN 60 Cb 0.11 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1rrs h GLN 60 CO -0.15 0.32 0.52 0.35 -1.93 0.00 0.00 178.83 177.93 1rrs h PHE 61 N 0.24 1.16 -0.05 3.99 3.57 -0.50 -1.19 116.94 124.15 1rrs h PHE 61 Ca 0.08 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.34 1rrs h PHE 61 Cb 0.10 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.47 1rrs h PHE 61 CO -0.03 0.78 -0.90 0.82 -2.23 0.00 0.00 178.31 176.75 1rrs h ILE 62 N 1.20 1.34 -0.68 1.41 1.08 -1.07 0.22 117.51 121.01 1rrs h ILE 62 Ca 0.31 -2.24 0.01 0.00 -0.39 0.00 0.00 64.86 62.55 1rrs h ILE 62 Cb -0.03 2.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1rrs h ILE 62 CO -0.06 0.68 0.44 0.44 -0.69 0.00 0.00 178.15 178.97 1rrs h ASP 63 N 0.35 0.75 0.48 1.72 3.32 -0.85 -0.30 116.42 121.89 1rrs h ASP 63 Ca -0.08 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.77 1rrs h ASP 63 Cb 1.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1rrs h ASP 63 CO 0.17 0.54 -0.82 -0.09 -1.72 0.00 0.00 179.24 177.31 1rrs h ARG 64 N 0.89 0.25 -2.46 3.56 9.65 -1.17 -3.37 114.38 121.72 1rrs h ARG 64 Ca 0.25 -0.25 -0.59 0.00 -1.10 0.00 0.00 59.98 58.29 1rrs h ARG 64 Cb -0.07 0.06 -0.40 0.00 -1.39 0.00 0.00 29.97 28.18 1rrs h ARG 64 CO -0.07 0.94 -0.85 1.19 2.80 0.00 0.00 179.97 183.99 1rrs n PHE 65 N -3.72 0.87 -0.10 2.20 3.72 0.78 -4.95 117.46 116.25 1rrs n PHE 65 Ca -0.04 -3.73 0.14 0.00 -0.05 0.00 0.00 57.45 53.77 1rrs n PHE 65 Cb 0.77 -0.19 0.52 0.00 -0.94 0.00 0.00 39.48 39.64 1rrs n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1rrs h PRO 66 N 5.07 0.35 -4.94 -1.08 0.11 -1.24 -3.40 132.00 126.87 1rrs h PRO 66 Ca 0.19 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.91 1rrs h PRO 66 Cb 0.83 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 31.72 1rrs h PRO 66 CO 0.54 0.23 -0.62 0.95 -0.21 0.00 0.00 178.00 178.90 1rrs s THR 67 N -5.35 0.66 0.24 -1.15 -4.23 -1.26 -4.98 115.64 99.57 1rrs s THR 67 Ca -0.07 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1rrs s THR 67 Cb 0.20 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.51 1rrs s THR 67 CO 0.75 -0.02 1.74 0.25 -0.54 0.00 0.00 174.62 176.80 1rrs h LEU 68 N 2.36 0.83 -0.26 4.79 6.46 -1.94 -1.95 115.31 125.59 1rrs h LEU 68 Ca -0.39 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 1rrs h LEU 68 Cb 1.25 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1rrs h LEU 68 CO 0.62 0.88 0.15 -0.33 -0.62 0.00 0.00 178.44 179.15 1rrs h GLU 69 N 0.80 0.31 -0.87 1.25 5.08 -1.94 0.39 114.58 119.61 1rrs h GLU 69 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1rrs h GLU 69 Cb 0.46 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1rrs h GLU 69 CO 0.02 0.20 0.57 0.00 -1.00 0.00 0.00 179.01 178.80 1rrs h ALA 70 N 1.11 1.13 -0.30 3.43 0.00 -1.85 0.13 119.26 122.90 1rrs h ALA 70 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rrs h ALA 70 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1rrs h ALA 70 CO -0.04 0.45 0.01 1.25 0.00 0.00 0.00 179.25 180.92 1rrs h LEU 71 N 1.13 0.51 0.09 0.00 6.46 -0.75 -0.56 115.31 122.18 1rrs h LEU 71 Ca 0.34 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1rrs h LEU 71 Cb -0.05 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1rrs h LEU 71 CO -0.10 0.68 -0.07 0.00 -0.62 0.00 0.00 178.44 178.33 1rrs h ALA 72 N 0.84 -0.16 0.00 1.25 0.00 0.34 -2.59 119.26 118.95 1rrs h ALA 72 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rrs h ALA 72 Cb 0.42 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rrs h ALA 72 CO 0.01 -0.60 0.00 -0.44 0.00 0.00 0.00 179.25 178.23 1rrs h ASP 73 N -0.17 0.00 -4.01 0.00 3.32 -0.73 -3.45 116.42 111.37 1rrs h ASP 73 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1rrs h ASP 73 Cb 0.16 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.83 1rrs h ASP 73 CO -0.01 0.00 0.63 0.00 -1.72 0.00 0.00 179.24 178.14 1rrs s ALA 74 N -3.73 3.04 1.13 3.45 0.00 -0.22 -4.98 121.76 120.44 1rrs s ALA 74 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 1rrs s ALA 74 Cb 0.10 -3.55 0.25 0.00 0.00 0.00 0.00 23.12 19.92 1rrs s ALA 74 CO 0.52 -1.17 1.07 0.34 0.00 0.00 0.00 175.76 176.52 1rrs s ASP 75 N -0.81 1.45 0.02 0.00 2.15 -1.26 -4.94 116.67 113.27 1rrs s ASP 75 Ca 0.65 1.09 0.04 0.00 0.43 0.00 0.00 52.55 54.75 1rrs s ASP 75 Cb -0.40 -1.67 -0.25 0.00 -0.30 0.00 0.00 42.92 40.31 1rrs s ASP 75 CO 0.50 -3.85 0.90 -0.08 -0.17 0.00 0.00 175.17 172.47 1rrs h GLU 76 N -2.38 0.12 -0.31 4.34 4.57 -1.96 -3.21 114.58 115.74 1rrs h GLU 76 Ca -0.54 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.42 1rrs h GLU 76 Cb 1.33 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1rrs h GLU 76 CO 0.49 0.92 0.13 -0.44 -1.18 0.00 0.00 179.01 178.93 1rrs h ASP 77 N 0.03 0.43 -0.68 1.04 3.45 -1.97 -2.21 116.42 116.51 1rrs h ASP 77 Ca -0.20 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.07 1rrs h ASP 77 Cb 1.95 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 40.58 1rrs h ASP 77 CO 0.13 0.47 0.32 -0.08 -1.57 0.00 0.00 179.24 178.51 1rrs h GLU 78 N 0.36 1.00 -0.38 3.56 4.81 -1.96 -2.29 114.58 119.69 1rrs h GLU 78 Ca 0.11 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1rrs h GLU 78 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1rrs h GLU 78 CO -0.01 0.79 0.15 0.28 -0.73 0.00 0.00 179.01 179.49 1rrs h VAL 79 N 1.00 1.19 -0.41 0.32 2.07 -1.49 -2.24 116.25 116.69 1rrs h VAL 79 Ca 0.24 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1rrs h VAL 79 Cb 0.13 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1rrs h VAL 79 CO -0.03 0.21 0.04 -0.07 0.02 0.00 0.00 177.57 177.74 1rrs h LEU 80 N 0.47 0.60 -1.09 2.57 3.38 -1.20 -2.55 115.31 117.49 1rrs h LEU 80 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1rrs h LEU 80 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1rrs h LEU 80 CO -0.01 0.65 0.12 0.50 0.09 0.00 0.00 178.44 179.78 1rrs h LYS 81 N 0.62 0.77 0.00 1.13 1.63 -1.03 -0.81 116.57 118.86 1rrs h LYS 81 Ca 0.13 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1rrs h LYS 81 Cb 0.33 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1rrs h LYS 81 CO 0.01 0.70 0.00 0.00 -3.45 0.00 0.00 179.45 176.70 1rrs h ALA 82 N 1.39 1.00 -0.01 5.00 0.00 -1.00 -2.63 119.26 123.01 1rrs h ALA 82 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rrs h ALA 82 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rrs h ALA 82 CO -0.00 0.00 -0.54 1.87 0.00 0.00 0.00 179.25 180.58 1rrs n TRP 83 N -2.91 0.00 -1.67 0.00 -0.00 -0.71 -4.82 117.44 107.33 1rrs n TRP 83 Ca 0.02 0.00 -0.56 0.00 -0.00 0.00 0.00 57.50 56.96 1rrs n TRP 83 Cb 0.34 -0.01 -0.07 0.00 -0.00 0.00 0.00 31.31 31.57 1rrs n TRP 83 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1rrs n GLU 84 N -0.32 1.25 -0.02 5.87 2.13 -0.39 -1.20 120.64 127.96 1rrs n GLU 84 Ca 0.09 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1rrs n GLU 84 Cb 0.44 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1rrs n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rrs n GLY 85 N 4.61 0.48 0.09 8.31 0.00 -1.26 -4.93 105.19 112.48 1rrs n GLY 85 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1rrs n GLY 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rrs h LEU 86 N 0.00 0.21 0.00 0.99 5.85 -1.54 -3.49 115.31 117.32 1rrs h LEU 86 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1rrs h LEU 86 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1rrs h LEU 86 CO 0.00 1.14 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 1rrs n GLY 87 N 1.34 0.56 4.13 3.75 0.00 -1.26 -4.97 105.19 108.74 1rrs n GLY 87 Ca -0.04 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1rrs n GLY 87 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rrs n TYR 88 N 0.90 -1.25 0.23 1.61 0.53 -1.26 -4.77 117.16 113.15 1rrs n TYR 88 Ca 0.00 0.23 0.18 0.00 -1.02 0.00 0.00 57.90 57.29 1rrs n TYR 88 Cb 0.00 -2.61 0.86 0.00 -1.03 0.00 0.00 39.34 36.56 1rrs n TYR 88 CO 0.00 0.00 0.00 1.88 -1.02 0.00 0.00 176.86 177.72 1rrs h TYR 89 N -2.09 0.00 -0.01 -0.72 -1.99 -1.95 -1.37 116.97 108.84 1rrs h TYR 89 Ca -0.66 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.08 1rrs h TYR 89 Cb 1.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 1rrs h TYR 89 CO 0.40 0.00 0.04 1.03 -0.00 0.00 0.00 178.16 179.63 1rrs h SER 90 N 0.00 0.00 -0.70 3.88 0.87 -1.91 -1.21 113.55 114.48 1rrs h SER 90 Ca 0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1rrs h SER 90 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1rrs h SER 90 CO -0.00 0.00 0.42 0.03 -0.53 0.00 0.00 176.83 176.75 1rrs h ARG 91 N 0.00 0.94 0.00 2.24 3.08 -1.57 -0.39 114.38 118.68 1rrs h ARG 91 Ca 0.00 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 1rrs h ARG 91 Cb 0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1rrs h ARG 91 CO -0.00 0.67 -0.92 -0.24 -1.07 0.00 0.00 179.97 178.40 1rrs h VAL 92 N 0.95 1.62 -0.55 2.04 3.04 -1.44 -1.32 116.25 120.59 1rrs h VAL 92 Ca 0.25 -3.22 -0.06 0.00 -1.01 0.00 0.00 66.70 62.66 1rrs h VAL 92 Cb -0.03 2.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.98 1rrs h VAL 92 CO -0.05 0.91 0.11 0.03 -1.01 0.00 0.00 177.57 177.56 1rrs h ARG 93 N 0.00 0.90 -0.12 4.17 3.08 -1.21 -0.12 114.38 121.07 1rrs h ARG 93 Ca -0.01 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1rrs h ARG 93 Cb 1.68 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 1rrs h ARG 93 CO 0.12 0.86 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.93 1rrs h ASN 94 N 0.79 0.23 -0.88 7.04 -0.26 -1.04 -2.62 115.58 118.84 1rrs h ASN 94 Ca 0.17 -0.38 0.06 0.00 -0.56 0.00 0.00 56.30 55.59 1rrs h ASN 94 Cb 0.38 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.52 1rrs h ASN 94 CO 0.01 0.56 0.55 0.25 -1.06 0.00 0.00 177.43 177.74 1rrs h LEU 95 N -0.09 0.88 -0.94 1.61 5.85 -1.10 0.12 115.31 121.64 1rrs h LEU 95 Ca 0.03 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1rrs h LEU 95 Cb 0.46 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1rrs h LEU 95 CO 0.01 0.58 0.47 -0.74 -0.34 0.00 0.00 178.44 178.42 1rrs h HIS 96 N 1.02 1.20 -0.13 1.25 2.76 -0.98 -0.26 115.15 120.02 1rrs h HIS 96 Ca 0.38 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.45 1rrs h HIS 96 Cb 0.13 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1rrs h HIS 96 CO -0.03 0.83 -0.18 0.00 -1.30 0.00 0.00 177.93 177.26 1rrs h ALA 97 N 1.29 0.20 -0.92 5.26 0.00 -0.95 -1.90 119.26 122.24 1rrs h ALA 97 Ca 0.31 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1rrs h ALA 97 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1rrs h ALA 97 CO -0.05 0.11 0.60 0.00 0.00 0.00 0.00 179.25 179.92 1rrs h ALA 98 N 0.57 1.44 -0.06 0.00 0.00 -0.53 -1.08 119.26 119.60 1rrs h ALA 98 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rrs h ALA 98 Cb 0.74 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rrs h ALA 98 CO 0.04 0.46 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 1rrs h VAL 99 N 1.12 1.40 -0.37 0.00 2.07 -1.04 -0.78 116.25 118.65 1rrs h VAL 99 Ca 0.37 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.67 1rrs h VAL 99 Cb 0.06 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1rrs h VAL 99 CO -0.12 0.37 0.32 0.11 0.02 0.00 0.00 177.57 178.27 1rrs h LYS 100 N -0.32 0.00 0.11 1.57 1.57 -1.04 -0.53 116.57 117.94 1rrs h LYS 100 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1rrs h LYS 100 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.96 1rrs h LYS 100 CO 0.02 0.00 -0.79 1.49 -0.57 0.00 0.00 179.45 179.59 1rrs h GLU 101 N 0.00 0.34 -0.52 3.15 4.81 -0.91 -2.85 114.58 118.60 1rrs h GLU 101 Ca 0.18 -0.52 0.06 0.00 -0.13 0.00 0.00 59.36 58.95 1rrs h GLU 101 Cb 0.82 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1rrs h GLU 101 CO -0.00 1.22 0.35 0.28 -0.73 0.00 0.00 179.01 180.13 1rrs h VAL 102 N -0.28 0.99 0.20 0.32 2.07 0.40 0.28 116.25 120.23 1rrs h VAL 102 Ca -0.13 -0.17 -0.34 0.00 0.82 0.00 0.00 66.70 66.88 1rrs h VAL 102 Cb 1.59 0.46 0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1rrs h VAL 102 CO 0.15 0.09 -1.62 0.07 0.02 0.00 0.00 177.57 176.28 1rrs h LYS 103 N 0.48 0.43 -0.02 1.57 -0.00 -1.51 -0.64 116.57 116.88 1rrs h LYS 103 Ca 0.23 -0.74 -0.22 0.00 -0.00 0.00 0.00 60.65 59.91 1rrs h LYS 103 Cb 0.28 0.28 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1rrs h LYS 103 CO -0.06 1.35 -0.91 1.79 -0.00 0.00 0.00 179.45 181.62 1rrs h THR 104 N 0.08 1.38 0.01 0.07 1.35 -1.26 -2.90 112.91 111.63 1rrs h THR 104 Ca -0.31 -2.35 -0.37 0.00 -0.55 0.00 0.00 66.41 62.83 1rrs h THR 104 Cb 2.09 2.34 -0.07 0.00 -1.73 0.00 0.00 68.15 70.79 1rrs h THR 104 CO 0.20 0.71 -2.33 -1.14 -0.25 0.00 0.00 175.52 172.71 1rrs n ARG 105 N -3.78 0.68 -0.29 4.72 0.63 0.97 -4.60 116.66 114.98 1rrs n ARG 105 Ca -0.07 0.08 0.09 0.00 -0.92 0.00 0.00 57.85 57.03 1rrs n ARG 105 Cb 0.81 -1.56 0.21 0.00 0.45 0.00 0.00 32.46 32.37 1rrs n ARG 105 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1rrs n TYR 106 N -2.97 0.56 -3.51 -0.14 4.01 -0.42 -5.00 117.16 109.70 1rrs n TYR 106 Ca -0.35 -0.91 -0.18 0.00 -0.16 0.00 0.00 57.90 56.30 1rrs n TYR 106 Cb 1.09 -0.24 0.08 0.00 -0.31 0.00 0.00 39.34 39.96 1rrs n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rrs n GLY 107 N -0.84 -0.35 2.32 2.72 0.00 -0.98 -2.24 105.19 105.82 1rrs n GLY 107 Ca 0.19 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 1rrs n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrs n GLY 108 N -1.27 1.49 3.48 -0.02 0.00 -0.38 -4.90 105.19 103.59 1rrs n GLY 108 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1rrs n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rrs s LYS 109 N -3.30 3.49 -0.21 1.61 2.47 -0.95 -4.87 119.74 117.98 1rrs s LYS 109 Ca 0.00 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 53.55 1rrs s LYS 109 Cb 0.00 -2.80 -0.01 0.00 -1.46 0.00 0.00 37.83 33.56 1rrs s LYS 109 CO 0.00 0.29 1.28 0.08 0.16 0.00 0.00 175.35 177.16 1rrs s VAL 110 N 0.20 4.24 0.15 4.02 1.01 -1.26 -4.76 120.40 124.00 1rrs s VAL 110 Ca -0.04 1.47 -0.34 0.00 0.00 0.00 0.00 61.98 63.07 1rrs s VAL 110 Cb -0.14 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 1rrs s VAL 110 CO 0.03 -0.24 1.30 -2.65 0.00 0.00 0.00 175.10 173.55 1rrs n PRO 111 N 6.84 1.38 -0.30 2.72 -0.02 -1.26 -4.86 135.00 139.50 1rrs n PRO 111 Ca 0.14 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1rrs n PRO 111 Cb 0.45 -2.09 0.28 0.00 -0.02 0.00 0.00 33.50 32.12 1rrs n PRO 111 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rrs n ASP 112 N 2.36 3.77 -4.51 2.55 5.75 -1.26 -4.56 116.55 120.66 1rrs n ASP 112 Ca 0.16 -2.00 -0.37 0.00 -0.01 0.00 0.00 54.79 52.57 1rrs n ASP 112 Cb 0.24 -0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 39.82 1rrs n ASP 112 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rrs s ASP 113 N -1.21 5.52 0.27 -1.12 2.15 -1.26 -4.96 116.67 116.06 1rrs s ASP 113 Ca 0.45 -0.12 -0.08 0.00 0.43 0.00 0.00 52.55 53.23 1rrs s ASP 113 Cb 0.25 -2.01 0.46 0.00 -0.30 0.00 0.00 42.92 41.32 1rrs s ASP 113 CO 0.33 -0.04 1.57 -0.65 -0.17 0.00 0.00 175.17 176.21 1rrs h PRO 114 N 8.29 0.00 -0.76 4.34 0.11 -1.95 0.20 132.00 142.24 1rrs h PRO 114 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1rrs h PRO 114 Cb 1.18 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1rrs h PRO 114 CO 0.57 0.00 0.48 -0.44 -0.21 0.00 0.00 178.00 178.40 1rrs h ASP 115 N 0.00 0.89 0.12 -2.05 3.32 -1.97 0.27 116.42 117.00 1rrs h ASP 115 Ca 0.47 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1rrs h ASP 115 Cb 0.75 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1rrs h ASP 115 CO -0.96 0.67 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.85 1rrs h GLU 116 N 1.03 -0.16 -0.56 3.56 5.08 -1.13 -3.23 114.58 119.18 1rrs h GLU 116 Ca 0.27 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1rrs h GLU 116 Cb -0.07 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1rrs h GLU 116 CO -0.06 0.31 0.37 0.35 -1.00 0.00 0.00 179.01 178.98 1rrs h PHE 117 N -0.74 0.70 0.00 4.33 3.57 -0.79 -1.67 116.94 122.34 1rrs h PHE 117 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rrs h PHE 117 Cb 0.54 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1rrs h PHE 117 CO 0.09 0.44 0.00 0.45 -2.23 0.00 0.00 178.31 177.06 1rrs n SER 118 N -4.45 0.63 0.19 0.41 2.88 0.95 -2.26 113.62 111.97 1rrs n SER 118 Ca 0.05 0.68 0.12 0.00 -1.33 0.00 0.00 58.87 58.39 1rrs n SER 118 Cb 0.05 -0.80 0.15 0.00 -0.75 0.00 0.00 64.21 62.85 1rrs n SER 118 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1rrs h ARG 119 N 0.00 0.00 -7.07 -1.46 -0.00 -1.32 -3.45 114.38 101.08 1rrs h ARG 119 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.94 1rrs h ARG 119 Cb 0.28 0.00 0.12 0.00 0.00 0.00 0.00 29.97 30.38 1rrs h ARG 119 CO 0.00 0.00 0.53 -0.51 0.00 0.00 0.00 179.97 179.99 1rrs s LEU 120 N -5.98 3.75 0.35 3.04 1.43 -0.96 -4.94 118.68 115.38 1rrs s LEU 120 Ca 0.06 2.55 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 1rrs s LEU 120 Cb 0.06 -4.46 -0.11 0.00 0.03 0.00 0.00 46.19 41.72 1rrs s LEU 120 CO 0.69 -1.60 1.42 -1.59 0.23 0.00 0.00 176.35 175.50 1rrs s LYS 121 N -3.13 4.20 0.00 1.70 0.00 -1.26 -2.72 119.74 118.53 1rrs s LYS 121 Ca 0.75 2.44 0.00 0.00 0.00 0.00 0.00 55.97 59.16 1rrs s LYS 121 Cb -0.35 -3.01 0.00 0.00 0.00 0.00 0.00 37.83 34.47 1rrs s LYS 121 CO 0.39 -0.41 0.00 0.41 0.00 0.00 0.00 175.35 175.75 1rrs n GLY 122 N 0.68 1.87 3.53 0.59 0.00 -1.26 -4.41 105.19 106.19 1rrs n GLY 122 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1rrs n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrs s VAL 123 N -3.38 4.95 0.41 1.61 1.01 -1.10 -4.96 120.40 118.94 1rrs s VAL 123 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1rrs s VAL 123 Cb 0.00 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1rrs s VAL 123 CO 0.00 -0.42 0.24 0.61 0.00 0.00 0.00 175.10 175.53 1rrs n GLY 124 N 4.95 3.03 0.30 4.51 0.00 -1.26 -4.83 105.19 111.89 1rrs n GLY 124 Ca -0.04 -2.28 0.11 0.00 0.00 0.00 0.00 46.02 43.80 1rrs n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rrs h PRO 125 N 0.00 0.18 0.03 1.61 0.13 -1.96 -0.07 132.00 131.91 1rrs h PRO 125 Ca -0.28 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1rrs h PRO 125 Cb 0.97 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1rrs h PRO 125 CO 0.45 0.12 -0.01 -0.92 -0.23 0.00 0.00 178.00 177.40 1rrs h TYR 126 N 0.19 -0.03 -0.38 1.56 3.20 -1.87 -2.85 116.97 116.79 1rrs h TYR 126 Ca 0.51 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.35 1rrs h TYR 126 Cb 0.99 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1rrs h TYR 126 CO -0.31 0.27 0.11 1.15 -1.64 0.00 0.00 178.16 177.74 1rrs h THR 127 N -0.34 1.17 0.03 1.81 2.02 -1.72 0.17 112.91 116.05 1rrs h THR 127 Ca -0.00 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1rrs h THR 127 Cb 0.32 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1rrs h THR 127 CO 0.01 0.22 -0.01 0.58 0.37 0.00 0.00 175.52 176.68 1rrs h VAL 128 N 0.55 1.00 -0.39 3.16 2.07 -1.05 -1.90 116.25 119.69 1rrs h VAL 128 Ca 0.13 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1rrs h VAL 128 Cb 0.19 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1rrs h VAL 128 CO -0.01 0.02 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 1rrs h GLY 129 N -0.08 0.76 0.98 2.17 0.00 -1.17 -2.40 103.07 103.32 1rrs h GLY 129 Ca -0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1rrs h GLY 129 CO 0.01 0.52 -0.35 0.00 0.00 0.00 0.00 176.54 176.72 1rrs h ALA 130 N 0.87 -0.97 0.13 3.60 0.00 -0.62 -1.67 119.26 120.61 1rrs h ALA 130 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rrs h ALA 130 Cb 0.49 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1rrs h ALA 130 CO 0.02 -1.03 -0.06 0.28 0.00 0.00 0.00 179.25 178.46 1rrs h VAL 131 N -1.01 0.95 -0.31 0.00 2.07 -1.43 -1.71 116.25 114.80 1rrs h VAL 131 Ca -0.10 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1rrs h VAL 131 Cb 0.76 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1rrs h VAL 131 CO 0.16 0.07 -0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1rrs h LEU 132 N -0.32 0.51 0.02 2.57 3.38 -1.51 0.62 115.31 120.58 1rrs h LEU 132 Ca -0.02 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1rrs h LEU 132 Cb 0.26 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1rrs h LEU 132 CO 0.03 0.65 -0.45 0.77 0.09 0.00 0.00 178.44 179.53 1rrs h SER 133 N 0.49 0.35 -0.22 -0.43 4.64 -1.31 0.23 113.55 117.29 1rrs h SER 133 Ca 0.09 -0.82 -0.15 0.00 -0.47 0.00 0.00 61.79 60.44 1rrs h SER 133 Cb 0.48 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1rrs h SER 133 CO 0.03 1.13 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.64 1rrs h LEU 134 N -0.38 0.82 0.09 5.97 3.38 -1.30 -1.56 115.31 122.33 1rrs h LEU 134 Ca -0.06 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 1rrs h LEU 134 Cb 1.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1rrs h LEU 134 CO 0.09 1.12 -1.87 0.00 0.09 0.00 0.00 178.44 177.87 1rrs n ALA 135 N -2.53 0.90 0.51 1.53 0.00 0.21 -4.62 120.51 116.50 1rrs n ALA 135 Ca -0.02 -0.61 0.06 0.00 0.00 0.00 0.00 53.44 52.87 1rrs n ALA 135 Cb 0.54 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 1rrs n ALA 135 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rrs n TYR 136 N -3.72 0.00 -0.90 0.00 0.53 -0.12 -4.87 117.16 108.10 1rrs n TYR 136 Ca -0.33 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.55 1rrs n TYR 136 Cb 0.96 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 39.23 1rrs n TYR 136 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1rrs n GLY 137 N 1.35 0.53 3.69 2.72 0.00 0.61 -4.94 105.19 109.15 1rrs n GLY 137 Ca 0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1rrs n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrs s VAL 138 N -2.00 3.11 0.00 1.61 1.01 -0.63 -4.71 120.40 118.79 1rrs s VAL 138 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1rrs s VAL 138 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1rrs s VAL 138 CO 0.00 0.00 0.39 -2.65 0.00 0.00 0.00 175.10 172.84 1rrs n PRO 139 N 5.34 0.22 -3.80 2.72 -0.02 -1.26 -3.74 135.00 134.44 1rrs n PRO 139 Ca 0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 1rrs n PRO 139 Cb 0.41 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 1rrs n PRO 139 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1rrs s GLU 140 N 1.39 3.54 0.61 -0.52 8.01 -1.26 -4.98 118.70 125.49 1rrs s GLU 140 Ca 0.00 -0.08 -0.19 0.00 0.01 0.00 0.00 54.97 54.71 1rrs s GLU 140 Cb 0.00 -3.14 -0.02 0.00 -4.31 0.00 0.00 34.13 26.65 1rrs s GLU 140 CO 0.00 0.71 1.29 -1.25 0.01 0.00 0.00 175.26 176.02 1rrs s PRO 141 N -1.40 2.76 -0.54 0.39 0.04 -1.26 -4.72 135.00 130.27 1rrs s PRO 141 Ca 0.22 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.37 1rrs s PRO 141 Cb -0.13 -1.95 0.23 0.00 0.04 0.00 0.00 34.50 32.70 1rrs s PRO 141 CO 0.11 -1.43 0.61 0.00 0.04 0.00 0.00 177.00 176.33 1rrs n ALA 142 N -1.66 3.33 -2.56 8.56 0.00 -1.26 -3.89 120.51 123.04 1rrs n ALA 142 Ca 0.14 -4.13 -0.42 0.00 0.00 0.00 0.00 53.44 49.03 1rrs n ALA 142 Cb 0.48 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1rrs n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rrs s VAL 143 N -1.71 4.93 0.00 0.00 1.01 -1.26 -4.88 120.40 118.49 1rrs s VAL 143 Ca 0.36 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1rrs s VAL 143 Cb 0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1rrs s VAL 143 CO -0.08 -0.30 0.00 -0.46 0.00 0.00 0.00 175.10 174.26 1rrs n ASN 144 N 5.95 1.38 -0.06 3.32 6.94 -1.26 -4.56 115.26 126.96 1rrs n ASN 144 Ca -0.03 -0.96 -0.08 0.00 -0.02 0.00 0.00 54.58 53.50 1rrs n ASN 144 Cb 0.49 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.89 1rrs n ASN 144 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1rrs h GLY 145 N 0.00 0.28 0.73 4.83 0.00 -1.99 -0.26 103.07 106.65 1rrs h GLY 145 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1rrs h GLY 145 CO 0.00 -0.02 0.08 3.43 0.00 0.00 0.00 176.54 180.04 1rrs h ASN 146 N 0.13 0.07 -0.33 0.19 2.35 -1.93 -1.65 115.58 114.41 1rrs h ASN 146 Ca 0.12 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1rrs h ASN 146 Cb 0.13 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1rrs h ASN 146 CO -0.16 0.08 0.18 0.58 -1.65 0.00 0.00 177.43 176.45 1rrs h VAL 147 N 0.20 1.13 -0.55 2.81 2.07 -1.76 -1.56 116.25 118.60 1rrs h VAL 147 Ca 0.13 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1rrs h VAL 147 Cb 0.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1rrs h VAL 147 CO -0.15 0.14 0.34 0.24 0.02 0.00 0.00 177.57 178.16 1rrs h MET 148 N 0.41 0.73 -0.48 1.57 2.86 -0.81 0.21 114.93 119.43 1rrs h MET 148 Ca 0.12 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1rrs h MET 148 Cb 0.06 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1rrs h MET 148 CO -0.02 0.50 0.01 -0.09 1.06 0.00 0.00 176.91 178.37 1rrs h ARG 149 N 0.75 0.83 -0.06 1.72 2.43 -0.82 0.66 114.38 119.89 1rrs h ARG 149 Ca 0.20 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1rrs h ARG 149 Cb -0.05 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1rrs h ARG 149 CO -0.04 0.87 -0.01 0.28 -1.51 0.00 0.00 179.97 179.56 1rrs h VAL 150 N 0.69 1.28 -0.28 0.20 2.07 -0.40 -2.85 116.25 116.96 1rrs h VAL 150 Ca 0.14 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1rrs h VAL 150 Cb 0.49 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1rrs h VAL 150 CO 0.02 0.24 -0.22 -0.07 0.02 0.00 0.00 177.57 177.56 1rrs h LEU 151 N -0.22 0.51 -1.52 2.57 3.38 -0.60 -0.02 115.31 119.41 1rrs h LEU 151 Ca 0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1rrs h LEU 151 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rrs h LEU 151 CO 0.00 0.74 -0.24 0.77 0.09 0.00 0.00 178.44 179.81 1rrs h SER 152 N 0.46 0.00 0.00 -0.43 4.64 -0.86 -1.64 113.55 115.72 1rrs h SER 152 Ca 0.07 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1rrs h SER 152 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1rrs h SER 152 CO 0.05 0.24 -0.66 0.03 -0.87 0.00 0.00 176.83 175.61 1rrs h ARG 153 N 0.00 0.00 -0.22 4.77 3.08 -1.20 0.20 114.38 121.01 1rrs h ARG 153 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1rrs h ARG 153 Cb 0.53 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1rrs h ARG 153 CO 0.03 0.92 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.58 1rrs h LEU 154 N -1.00 -0.65 -2.13 3.04 3.38 -0.98 -1.88 115.31 115.09 1rrs h LEU 154 Ca -0.18 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rrs h LEU 154 Cb 1.10 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1rrs h LEU 154 CO -0.11 -0.24 0.00 0.49 0.09 0.00 0.00 178.44 178.67 1rrs n PHE 155 N -5.35 0.80 -4.09 1.13 3.72 -0.62 -1.63 117.46 111.41 1rrs n PHE 155 Ca -0.01 -0.39 -0.33 0.00 -0.05 0.00 0.00 57.45 56.67 1rrs n PHE 155 Cb 0.26 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1rrs n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1rrs n LEU 156 N 1.14 -2.05 -4.69 4.37 7.94 -0.42 -4.91 117.00 118.38 1rrs n LEU 156 Ca 0.19 -0.93 -0.42 0.00 -1.11 0.00 0.00 56.01 53.75 1rrs n LEU 156 Cb 0.50 -2.27 -0.04 0.00 0.53 0.00 0.00 43.42 42.15 1rrs n LEU 156 CO 0.13 0.36 0.65 -0.69 -1.11 0.00 0.00 177.39 176.74 1rrs s VAL 157 N -3.34 4.87 -2.51 1.96 1.01 0.58 -4.94 120.40 118.02 1rrs s VAL 157 Ca 0.66 1.79 0.23 0.00 0.00 0.00 0.00 61.98 64.66 1rrs s VAL 157 Cb -0.35 -4.20 0.41 0.00 0.00 0.00 0.00 36.38 32.24 1rrs s VAL 157 CO 0.89 0.06 1.41 0.35 0.00 0.00 0.00 175.10 177.81 1rrs n THR 158 N 4.47 0.44 -1.95 3.92 -2.24 -1.26 -4.73 114.28 112.93 1rrs n THR 158 Ca 0.05 -0.70 -0.37 0.00 -2.27 0.00 0.00 64.05 60.76 1rrs n THR 158 Cb 0.49 0.98 0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1rrs n THR 158 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rrs s ASP 159 N -1.54 5.43 -0.24 3.42 1.01 -1.26 -4.65 116.67 118.84 1rrs s ASP 159 Ca 0.38 2.57 -0.28 0.00 0.71 0.00 0.00 52.55 55.92 1rrs s ASP 159 Cb 0.22 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1rrs s ASP 159 CO 0.31 -1.44 2.00 -0.62 0.21 0.00 0.00 175.17 175.63 1rrs s ASP 160 N -1.21 5.77 0.00 0.27 -1.08 -1.26 -4.45 116.67 114.70 1rrs s ASP 160 Ca 0.71 1.72 0.03 0.00 -0.52 0.00 0.00 52.55 54.49 1rrs s ASP 160 Cb -0.35 -2.52 0.15 0.00 -1.46 0.00 0.00 42.92 38.74 1rrs s ASP 160 CO 0.41 -1.74 1.04 2.30 0.52 0.00 0.00 175.17 177.70 1rrs n ILE 161 N 7.35 1.51 0.16 4.11 -5.35 -0.77 -1.29 119.36 125.07 1rrs n ILE 161 Ca 0.26 0.38 0.04 0.00 -0.27 0.00 0.00 62.75 63.15 1rrs n ILE 161 Cb 0.45 -1.32 0.12 0.00 -1.74 0.00 0.00 39.64 37.15 1rrs n ILE 161 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rrs h ALA 162 N 2.13 0.76 -2.46 -1.28 0.00 -1.87 -3.43 119.26 113.11 1rrs h ALA 162 Ca 0.00 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1rrs h ALA 162 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rrs h ALA 162 CO 0.00 0.56 0.62 0.15 0.00 0.00 0.00 179.25 180.58 1rrs s LYS 163 N -3.13 4.40 0.34 0.00 1.02 -0.41 -4.90 119.74 117.05 1rrs s LYS 163 Ca 0.03 1.80 0.07 0.00 0.02 0.00 0.00 55.97 57.89 1rrs s LYS 163 Cb 0.08 -3.39 0.76 0.00 -0.52 0.00 0.00 37.83 34.77 1rrs s LYS 163 CO 0.72 -0.33 1.86 -1.35 -0.92 0.00 0.00 175.35 175.33 1rrs h PRO 164 N 6.98 0.73 -0.59 -1.68 0.11 -1.88 0.56 132.00 136.23 1rrs h PRO 164 Ca -0.40 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.78 1rrs h PRO 164 Cb 1.20 -0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 1rrs h PRO 164 CO 0.83 0.49 0.09 0.66 -0.21 0.00 0.00 178.00 179.86 1rrs h SER 165 N 0.76 -0.07 -0.44 -2.05 4.64 -1.92 0.12 113.55 114.59 1rrs h SER 165 Ca 0.47 0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.95 1rrs h SER 165 Cb 0.69 0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 1rrs h SER 165 CO -0.23 -0.02 0.19 0.74 -0.87 0.00 0.00 176.83 176.64 1rrs h THR 166 N 0.21 0.92 -0.27 2.95 2.02 -1.13 -0.14 112.91 117.47 1rrs h THR 166 Ca 0.31 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1rrs h THR 166 Cb 0.47 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1rrs h THR 166 CO -0.43 0.07 -0.05 -0.09 0.37 0.00 0.00 175.52 175.39 1rrs h ARG 167 N 0.38 0.02 -0.76 6.66 2.43 -0.80 -0.72 114.38 121.59 1rrs h ARG 167 Ca 0.20 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1rrs h ARG 167 Cb 0.14 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1rrs h ARG 167 CO -0.17 0.01 0.40 0.87 -1.51 0.00 0.00 179.97 179.58 1rrs h LYS 168 N 0.02 0.65 -0.35 0.20 1.57 -0.07 0.16 116.57 118.75 1rrs h LYS 168 Ca 0.13 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1rrs h LYS 168 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1rrs h LYS 168 CO -0.27 0.43 0.23 -0.09 -0.57 0.00 0.00 179.45 179.18 1rrs h ARG 169 N 0.67 0.45 -0.59 3.15 9.65 -0.02 -1.61 114.38 126.07 1rrs h ARG 169 Ca 0.37 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.20 1rrs h ARG 169 Cb 0.38 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1rrs h ARG 169 CO -0.27 0.30 0.26 0.74 2.80 0.00 0.00 179.97 183.80 1rrs h PHE 170 N 0.46 0.84 -0.23 2.20 0.05 0.13 -1.09 116.94 119.30 1rrs h PHE 170 Ca 0.13 -0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 1rrs h PHE 170 Cb -0.04 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.63 1rrs h PHE 170 CO -0.06 0.63 -0.07 0.93 -0.18 0.00 0.00 178.31 179.57 1rrs h GLU 171 N 0.84 0.36 -0.35 1.51 5.08 -0.12 -1.25 114.58 120.64 1rrs h GLU 171 Ca 0.20 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1rrs h GLU 171 Cb 0.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1rrs h GLU 171 CO -0.02 0.44 -0.37 1.96 -1.00 0.00 0.00 179.01 180.01 1rrs h GLN 172 N 0.34 0.87 -0.39 2.33 1.08 -0.33 -2.48 115.11 116.54 1rrs h GLN 172 Ca 0.07 -0.47 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1rrs h GLN 172 Cb 0.34 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1rrs h GLN 172 CO 0.02 1.11 0.07 0.82 -0.95 0.00 0.00 178.83 179.90 1rrs h ILE 173 N 0.67 1.19 -0.21 2.54 2.04 -0.48 -2.79 117.51 120.47 1rrs h ILE 173 Ca 0.05 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1rrs h ILE 173 Cb 0.96 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1rrs h ILE 173 CO 0.09 0.25 -0.31 0.58 0.00 0.00 0.00 178.15 178.76 1rrs h VAL 174 N 0.57 1.33 -0.21 1.67 2.07 -1.13 -2.94 116.25 117.60 1rrs h VAL 174 Ca 0.13 -1.52 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1rrs h VAL 174 Cb 0.26 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1rrs h VAL 174 CO 0.00 0.47 0.17 0.03 0.02 0.00 0.00 177.57 178.26 1rrs h ARG 175 N 0.28 0.00 -0.02 1.57 3.08 -1.21 0.15 114.38 118.23 1rrs h ARG 175 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1rrs h ARG 175 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1rrs h ARG 175 CO 0.07 0.00 -0.06 -0.85 -1.07 0.00 0.00 179.97 178.06 1rrs n GLU 176 N -4.19 1.60 0.00 0.04 0.28 -1.07 -4.39 120.64 112.91 1rrs n GLU 176 Ca 0.02 -1.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 1rrs n GLU 176 Cb 0.31 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.70 1rrs n GLU 176 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1rrs n ILE 177 N 0.19 0.00 -2.23 3.84 -5.35 -0.49 -4.91 119.36 110.42 1rrs n ILE 177 Ca 0.17 -0.04 -0.35 0.00 -0.27 0.00 0.00 62.75 62.26 1rrs n ILE 177 Cb 0.39 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.74 1rrs n ILE 177 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rrs s MET 178 N -0.04 3.35 -1.20 6.28 0.23 0.39 -4.72 119.30 123.60 1rrs s MET 178 Ca 0.00 1.53 -0.20 0.00 -1.03 0.00 0.00 55.69 55.99 1rrs s MET 178 Cb 0.00 -2.01 0.04 0.00 -1.53 0.00 0.00 34.83 31.33 1rrs s MET 178 CO 0.00 -0.83 1.70 0.00 -2.03 0.00 0.00 175.02 173.86 1rrs s ALA 179 N -1.90 2.90 -0.03 3.16 0.00 -1.26 -4.77 121.76 119.85 1rrs s ALA 179 Ca 0.71 -2.59 0.06 0.00 0.00 0.00 0.00 51.96 50.14 1rrs s ALA 179 Cb -0.22 -4.62 0.35 0.00 0.00 0.00 0.00 23.12 18.63 1rrs s ALA 179 CO 0.28 -3.69 1.00 0.66 0.00 0.00 0.00 175.76 174.01 1rrs n TYR 180 N 9.54 0.22 0.06 0.00 4.01 -1.26 0.32 117.16 130.05 1rrs n TYR 180 Ca 0.44 0.11 -0.12 0.00 -0.16 0.00 0.00 57.90 58.18 1rrs n TYR 180 Cb 0.47 -0.39 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 1rrs n TYR 180 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1rrs h GLU 181 N 0.00 -0.20 -2.47 -0.72 3.07 -1.99 -3.39 114.58 108.88 1rrs h GLU 181 Ca 0.00 0.01 -0.59 0.00 -0.50 0.00 0.00 59.36 58.28 1rrs h GLU 181 Cb 0.80 0.05 -0.40 0.00 -0.84 0.00 0.00 28.75 28.35 1rrs h GLU 181 CO 0.00 0.23 -0.81 -1.71 -1.40 0.00 0.00 179.01 175.33 1rrs n ASN 182 N -4.94 1.56 -0.19 1.42 4.05 0.15 -4.97 115.26 112.34 1rrs n ASN 182 Ca -0.08 -2.91 -0.07 0.00 0.45 0.00 0.00 54.58 51.97 1rrs n ASN 182 Cb 0.27 -0.66 0.02 0.00 1.23 0.00 0.00 39.78 40.64 1rrs n ASN 182 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1rrs h PRO 183 N 4.93 0.78 -0.21 1.20 0.13 -1.62 -1.55 132.00 135.67 1rrs h PRO 183 Ca 0.18 -0.11 0.05 0.00 -0.87 0.00 0.00 66.00 65.25 1rrs h PRO 183 Cb 0.81 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 1rrs h PRO 183 CO 0.59 0.63 -0.14 0.78 -0.23 0.00 0.00 178.00 179.63 1rrs h GLY 184 N 0.74 0.01 1.83 1.56 0.00 -1.85 0.32 103.07 105.68 1rrs h GLY 184 Ca 0.19 0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 1rrs h GLY 184 CO -0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 176.54 175.99 1rrs h ALA 185 N 1.01 1.20 -0.50 3.60 0.00 -1.83 -2.32 119.26 120.41 1rrs h ALA 185 Ca 0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1rrs h ALA 185 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1rrs h ALA 185 CO -0.29 0.54 -0.18 0.35 0.00 0.00 0.00 179.25 179.68 1rrs h PHE 186 N 0.16 1.14 -0.41 0.00 3.57 -0.21 -1.64 116.94 119.55 1rrs h PHE 186 Ca 0.02 -0.26 -0.15 0.00 3.53 0.00 0.00 57.97 61.11 1rrs h PHE 186 Cb 0.74 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1rrs h PHE 186 CO 0.01 1.09 -0.31 -0.91 -2.23 0.00 0.00 178.31 175.96 1rrs h ASN 187 N 0.87 0.99 -0.41 0.41 2.35 -0.18 -2.78 115.58 116.83 1rrs h ASN 187 Ca 0.12 -0.44 -0.12 0.00 -0.55 0.00 0.00 56.30 55.31 1rrs h ASN 187 Cb 0.75 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1rrs h ASN 187 CO 0.06 1.22 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.51 1rrs h GLU 188 N 0.77 0.87 -0.37 0.81 5.08 -1.37 -2.74 114.58 117.62 1rrs h GLU 188 Ca 0.08 -0.39 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1rrs h GLU 188 Cb 0.90 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 1rrs h GLU 188 CO 0.08 1.03 0.01 0.00 -1.00 0.00 0.00 179.01 179.14 1rrs h ALA 189 N 0.82 0.35 -0.93 3.43 0.00 -1.29 0.36 119.26 122.00 1rrs h ALA 189 Ca 0.09 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1rrs h ALA 189 Cb 0.78 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1rrs h ALA 189 CO 0.06 -0.38 0.59 1.25 0.00 0.00 0.00 179.25 180.77 1rrs h LEU 190 N 0.12 0.92 -0.11 0.00 5.85 -1.43 0.37 115.31 121.03 1rrs h LEU 190 Ca 0.18 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1rrs h LEU 190 Cb 0.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1rrs h LEU 190 CO -0.29 0.57 -0.25 0.40 -0.34 0.00 0.00 178.44 178.53 1rrs h ILE 191 N 1.05 1.39 -0.38 4.05 2.04 -0.85 -2.64 117.51 122.16 1rrs h ILE 191 Ca 0.41 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.76 1rrs h ILE 191 Cb 0.22 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1rrs h ILE 191 CO -0.19 0.45 0.18 -0.33 0.00 0.00 0.00 178.15 178.26 1rrs h GLU 192 N -0.07 0.36 -0.42 2.37 4.39 -0.06 0.21 114.58 121.36 1rrs h GLU 192 Ca 0.00 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.76 1rrs h GLU 192 Cb 0.85 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 1rrs h GLU 192 CO 0.05 0.24 -0.12 1.25 -1.16 0.00 0.00 179.01 179.27 1rrs h LEU 193 N 0.37 -0.43 -1.60 1.33 5.85 -0.92 0.85 115.31 120.75 1rrs h LEU 193 Ca 0.17 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 1rrs h LEU 193 Cb 0.09 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rrs h LEU 193 CO -0.13 -0.15 -0.22 1.23 -0.34 0.00 0.00 178.44 178.83 1rrs h GLY 194 N -0.02 0.00 1.38 3.75 0.00 -1.04 0.31 103.07 107.45 1rrs h GLY 194 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.23 1rrs h GLY 194 CO -0.44 0.00 -1.42 0.00 0.00 0.00 0.00 176.54 174.67 1rrs h ALA 195 N 1.78 0.07 0.00 3.60 0.00 0.16 -3.33 119.26 121.55 1rrs h ALA 195 Ca -0.00 -0.95 -0.41 0.00 0.00 0.00 0.00 54.91 53.54 1rrs h ALA 195 Cb 0.43 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1rrs h ALA 195 CO 0.03 0.94 -2.43 1.28 0.00 0.00 0.00 179.25 179.07 1rrs n LEU 196 N -3.57 2.32 0.00 0.00 4.77 0.26 -4.84 117.00 115.94 1rrs n LEU 196 Ca -0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1rrs n LEU 196 Cb 1.06 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1rrs n LEU 196 CO 0.55 0.70 0.00 0.52 -1.33 0.00 0.00 177.39 177.83 1rrs n VAL 197 N -3.77 0.00 -1.13 4.08 0.31 0.89 -4.69 118.33 114.02 1rrs n VAL 197 Ca -0.48 0.41 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 1rrs n VAL 197 Cb 0.91 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 1rrs n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rrs s THR 199 N 3.57 3.48 0.11 0.00 -4.23 -1.25 -4.54 115.64 112.78 1rrs s THR 199 Ca 0.51 0.48 -0.31 0.00 -1.18 0.00 0.00 61.69 61.20 1rrs s THR 199 Cb 0.13 -3.11 -0.10 0.00 1.34 0.00 0.00 72.50 70.76 1rrs s THR 199 CO -0.01 -0.63 1.59 -0.65 -0.54 0.00 0.00 174.62 174.38 1rrs h PRO 200 N -1.01 -0.63 -6.08 3.99 0.11 -1.92 -3.37 132.00 123.10 1rrs h PRO 200 Ca -0.45 0.04 -0.61 0.00 0.11 0.00 0.00 66.00 65.09 1rrs h PRO 200 Cb 1.24 0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 1rrs h PRO 200 CO 0.55 -0.42 -0.55 1.03 -0.21 0.00 0.00 178.00 178.40 1rrs s ARG 201 N -5.92 3.13 -1.16 1.05 3.00 -1.26 -4.68 118.95 113.12 1rrs s ARG 201 Ca -0.16 -0.61 -0.28 0.00 0.00 0.00 0.00 55.73 54.67 1rrs s ARG 201 Cb 0.07 -2.85 0.03 0.00 0.00 0.00 0.00 34.95 32.20 1rrs s ARG 201 CO 0.63 0.57 0.71 2.89 0.00 0.00 0.00 175.30 180.10 1rrs n ARG 202 N 0.20 -0.60 -1.84 3.54 -4.01 -1.26 -4.85 116.66 107.84 1rrs n ARG 202 Ca -0.07 0.24 -0.41 0.00 -1.04 0.00 0.00 57.85 56.57 1rrs n ARG 202 Cb 0.52 -2.95 -0.01 0.00 -3.04 0.00 0.00 32.46 26.98 1rrs n ARG 202 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1rrs s PRO 203 N -6.81 4.15 -1.37 2.89 0.04 -1.26 -4.78 135.00 127.86 1rrs s PRO 203 Ca 0.45 2.52 -0.09 0.00 0.04 0.00 0.00 61.00 63.92 1rrs s PRO 203 Cb -0.22 -3.01 0.10 0.00 0.04 0.00 0.00 34.50 31.40 1rrs s PRO 203 CO 0.94 -0.53 2.26 0.43 0.04 0.00 0.00 177.00 180.13 1rrs n SER 204 N 1.31 6.47 -0.17 6.66 7.64 -1.05 -4.72 113.62 129.76 1rrs n SER 204 Ca 0.04 -3.01 0.06 0.00 1.01 0.00 0.00 58.87 56.97 1rrs n SER 204 Cb 0.39 -1.47 0.35 0.00 -1.01 0.00 0.00 64.21 62.46 1rrs n SER 204 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rrs h LEU 206 N 0.76 0.78 0.00 0.00 3.38 -2.01 -2.44 115.31 115.78 1rrs h LEU 206 Ca 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rrs h LEU 206 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rrs h LEU 206 CO -0.09 0.55 -0.83 0.18 0.09 0.00 0.00 178.44 178.34 1rrs n LEU 207 N -4.44 0.63 -4.74 1.67 4.77 -0.81 -4.96 117.00 109.12 1rrs n LEU 207 Ca 0.08 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1rrs n LEU 207 Cb 0.08 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1rrs n LEU 207 CO 0.35 0.04 1.18 0.00 -1.33 0.00 0.00 177.39 177.64 1rrs n PRO 209 N 1.85 0.92 -0.78 0.00 -0.04 -1.26 -3.48 135.00 132.22 1rrs n PRO 209 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1rrs n PRO 209 Cb 0.36 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1rrs n PRO 209 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1rrs n VAL 210 N -0.79 0.36 -0.33 0.52 0.24 -1.26 -4.62 118.33 112.45 1rrs n VAL 210 Ca 0.13 -0.80 -0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1rrs n VAL 210 Cb 0.06 0.53 0.13 0.00 -1.47 0.00 0.00 33.84 33.09 1rrs n VAL 210 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1rrs h GLN 211 N 0.39 1.05 -1.01 7.34 4.15 -1.85 -1.83 115.11 123.35 1rrs h GLN 211 Ca -0.07 -0.06 0.28 0.00 0.77 0.00 0.00 58.65 59.56 1rrs h GLN 211 Cb 1.49 -0.24 -0.13 0.00 0.21 0.00 0.00 27.48 28.81 1rrs h GLN 211 CO 0.03 0.69 0.60 0.00 -1.93 0.00 0.00 178.83 178.22 1rrs h ALA 212 N 1.39 1.90 -0.01 3.38 0.00 -1.87 0.29 119.26 124.33 1rrs h ALA 212 Ca 0.37 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1rrs h ALA 212 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rrs h ALA 212 CO -0.14 -0.42 -0.32 0.66 0.00 0.00 0.00 179.25 179.03 1rrs n TYR 213 N -4.92 0.00 -2.79 0.00 4.02 -0.71 -4.92 117.16 107.82 1rrs n TYR 213 Ca 0.29 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.75 1rrs n TYR 213 Cb 0.85 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 40.07 1rrs n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rrs h GLN 215 N 8.67 0.72 -0.59 0.00 4.20 -1.39 -2.43 115.11 124.29 1rrs h GLN 215 Ca -0.23 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1rrs h GLN 215 Cb 1.08 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1rrs h GLN 215 CO 1.00 0.89 0.26 0.00 -0.67 0.00 0.00 178.83 180.31 1rrs h ALA 216 N 1.11 1.35 0.03 3.87 0.00 -1.62 -0.30 119.26 123.70 1rrs h ALA 216 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rrs h ALA 216 Cb 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rrs h ALA 216 CO 0.06 0.50 -0.01 0.35 0.00 0.00 0.00 179.25 180.14 1rrs h PHE 217 N 0.84 -0.03 -0.99 0.00 3.57 -1.78 0.25 116.94 118.80 1rrs h PHE 217 Ca 0.20 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.86 1rrs h PHE 217 Cb 0.13 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 1rrs h PHE 217 CO 0.01 0.31 0.62 0.00 -2.23 0.00 0.00 178.31 177.01 1rrs h ALA 218 N 0.59 1.67 0.00 2.41 0.00 -1.02 -0.92 119.26 121.98 1rrs h ALA 218 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rrs h ALA 218 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rrs h ALA 218 CO 0.01 0.02 -0.46 0.39 0.00 0.00 0.00 179.25 179.21 1rrs n GLU 219 N -4.67 0.21 -1.73 0.00 4.71 -0.16 -4.96 120.64 114.03 1rrs n GLU 219 Ca 0.21 0.08 -0.03 0.00 -0.01 0.00 0.00 57.16 57.41 1rrs n GLU 219 Cb 0.49 -1.65 -0.01 0.00 -1.01 0.00 0.00 31.44 29.26 1rrs n GLU 219 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rrs n GLY 220 N 1.38 0.37 0.32 0.62 0.00 0.68 -4.95 105.19 103.61 1rrs n GLY 220 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.29 1rrs n GLY 220 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rrs n VAL 221 N -3.63 1.00 -0.30 1.61 0.24 -0.02 -4.79 118.33 112.44 1rrs n VAL 221 Ca -0.04 -1.00 0.11 0.00 -2.04 0.00 0.00 64.34 61.37 1rrs n VAL 221 Cb 0.39 0.50 0.25 0.00 -1.47 0.00 0.00 33.84 33.50 1rrs n VAL 221 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rrs h ALA 222 N 1.02 1.06 0.00 2.33 0.00 -1.90 0.16 119.26 121.94 1rrs h ALA 222 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1rrs h ALA 222 Cb 0.62 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rrs h ALA 222 CO 0.00 -0.50 0.00 0.93 0.00 0.00 0.00 179.25 179.68 1rrs h GLU 223 N 0.09 0.00 0.00 0.00 3.07 -1.90 -2.80 114.58 113.03 1rrs h GLU 223 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1rrs h GLU 223 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1rrs h GLU 223 CO -0.78 0.00 -0.50 0.39 -1.40 0.00 0.00 179.01 176.73 1rrs n GLU 224 N -2.44 0.10 -4.04 2.33 -0.58 0.57 -4.87 120.64 111.71 1rrs n GLU 224 Ca 0.02 0.03 -0.28 0.00 -0.42 0.00 0.00 57.16 56.51 1rrs n GLU 224 Cb 0.26 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1rrs n GLU 224 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rrs s LEU 225 N -3.42 3.92 0.72 -4.62 1.43 -1.06 -4.48 118.68 111.17 1rrs s LEU 225 Ca 0.10 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1rrs s LEU 225 Cb 0.16 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.91 1rrs s LEU 225 CO 0.69 0.11 1.02 -2.16 0.23 0.00 0.00 176.35 176.24 1rrs s PRO 226 N -2.83 2.01 0.01 1.29 0.04 -1.26 -4.99 135.00 129.27 1rrs s PRO 226 Ca 0.31 -0.42 -0.19 0.00 0.04 0.00 0.00 61.00 60.74 1rrs s PRO 226 Cb -0.11 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1rrs s PRO 226 CO 0.24 -1.33 0.54 0.08 0.04 0.00 0.00 177.00 176.57 1rrs s VAL 227 N -3.25 4.91 -0.10 -0.36 1.01 -1.26 -5.02 120.40 116.32 1rrs s VAL 227 Ca 0.62 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1rrs s VAL 227 Cb -0.09 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.49 1rrs s VAL 227 CO 0.45 0.48 0.73 -0.54 0.00 0.00 0.00 175.10 176.21 1rrs s LYS 228 N -0.53 0.97 0.00 2.72 3.01 -1.26 -1.85 119.74 122.79 1rrs s LYS 228 Ca 0.28 0.38 0.00 0.00 -1.01 0.00 0.00 55.97 55.62 1rrs s LYS 228 Cb -0.18 0.46 0.00 0.00 -1.01 0.00 0.00 37.83 37.10 1rrs s LYS 228 CO 0.16 -0.27 0.00 -1.33 0.51 0.00 0.00 175.35 174.42 1rrs n MET 229 N 1.21 0.05 -3.64 1.68 2.81 -1.26 -5.08 117.12 112.90 1rrs n MET 229 Ca -0.17 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.62 1rrs n MET 229 Cb 0.57 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.05 1rrs n MET 229 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1rrs s LYS 230 N -0.96 1.43 0.36 0.03 -0.14 -1.26 -5.15 119.74 114.05 1rrs s LYS 230 Ca 0.00 -0.73 -0.13 0.00 -1.36 0.00 0.00 55.97 53.75 1rrs s LYS 230 Cb 0.00 0.57 0.04 0.00 -1.68 0.00 0.00 37.83 36.75 1rrs s LYS 230 CO 0.00 -0.63 0.69 0.14 -0.76 0.00 0.00 175.35 174.79 1rrs s VAL 234 N -3.83 0.00 0.12 3.17 -7.23 -1.26 -5.30 120.40 106.07 1rrs s VAL 234 Ca 0.06 -1.16 -0.31 0.00 -1.81 0.00 0.00 61.98 58.76 1rrs s VAL 234 Cb -0.02 -2.68 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 1rrs s VAL 234 CO -0.05 0.00 1.36 -0.75 -0.31 0.00 0.00 175.10 175.35 1rrs s LYS 235 N -2.77 4.34 -0.03 4.82 2.20 -1.23 -4.85 119.74 122.22 1rrs s LYS 235 Ca 0.19 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 57.67 1rrs s LYS 235 Cb -0.04 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1rrs s LYS 235 CO 0.13 -0.39 0.45 -0.65 -0.36 0.00 0.00 175.35 174.53 1rrs s GLN 236 N 0.90 4.12 -0.16 4.03 -1.52 -1.26 -1.01 119.66 124.76 1rrs s GLN 236 Ca 0.63 0.47 -0.03 0.00 -1.95 0.00 0.00 55.36 54.48 1rrs s GLN 236 Cb -0.36 -3.30 0.05 0.00 -0.22 0.00 0.00 33.01 29.18 1rrs s GLN 236 CO 0.31 0.48 0.03 0.08 -0.25 0.00 0.00 175.29 175.95 1rrs s VAL 237 N -0.45 0.44 0.08 1.09 1.01 0.24 -4.90 120.40 117.90 1rrs s VAL 237 Ca 0.25 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1rrs s VAL 237 Cb -0.16 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 1rrs s VAL 237 CO 0.13 -0.09 1.28 -2.84 0.00 0.00 0.00 175.10 173.58 1rrs s PRO 238 N 1.91 4.38 -0.08 2.72 0.02 -1.26 -0.42 135.00 142.27 1rrs s PRO 238 Ca 0.01 1.90 0.01 0.00 0.02 0.00 0.00 61.00 62.94 1rrs s PRO 238 Cb -0.16 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.07 1rrs s PRO 238 CO -0.07 -0.34 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.00 1rrs s LEU 239 N 1.13 1.31 -0.24 -5.54 2.96 0.44 -3.43 118.68 115.32 1rrs s LEU 239 Ca 0.61 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.16 1rrs s LEU 239 Cb -0.33 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 1rrs s LEU 239 CO 0.29 -0.06 0.17 0.00 -1.32 0.00 0.00 176.35 175.43 1rrs s ALA 240 N 1.25 3.61 -0.04 5.97 0.00 -1.02 -0.69 121.76 130.84 1rrs s ALA 240 Ca -0.04 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.12 1rrs s ALA 240 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1rrs s ALA 240 CO -0.03 -0.17 -0.24 0.08 0.00 0.00 0.00 175.76 175.40 1rrs s VAL 241 N 1.01 2.16 -0.17 0.00 1.01 0.43 -2.14 120.40 122.71 1rrs s VAL 241 Ca 0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1rrs s VAL 241 Cb -0.13 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1rrs s VAL 241 CO 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.59 1rrs s ALA 242 N -0.45 2.59 -0.64 5.51 0.00 -0.24 0.18 121.76 128.71 1rrs s ALA 242 Ca 0.05 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1rrs s ALA 242 Cb -0.11 -1.33 0.16 0.00 0.00 0.00 0.00 23.12 21.84 1rrs s ALA 242 CO 0.01 -0.08 0.53 0.08 0.00 0.00 0.00 175.76 176.30 1rrs s VAL 243 N 0.89 4.70 -0.18 0.00 1.01 -1.03 -3.96 120.40 121.82 1rrs s VAL 243 Ca -0.03 -2.25 -0.20 0.00 0.00 0.00 0.00 61.98 59.50 1rrs s VAL 243 Cb -0.15 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1rrs s VAL 243 CO -0.01 -0.90 0.57 -0.76 0.00 0.00 0.00 175.10 174.01 1rrs s LEU 244 N 0.66 4.17 -0.03 3.92 2.01 -1.26 -2.78 118.68 125.38 1rrs s LEU 244 Ca 0.12 0.79 0.06 0.00 0.01 0.00 0.00 54.13 55.11 1rrs s LEU 244 Cb -0.20 -2.81 -0.02 0.00 0.01 0.00 0.00 46.19 43.17 1rrs s LEU 244 CO -0.04 -0.19 -0.19 0.00 1.01 0.00 0.00 176.35 176.94 1rrs s ALA 245 N 1.56 2.48 1.14 4.21 0.00 -0.87 -1.36 121.76 128.93 1rrs s ALA 245 Ca 0.27 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1rrs s ALA 245 Cb -0.16 -0.79 0.25 0.00 0.00 0.00 0.00 23.12 22.42 1rrs s ALA 245 CO 0.11 0.55 1.06 -0.25 0.00 0.00 0.00 175.76 177.22 1rrs n ASP 246 N 2.25 -1.23 -3.89 0.00 10.43 0.17 -1.61 116.55 122.66 1rrs n ASP 246 Ca -0.17 -1.22 -0.39 0.00 2.57 0.00 0.00 54.79 55.59 1rrs n ASP 246 Cb 0.52 -0.90 -0.07 0.00 1.84 0.00 0.00 41.12 42.51 1rrs n ASP 246 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1rrs n ASP 247 N -4.35 2.45 -1.60 -2.24 5.68 -1.26 -3.90 116.55 111.32 1rrs n ASP 247 Ca 0.14 -2.66 -0.00 0.00 -0.50 0.00 0.00 54.79 51.77 1rrs n ASP 247 Cb 0.52 -1.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1rrs n ASP 247 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1rrs n GLU 248 N 7.49 -0.23 0.00 0.11 0.00 -1.26 -5.01 120.64 121.74 1rrs n GLU 248 Ca 0.48 0.66 0.00 0.00 0.00 0.00 0.00 57.16 58.29 1rrs n GLU 248 Cb 0.42 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.26 1rrs n GLU 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rrs n GLY 249 N -0.23 0.19 3.24 -1.84 0.00 -1.25 -5.13 105.19 100.17 1rrs n GLY 249 Ca 0.01 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1rrs n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrs n ARG 250 N 0.00 0.03 -4.28 1.61 1.74 -1.26 -4.26 116.66 110.24 1rrs n ARG 250 Ca 0.00 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.91 1rrs n ARG 250 Cb 0.00 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 1rrs n ARG 250 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rrs s VAL 251 N -1.98 1.48 -0.12 1.55 -7.23 0.14 0.42 120.40 114.66 1rrs s VAL 251 Ca 0.56 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.67 1rrs s VAL 251 Cb -0.47 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1rrs s VAL 251 CO 0.67 -0.49 0.35 -0.22 -0.31 0.00 0.00 175.10 175.10 1rrs s LEU 252 N -2.79 4.29 0.24 1.32 2.96 -0.46 -1.05 118.68 123.19 1rrs s LEU 252 Ca 0.14 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1rrs s LEU 252 Cb -0.03 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1rrs s LEU 252 CO 0.04 0.12 0.14 0.27 -1.32 0.00 0.00 176.35 175.60 1rrs s ILE 253 N 0.23 0.16 0.01 6.68 -4.36 -1.17 -4.31 121.20 118.44 1rrs s ILE 253 Ca 0.20 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 1rrs s ILE 253 Cb -0.14 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.06 1rrs s ILE 253 CO 0.07 0.00 0.32 0.00 0.24 0.00 0.00 174.94 175.57 1rrs s ARG 254 N -4.04 0.75 -0.28 0.37 1.70 -0.73 -1.21 118.95 115.51 1rrs s ARG 254 Ca 0.38 -0.31 -0.19 0.00 -0.47 0.00 0.00 55.73 55.14 1rrs s ARG 254 Cb 0.07 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.76 1rrs s ARG 254 CO 0.14 -0.22 0.59 0.21 -1.08 0.00 0.00 175.30 174.94 1rrs s LYS 255 N -1.87 3.98 0.95 3.89 2.36 -1.18 -1.62 119.74 126.25 1rrs s LYS 255 Ca -0.10 0.33 -0.11 0.00 -2.55 0.00 0.00 55.97 53.54 1rrs s LYS 255 Cb -0.03 -3.69 0.11 0.00 -1.05 0.00 0.00 37.83 33.17 1rrs s LYS 255 CO 0.01 -0.47 0.83 0.54 1.55 0.00 0.00 175.35 177.80 1rrs n ARG 256 N 5.73 -0.50 -1.51 4.03 1.74 0.43 -4.89 116.66 121.69 1rrs n ARG 256 Ca -0.02 -0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.60 1rrs n ARG 256 Cb 0.49 -2.15 0.07 0.00 -1.02 0.00 0.00 32.46 29.85 1rrs n ARG 256 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rrs n ASP 257 N -3.08 0.50 0.00 0.55 2.03 -1.26 -3.37 116.55 111.92 1rrs n ASP 257 Ca 0.09 0.74 0.13 0.00 0.52 0.00 0.00 54.79 56.27 1rrs n ASP 257 Cb 0.53 -1.38 0.75 0.00 -0.72 0.00 0.00 41.12 40.30 1rrs n ASP 257 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1rrs n SER 258 N -1.06 0.00 -3.93 1.67 2.88 -1.26 -1.02 113.62 110.90 1rrs n SER 258 Ca 0.13 -0.93 -0.15 0.00 -1.33 0.00 0.00 58.87 56.60 1rrs n SER 258 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 1rrs n SER 258 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1rrs s THR 259 N -2.00 0.30 0.00 2.46 -4.23 -1.26 -4.67 115.64 106.23 1rrs s THR 259 Ca 0.38 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1rrs s THR 259 Cb 0.17 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.76 1rrs s THR 259 CO 0.29 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1rrs n GLY 260 N 3.01 -0.79 3.68 3.99 0.00 -1.26 -4.82 105.19 109.00 1rrs n GLY 260 Ca -0.13 -1.85 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 1rrs n GLY 260 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rrs n LEU 261 N 0.00 3.30 -4.21 0.99 7.94 -1.26 -2.73 117.00 121.03 1rrs n LEU 261 Ca 0.00 1.17 -0.35 0.00 -1.11 0.00 0.00 56.01 55.71 1rrs n LEU 261 Cb 0.00 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.42 1rrs n LEU 261 CO 0.00 -0.47 -0.23 0.18 -1.11 0.00 0.00 177.39 175.76 1rrs n LEU 262 N 1.66 -0.78 -4.60 -1.96 4.77 -1.26 -4.76 117.00 110.07 1rrs n LEU 262 Ca 0.09 -1.13 -0.51 0.00 -0.03 0.00 0.00 56.01 54.43 1rrs n LEU 262 Cb 0.33 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 1rrs n LEU 262 CO 0.62 0.19 0.91 0.00 -1.33 0.00 0.00 177.39 177.78 1rrs n ALA 263 N -3.85 -0.77 -0.89 -1.18 0.00 -1.11 -2.17 120.51 110.55 1rrs n ALA 263 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1rrs n ALA 263 Cb 0.47 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1rrs n ALA 263 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rrs n ASN 264 N 2.56 -2.98 -4.90 0.00 3.02 -0.19 -4.93 115.26 107.84 1rrs n ASN 264 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1rrs n ASN 264 Cb 0.20 -1.99 -0.03 0.00 -0.61 0.00 0.00 39.78 37.35 1rrs n ASN 264 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rrs s LEU 265 N 0.00 3.98 0.47 3.41 1.02 -0.92 -4.65 118.68 121.99 1rrs s LEU 265 Ca 0.00 0.78 -0.08 0.00 0.02 0.00 0.00 54.13 54.85 1rrs s LEU 265 Cb 0.00 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.54 1rrs s LEU 265 CO 0.00 -0.27 0.81 0.26 0.02 0.00 0.00 176.35 177.17 1rrs s TRP 266 N -2.21 3.53 0.15 0.29 0.52 -0.29 -0.43 118.94 120.50 1rrs s TRP 266 Ca 0.45 0.97 -0.25 0.00 0.02 0.00 0.00 56.10 57.30 1rrs s TRP 266 Cb -0.10 -2.42 0.06 0.00 -1.15 0.00 0.00 33.47 29.86 1rrs s TRP 266 CO 0.32 -0.26 0.83 -1.83 0.02 0.00 0.00 176.95 176.03 1rrs s GLU 267 N -4.44 1.27 0.07 4.98 -1.05 -0.64 -4.12 118.70 114.77 1rrs s GLU 267 Ca 0.50 -0.63 -0.26 0.00 -0.15 0.00 0.00 54.97 54.43 1rrs s GLU 267 Cb -0.10 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.01 1rrs s GLU 267 CO 0.40 -0.57 0.81 -0.06 0.95 0.00 0.00 175.26 176.79 1rrs s PHE 268 N -3.47 3.77 0.04 4.83 2.99 -1.26 -1.77 117.98 123.11 1rrs s PHE 268 Ca 0.09 1.56 -0.38 0.00 0.00 0.00 0.00 56.93 58.19 1rrs s PHE 268 Cb -0.02 -2.87 -0.18 0.00 0.00 0.00 0.00 43.02 39.95 1rrs s PHE 268 CO -0.01 0.28 1.18 -2.30 -0.00 0.00 0.00 175.22 174.37 1rrs n PRO 269 N 2.67 0.52 -4.03 0.24 -0.02 -1.25 -4.67 135.00 128.47 1rrs n PRO 269 Ca -0.02 0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 1rrs n PRO 269 Cb 0.50 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 1rrs n PRO 269 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rrs s SER 270 N 0.20 0.48 -0.04 2.55 1.04 -1.26 -1.08 113.70 115.58 1rrs s SER 270 Ca 0.87 -1.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1rrs s SER 270 Cb -1.12 0.66 0.04 0.00 0.10 0.00 0.00 66.02 65.69 1rrs s SER 270 CO 0.52 -1.29 0.41 0.00 0.98 0.00 0.00 173.24 173.87 1rrs s GLU 272 N -1.12 3.67 0.48 0.00 8.01 -1.26 -2.45 118.70 126.03 1rrs s GLU 272 Ca -0.11 -1.95 0.24 0.00 0.01 0.00 0.00 54.97 53.16 1rrs s GLU 272 Cb -0.04 -4.89 1.28 0.00 -4.31 0.00 0.00 34.13 26.17 1rrs s GLU 272 CO 0.05 -1.72 1.88 1.79 0.01 0.00 0.00 175.26 177.28 1rrs h THR 273 N 5.57 0.63 -1.63 3.63 1.35 -1.95 -3.44 112.91 117.07 1rrs h THR 273 Ca 0.17 -0.07 -0.25 0.00 -0.55 0.00 0.00 66.41 65.71 1rrs h THR 273 Cb 1.01 0.42 -0.09 0.00 -1.73 0.00 0.00 68.15 67.75 1rrs h THR 273 CO 1.09 0.04 -0.24 -0.90 -0.25 0.00 0.00 175.52 175.26 1rrs n ASP 274 N -4.40 -3.30 0.00 5.36 5.75 -1.26 -4.48 116.55 114.22 1rrs n ASP 274 Ca 0.18 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 1rrs n ASP 274 Cb 0.79 -3.09 0.00 0.00 -1.03 0.00 0.00 41.12 37.79 1rrs n ASP 274 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rrs n GLY 275 N -0.28 0.38 1.17 6.12 0.00 -1.26 -5.04 105.19 106.27 1rrs n GLY 275 Ca -0.13 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.30 1rrs n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrs n ALA 276 N -3.00 3.30 0.01 4.61 0.00 -1.26 -4.87 120.51 119.30 1rrs n ALA 276 Ca 0.00 -3.01 -0.13 0.00 0.00 0.00 0.00 53.44 50.30 1rrs n ALA 276 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 1rrs n ALA 276 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1rrs h ASP 277 N 1.21 -1.39 0.00 0.00 -0.00 -1.97 -3.47 116.42 110.80 1rrs h ASP 277 Ca -0.05 0.18 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1rrs h ASP 277 Cb 1.36 0.56 0.00 0.00 -0.00 0.00 0.00 39.33 41.25 1rrs h ASP 277 CO 0.12 -0.45 0.00 0.61 -0.00 0.00 0.00 179.24 179.52 1rrs n GLY 278 N -1.44 0.10 0.29 7.15 0.00 -1.26 -3.66 105.19 106.36 1rrs n GLY 278 Ca -0.05 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.10 1rrs n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrs h LYS 279 N 0.00 0.00 -0.14 1.61 1.79 -1.96 -1.68 116.57 116.20 1rrs h LYS 279 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1rrs h LYS 279 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1rrs h LYS 279 CO 0.00 0.00 0.03 1.05 -1.08 0.00 0.00 179.45 179.46 1rrs h GLU 280 N 0.00 0.22 -0.42 3.15 -0.00 -1.96 0.19 114.58 115.76 1rrs h GLU 280 Ca -0.00 -0.05 0.08 0.00 -0.00 0.00 0.00 59.36 59.38 1rrs h GLU 280 Cb 0.01 -0.03 -0.07 0.00 -0.00 0.00 0.00 28.75 28.67 1rrs h GLU 280 CO 0.00 0.39 0.00 0.87 -0.00 0.00 0.00 179.01 180.27 1rrs h LYS 281 N 0.02 0.11 -0.06 1.06 1.57 -1.46 -0.33 116.57 117.47 1rrs h LYS 281 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1rrs h LYS 281 Cb 0.27 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1rrs h LYS 281 CO 0.00 0.07 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.81 1rrs h LEU 282 N 0.11 0.18 -1.88 2.94 4.07 -1.42 -2.08 115.31 117.23 1rrs h LEU 282 Ca 0.21 -0.51 0.14 0.00 0.08 0.00 0.00 57.88 57.80 1rrs h LEU 282 Cb 0.30 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1rrs h LEU 282 CO -0.35 0.65 0.38 -0.33 -1.08 0.00 0.00 178.44 177.71 1rrs h GLU 283 N -0.29 0.12 0.34 1.13 5.08 -0.43 -2.53 114.58 118.00 1rrs h GLU 283 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1rrs h GLU 283 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1rrs h GLU 283 CO 0.02 0.08 -0.16 0.37 -1.00 0.00 0.00 179.01 178.32 1rrs h GLN 284 N 0.13 -0.43 -0.95 2.33 5.75 -0.95 -3.25 115.11 117.73 1rrs h GLN 284 Ca 0.26 0.03 0.28 0.00 -0.15 0.00 0.00 58.65 59.07 1rrs h GLN 284 Cb 0.87 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 1rrs h GLN 284 CO -0.03 -0.20 1.07 1.98 -2.65 0.00 0.00 178.83 179.00 1rrs h MET 285 N -1.07 0.00 -1.00 1.69 1.85 -0.94 0.97 114.93 116.43 1rrs h MET 285 Ca -0.05 0.00 0.19 0.00 -0.61 0.00 0.00 59.70 59.24 1rrs h MET 285 Cb 0.43 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.36 1rrs h MET 285 CO 0.08 0.00 0.61 0.28 -0.40 0.00 0.00 176.91 177.48 1rrs h VAL 286 N 0.00 0.70 -3.34 -5.77 2.07 -1.56 -3.52 116.25 104.84 1rrs h VAL 286 Ca 0.45 -0.25 -0.56 0.00 0.82 0.00 0.00 66.70 67.16 1rrs h VAL 286 Cb 2.59 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 1rrs h VAL 286 CO -0.00 0.13 1.02 -0.83 0.02 0.00 0.00 177.57 177.91 1rrs s GLY 287 N -3.75 1.13 -0.40 2.17 0.00 0.33 -4.92 107.32 101.88 1rrs s GLY 287 Ca -0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 1rrs s GLY 287 CO 0.80 2.63 0.35 -0.10 0.00 0.00 0.00 173.10 176.78 1rrs n LEU 292 N 8.61 -1.12 0.00 0.66 0.00 -1.26 -5.20 117.00 118.68 1rrs n LEU 292 Ca 0.13 -0.41 -0.13 0.00 0.00 0.00 0.00 56.01 55.60 1rrs n LEU 292 Cb 0.49 -0.90 0.10 0.00 0.00 0.00 0.00 43.42 43.11 1rrs n LEU 292 CO 0.71 0.16 0.37 0.00 0.00 0.00 0.00 177.39 178.63 1rrs n GLN 293 N -1.20 -0.87 -3.90 1.96 1.13 -1.26 -4.86 117.38 108.37 1rrs n GLN 293 Ca -0.14 -0.89 0.04 0.00 -1.94 0.00 0.00 57.00 54.07 1rrs n GLN 293 Cb 0.39 -0.64 0.01 0.00 0.11 0.00 0.00 30.24 30.11 1rrs n GLN 293 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1rrs s VAL 294 N -2.21 0.00 0.02 5.09 -7.23 -1.26 -4.05 120.40 110.75 1rrs s VAL 294 Ca 0.33 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 1rrs s VAL 294 Cb -0.01 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 1rrs s VAL 294 CO 0.24 0.00 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.38 1rrs s GLU 295 N -2.03 0.29 0.07 4.82 0.41 -1.26 -4.93 118.70 116.08 1rrs s GLU 295 Ca 0.27 -0.43 0.03 0.00 -0.41 0.00 0.00 54.97 54.43 1rrs s GLU 295 Cb 0.02 -0.07 -0.04 0.00 -1.78 0.00 0.00 34.13 32.26 1rrs s GLU 295 CO -0.04 0.01 0.06 -0.51 -0.49 0.00 0.00 175.26 174.29 1rrs s LEU 296 N -0.94 3.71 0.00 1.80 1.43 -1.26 -3.92 118.68 119.51 1rrs s LEU 296 Ca -0.08 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rrs s LEU 296 Cb -0.06 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1rrs s LEU 296 CO -0.00 0.19 0.00 0.35 0.23 0.00 0.00 176.35 177.11 1rrs n THR 297 N 0.59 0.00 -1.83 5.49 -2.24 -0.84 -5.02 114.28 110.44 1rrs n THR 297 Ca -0.10 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 1rrs n THR 297 Cb 0.52 -1.39 0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1rrs n THR 297 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rrs s GLU 298 N -1.98 2.76 0.99 -0.78 -6.30 -1.26 -4.54 118.70 107.59 1rrs s GLU 298 Ca 0.00 1.66 -0.17 0.00 -2.50 0.00 0.00 54.97 53.96 1rrs s GLU 298 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 34.13 32.15 1rrs s GLU 298 CO 0.00 -1.33 -0.33 -2.30 0.02 0.00 0.00 175.26 171.32 1rrs n PRO 299 N -2.07 -0.27 -0.04 4.30 -0.02 -1.26 -4.20 135.00 131.43 1rrs n PRO 299 Ca 0.12 -0.06 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 1rrs n PRO 299 Cb 0.51 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.52 1rrs n PRO 299 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1rrs n ILE 300 N -3.21 0.53 0.00 4.25 -6.64 0.15 -4.86 119.36 109.58 1rrs n ILE 300 Ca 0.02 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 60.69 1rrs n ILE 300 Cb 0.58 -0.81 0.00 0.00 -1.44 0.00 0.00 39.64 37.97 1rrs n ILE 300 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 1rrs n VAL 301 N -2.37 0.00 -4.43 7.28 3.14 -1.25 -5.01 118.33 115.69 1rrs n VAL 301 Ca -0.13 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.02 1rrs n VAL 301 Cb 0.74 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.35 1rrs n VAL 301 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1rrs s SER 302 N 0.00 1.44 0.23 6.55 0.01 -1.26 -1.37 113.70 119.30 1rrs s SER 302 Ca 0.00 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 1rrs s SER 302 Cb 0.00 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1rrs s SER 302 CO 0.00 0.00 0.30 0.72 0.41 0.00 0.00 173.24 174.68 1rrs s PHE 303 N 0.73 0.78 0.14 2.43 -0.71 -0.38 -4.97 117.98 116.00 1rrs s PHE 303 Ca -0.13 -1.07 0.05 0.00 -1.04 0.00 0.00 56.93 54.74 1rrs s PHE 303 Cb -0.15 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1rrs s PHE 303 CO 0.02 -0.82 0.07 -1.21 -1.34 0.00 0.00 175.22 171.95 1rrs s GLU 304 N -4.07 2.74 -0.10 1.99 2.02 -1.26 0.77 118.70 120.79 1rrs s GLU 304 Ca 0.31 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1rrs s GLU 304 Cb 0.03 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.73 1rrs s GLU 304 CO 0.11 0.51 0.19 -1.58 0.02 0.00 0.00 175.26 174.50 1rrs s HIS 305 N -1.59 -0.24 0.07 1.61 2.46 0.78 -4.95 115.29 113.43 1rrs s HIS 305 Ca 0.29 0.66 -0.07 0.00 0.47 0.00 0.00 55.06 56.41 1rrs s HIS 305 Cb -0.11 -0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.07 1rrs s HIS 305 CO 0.21 -0.31 0.34 0.00 -2.47 0.00 0.00 174.74 172.51 1rrs s ALA 306 N 2.32 3.80 0.44 1.58 0.00 -1.26 0.27 121.76 128.91 1rrs s ALA 306 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1rrs s ALA 306 Cb -0.12 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1rrs s ALA 306 CO -0.07 0.64 0.01 1.19 0.00 0.00 0.00 175.76 177.53 1rrs n PHE 307 N 0.75 0.94 -0.02 0.00 3.01 0.10 -4.98 117.46 117.26 1rrs n PHE 307 Ca -0.08 -2.14 -0.10 0.00 1.01 0.00 0.00 57.45 56.14 1rrs n PHE 307 Cb 0.52 -0.29 0.04 0.00 -0.01 0.00 0.00 39.48 39.74 1rrs n PHE 307 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1rrs h SER 308 N 1.03 0.69 -0.19 4.37 0.02 -2.03 -3.33 113.55 114.11 1rrs h SER 308 Ca -0.36 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1rrs h SER 308 Cb 1.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1rrs h SER 308 CO 0.60 1.09 0.00 0.00 -1.14 0.00 0.00 176.83 177.37 1rrs n HIS 309 N -3.98 0.28 -3.62 3.45 1.44 -1.26 -4.96 115.22 106.58 1rrs n HIS 309 Ca -0.03 -0.53 -0.04 0.00 -2.01 0.00 0.00 57.72 55.11 1rrs n HIS 309 Cb 0.60 -0.05 -0.01 0.00 0.12 0.00 0.00 29.99 30.64 1rrs n HIS 309 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1rrs s LEU 310 N -1.15 -0.19 -0.07 2.39 0.05 -1.25 -3.55 118.68 114.91 1rrs s LEU 310 Ca 0.15 -0.14 0.02 0.00 0.05 0.00 0.00 54.13 54.21 1rrs s LEU 310 Cb 0.09 1.77 0.02 0.00 -2.05 0.00 0.00 46.19 46.01 1rrs s LEU 310 CO 0.09 -0.53 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.55 1rrs s VAL 311 N -2.85 1.07 -0.22 1.48 1.01 -0.18 0.00 120.40 120.72 1rrs s VAL 311 Ca 0.10 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1rrs s VAL 311 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1rrs s VAL 311 CO -0.04 0.35 0.41 0.26 0.00 0.00 0.00 175.10 176.08 1rrs s TRP 312 N 0.79 3.34 -0.72 5.22 0.51 0.14 0.79 118.94 129.01 1rrs s TRP 312 Ca -0.12 0.59 -0.12 0.00 -2.12 0.00 0.00 56.10 54.33 1rrs s TRP 312 Cb -0.15 -2.56 0.19 0.00 -0.81 0.00 0.00 33.47 30.14 1rrs s TRP 312 CO 0.02 -0.08 0.64 -0.65 -0.51 0.00 0.00 176.95 176.37 1rrs s GLN 313 N 1.55 3.24 0.44 4.98 -0.21 0.44 -0.15 119.66 129.94 1rrs s GLN 313 Ca 0.19 -2.33 -0.21 0.00 0.02 0.00 0.00 55.36 53.03 1rrs s GLN 313 Cb -0.15 -4.24 -0.11 0.00 1.00 0.00 0.00 33.01 29.52 1rrs s GLN 313 CO 0.08 -1.27 0.95 -0.51 -2.12 0.00 0.00 175.29 172.43 1rrs s LEU 314 N 0.39 3.92 -0.16 2.90 1.02 0.23 -0.42 118.68 126.56 1rrs s LEU 314 Ca 0.15 1.69 -0.04 0.00 0.02 0.00 0.00 54.13 55.95 1rrs s LEU 314 Cb -0.16 -4.54 0.07 0.00 0.02 0.00 0.00 46.19 41.58 1rrs s LEU 314 CO -0.06 -0.39 0.16 -0.89 0.02 0.00 0.00 176.35 175.19 1rrs s THR 315 N -2.20 -0.22 -0.09 5.49 2.01 0.13 -1.25 115.64 119.51 1rrs s THR 315 Ca 0.62 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.39 1rrs s THR 315 Cb -0.09 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1rrs s THR 315 CO 0.14 -0.14 0.63 0.54 -0.69 0.00 0.00 174.62 175.11 1rrs s VAL 316 N 2.25 5.09 -0.24 3.82 0.11 -0.47 -0.42 120.40 130.53 1rrs s VAL 316 Ca 0.04 1.30 0.01 0.00 -2.93 0.00 0.00 61.98 60.40 1rrs s VAL 316 Cb -0.15 -3.97 0.04 0.00 -1.53 0.00 0.00 36.38 30.77 1rrs s VAL 316 CO -0.09 0.27 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.48 1rrs s PHE 317 N 0.78 3.10 0.88 1.54 0.08 0.13 0.33 117.98 124.82 1rrs s PHE 317 Ca 0.34 -1.92 -0.11 0.00 0.12 0.00 0.00 56.93 55.36 1rrs s PHE 317 Cb -0.17 -1.98 0.12 0.00 -0.57 0.00 0.00 43.02 40.43 1rrs s PHE 317 CO 0.16 -0.82 1.11 -2.14 -0.10 0.00 0.00 175.22 173.43 1rrs s PRO 318 N 1.22 1.32 -0.20 0.24 0.02 -1.26 -2.46 135.00 133.87 1rrs s PRO 318 Ca -0.03 1.26 -0.33 0.00 0.02 0.00 0.00 61.00 61.92 1rrs s PRO 318 Cb -0.17 -1.78 0.15 0.00 0.02 0.00 0.00 34.50 32.71 1rrs s PRO 318 CO -0.06 -2.33 1.19 0.20 -0.33 0.00 0.00 177.00 175.67 1rrs s GLY 319 N -3.01 -0.22 -0.11 0.52 0.00 -1.12 -1.98 107.32 101.40 1rrs s GLY 319 Ca 0.64 1.90 0.01 0.00 0.00 0.00 0.00 44.72 47.27 1rrs s GLY 319 CO 0.58 0.72 -0.14 0.50 0.00 0.00 0.00 173.10 174.76 1rrs s ARG 320 N -1.96 3.15 0.02 2.90 3.00 -1.25 -2.04 118.95 122.76 1rrs s ARG 320 Ca 0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 55.73 55.04 1rrs s ARG 320 Cb -0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 34.95 32.34 1rrs s ARG 320 CO -0.05 0.32 0.28 -1.17 0.00 0.00 0.00 175.30 174.68 1rrs s LEU 321 N 0.07 4.36 -0.17 2.53 2.96 -0.63 -4.35 118.68 123.46 1rrs s LEU 321 Ca -0.06 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1rrs s LEU 321 Cb -0.15 -2.73 0.05 0.00 0.50 0.00 0.00 46.19 43.86 1rrs s LEU 321 CO 0.04 0.24 -0.01 0.54 -1.32 0.00 0.00 176.35 175.84 1rrs s VAL 322 N -1.33 0.79 -0.16 1.68 0.11 -1.26 -4.46 120.40 115.78 1rrs s VAL 322 Ca 0.29 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.51 1rrs s VAL 322 Cb -0.13 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1rrs s VAL 322 CO 0.17 -0.01 1.68 -1.00 -3.33 0.00 0.00 175.10 172.61 1rrs s HIS 323 N 1.76 1.97 0.00 1.54 3.76 -1.26 -4.33 115.29 118.73 1rrs s HIS 323 Ca 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 1rrs s HIS 323 Cb -0.16 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.56 1rrs s HIS 323 CO -0.07 -3.38 0.53 0.41 -0.85 0.00 0.00 174.74 171.38 1rrs n GLY 324 N 4.58 0.01 3.92 -2.22 0.00 -1.26 -4.99 105.19 105.23 1rrs n GLY 324 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rrs n GLY 324 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rrs s GLY 325 N -0.27 -0.01 0.50 -0.02 0.00 -1.26 -4.48 107.32 101.77 1rrs s GLY 325 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 1rrs s GLY 325 CO 0.00 3.74 1.01 -4.14 0.00 0.00 0.00 173.10 173.70 1rrs s PRO 326 N -2.12 3.86 -0.57 2.90 0.02 -1.26 -4.86 135.00 132.97 1rrs s PRO 326 Ca 0.25 1.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.22 1rrs s PRO 326 Cb -0.01 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1rrs s PRO 326 CO 0.02 -0.36 0.87 0.14 -0.33 0.00 0.00 177.00 177.34 1rrs s VAL 327 N -2.27 4.49 0.00 3.83 -7.23 -1.26 -4.98 120.40 112.98 1rrs s VAL 327 Ca 0.63 -0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1rrs s VAL 327 Cb -0.13 -4.52 0.00 0.00 0.56 0.00 0.00 36.38 32.29 1rrs s VAL 327 CO 0.24 -1.13 0.00 -0.62 -0.31 0.00 0.00 175.10 173.28 1rrs n GLU 328 N 7.21 3.89 0.00 4.82 1.02 -1.26 -4.80 120.64 131.51 1rrs n GLU 328 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1rrs n GLU 328 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1rrs n GLU 328 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1rrs n GLU 329 N 0.00 0.00 0.08 3.49 0.28 -1.26 -2.03 120.64 121.21 1rrs n GLU 329 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1rrs n GLU 329 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1rrs n GLU 329 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1rrs h PRO 330 N 0.00 0.15 -6.85 3.44 0.11 -1.96 -3.47 132.00 123.41 1rrs h PRO 330 Ca 0.00 -0.19 -0.54 0.00 0.11 0.00 0.00 66.00 65.37 1rrs h PRO 330 Cb 0.00 0.06 0.20 0.00 0.11 0.00 0.00 31.00 31.37 1rrs h PRO 330 CO 0.00 1.00 -0.26 0.66 -0.21 0.00 0.00 178.00 179.19 1rrs n TYR 331 N -3.55 -0.48 -3.60 0.65 4.01 -0.86 -3.08 117.16 110.25 1rrs n TYR 331 Ca -0.03 0.32 -0.02 0.00 -0.16 0.00 0.00 57.90 58.00 1rrs n TYR 331 Cb 0.88 -1.92 -0.05 0.00 -0.31 0.00 0.00 39.34 37.94 1rrs n TYR 331 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1rrs s ARG 332 N -3.46 0.53 0.19 -0.72 3.52 -0.35 -4.46 118.95 114.20 1rrs s ARG 332 Ca 0.64 1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 57.06 1rrs s ARG 332 Cb -0.28 0.44 -0.08 0.00 -1.56 0.00 0.00 34.95 33.47 1rrs s ARG 332 CO 0.60 -0.15 1.17 -1.17 -0.81 0.00 0.00 175.30 174.94 1rrs s LEU 333 N 2.18 4.46 -0.04 -0.88 2.96 -1.26 -3.05 118.68 123.05 1rrs s LEU 333 Ca -0.07 2.21 -0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1rrs s LEU 333 Cb -0.07 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.03 1rrs s LEU 333 CO -0.18 -0.32 -0.01 0.00 -1.32 0.00 0.00 176.35 174.52 1rrs s ALA 334 N -0.18 0.48 0.55 5.97 0.00 -0.22 -4.95 121.76 123.41 1rrs s ALA 334 Ca 0.51 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 1rrs s ALA 334 Cb -0.32 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1rrs s ALA 334 CO 0.37 -0.18 1.23 -2.14 0.00 0.00 0.00 175.76 175.04 1rrs s PRO 335 N 1.29 3.21 0.15 0.00 0.02 -1.26 0.26 135.00 138.67 1rrs s PRO 335 Ca -0.06 1.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 1rrs s PRO 335 Cb -0.13 -2.13 0.04 0.00 0.02 0.00 0.00 34.50 32.30 1rrs s PRO 335 CO -0.02 -1.04 1.62 1.49 -0.33 0.00 0.00 177.00 178.72 1rrs h GLU 336 N 1.31 -0.24 0.00 5.54 4.81 -1.91 -0.10 114.58 123.99 1rrs h GLU 336 Ca -0.50 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1rrs h GLU 336 Cb 1.29 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1rrs h GLU 336 CO 0.57 -0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 178.29 1rrs n ASP 337 N -5.39 0.00 -0.23 1.04 5.75 -1.26 -1.40 116.55 115.06 1rrs n ASP 337 Ca -0.00 -0.15 0.05 0.00 -0.01 0.00 0.00 54.79 54.68 1rrs n ASP 337 Cb 0.30 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1rrs n ASP 337 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rrs n GLU 338 N -1.01 2.08 0.13 0.11 1.02 -0.06 -4.48 120.64 118.42 1rrs n GLU 338 Ca 0.04 -0.61 0.02 0.00 -0.02 0.00 0.00 57.16 56.60 1rrs n GLU 338 Cb 0.02 -1.10 0.39 0.00 -0.02 0.00 0.00 31.44 30.73 1rrs n GLU 338 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1rrs h LEU 339 N 1.15 0.19 0.00 -4.62 3.38 -1.10 -1.86 115.31 112.44 1rrs h LEU 339 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rrs h LEU 339 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rrs h LEU 339 CO 0.00 0.37 0.00 2.29 0.09 0.00 0.00 178.44 181.19 1rrs n LYS 340 N -4.25 0.02 0.07 1.13 0.00 -1.26 -1.34 118.16 112.53 1rrs n LYS 340 Ca -0.01 0.35 0.12 0.00 -0.00 0.00 0.00 58.31 58.76 1rrs n LYS 340 Cb 0.29 -1.50 0.04 0.00 -0.00 0.00 0.00 35.03 33.86 1rrs n LYS 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rrs n ALA 341 N -1.44 2.85 -2.79 0.58 0.00 -0.70 -4.91 120.51 114.11 1rrs n ALA 341 Ca 0.02 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 1rrs n ALA 341 Cb 0.06 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1rrs n ALA 341 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1rrs s TYR 342 N -3.28 3.53 -0.28 0.00 1.51 -0.45 -4.97 117.35 113.41 1rrs s TYR 342 Ca 0.02 0.47 -0.21 0.00 -1.01 0.00 0.00 57.07 56.34 1rrs s TYR 342 Cb 0.12 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1rrs s TYR 342 CO 0.78 0.56 0.66 0.00 -1.11 0.00 0.00 175.55 176.45 1rrs s ALA 343 N -1.45 3.58 0.07 3.71 0.00 -1.26 -5.02 121.76 121.40 1rrs s ALA 343 Ca 0.33 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1rrs s ALA 343 Cb -0.13 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1rrs s ALA 343 CO 0.21 -0.96 -0.23 -0.06 0.00 0.00 0.00 175.76 174.72 1rrs s PHE 344 N 2.62 2.41 0.78 0.00 0.08 -1.26 -1.14 117.98 121.46 1rrs s PHE 344 Ca 0.27 -0.35 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 1rrs s PHE 344 Cb -0.15 -1.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 1rrs s PHE 344 CO 0.10 0.24 1.13 -2.14 -0.10 0.00 0.00 175.22 174.45 1rrs s PRO 345 N -1.59 2.05 0.44 0.24 0.02 -1.26 -4.57 135.00 130.33 1rrs s PRO 345 Ca 0.14 1.41 0.15 0.00 0.02 0.00 0.00 61.00 62.72 1rrs s PRO 345 Cb -0.10 -1.86 1.07 0.00 0.02 0.00 0.00 34.50 33.63 1rrs s PRO 345 CO 0.05 -1.83 1.97 0.28 -0.33 0.00 0.00 177.00 177.14 1rrs h VAL 346 N -0.92 0.86 -0.26 3.83 2.07 -1.98 -1.92 116.25 117.94 1rrs h VAL 346 Ca -0.45 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1rrs h VAL 346 Cb 1.25 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1rrs h VAL 346 CO 0.49 0.07 0.07 0.77 0.02 0.00 0.00 177.57 178.99 1rrs h SER 347 N 0.37 0.05 1.23 0.57 4.64 -2.00 -2.21 113.55 116.20 1rrs h SER 347 Ca 0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1rrs h SER 347 Cb 0.63 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1rrs h SER 347 CO -0.08 0.06 -0.01 1.41 -0.87 0.00 0.00 176.83 177.34 1rrs n HIS 348 N -5.06 0.47 0.14 4.77 -0.00 -0.78 -2.54 115.22 112.21 1rrs n HIS 348 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1rrs n HIS 348 Cb 0.10 -0.72 0.13 0.00 -0.00 0.00 0.00 29.99 29.50 1rrs n HIS 348 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1rrs h GLN 349 N 0.00 0.00 0.05 -0.41 4.20 -0.80 -2.72 115.11 115.42 1rrs h GLN 349 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1rrs h GLN 349 Cb 0.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1rrs h GLN 349 CO 0.00 0.61 -1.13 -0.09 -0.67 0.00 0.00 178.83 177.55 1rrs h ARG 350 N 0.00 0.10 -0.76 1.46 2.43 -1.20 -1.99 114.38 114.41 1rrs h ARG 350 Ca -0.01 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1rrs h ARG 350 Cb 1.24 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1rrs h ARG 350 CO 0.08 1.06 0.47 0.28 -1.51 0.00 0.00 179.97 180.35 1rrs h VAL 351 N 0.03 1.08 -0.00 0.20 2.07 -1.30 0.21 116.25 118.53 1rrs h VAL 351 Ca -0.07 -0.31 -0.22 0.00 0.82 0.00 0.00 66.70 66.91 1rrs h VAL 351 Cb 1.85 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1rrs h VAL 351 CO 0.15 0.17 -0.93 -0.25 0.02 0.00 0.00 177.57 176.72 1rrs h TRP 352 N 0.91 0.61 0.42 1.57 2.91 -1.50 -2.25 115.95 118.62 1rrs h TRP 352 Ca 0.31 -0.33 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1rrs h TRP 352 Cb 0.06 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1rrs h TRP 352 CO -0.04 1.15 -0.20 -0.09 -1.03 0.00 0.00 178.44 178.22 1rrs h ARG 353 N 0.23 -0.55 -0.70 2.65 2.43 -0.68 -0.98 114.38 116.78 1rrs h ARG 353 Ca -0.08 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1rrs h ARG 353 Cb 1.57 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 31.18 1rrs h ARG 353 CO 0.16 -0.37 0.38 0.93 -1.51 0.00 0.00 179.97 179.57 1rrs h GLU 354 N -0.57 0.67 -0.76 0.20 4.39 -0.67 -1.91 114.58 115.93 1rrs h GLU 354 Ca -0.06 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1rrs h GLU 354 Cb 0.44 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1rrs h GLU 354 CO 0.10 0.44 0.49 -0.92 -1.16 0.00 0.00 179.01 177.96 1rrs h TYR 355 N 0.69 0.93 -0.19 4.33 3.20 -1.11 -2.09 116.97 122.73 1rrs h TYR 355 Ca 0.32 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.07 1rrs h TYR 355 Cb 0.24 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1rrs h TYR 355 CO -0.08 0.56 -0.49 0.87 -1.64 0.00 0.00 178.16 177.38 1rrs h LYS 356 N 0.99 0.50 -0.00 1.82 1.79 -0.68 -2.17 116.57 118.81 1rrs h LYS 356 Ca 0.29 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rrs h LYS 356 Cb -0.06 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1rrs h LYS 356 CO -0.08 0.88 0.00 -0.85 -1.08 0.00 0.00 179.45 178.32 1rrs n GLU 357 N -3.98 1.06 -0.10 3.15 0.28 -0.76 -3.45 120.64 116.83 1rrs n GLU 357 Ca -0.02 -0.08 -0.17 0.00 -0.16 0.00 0.00 57.16 56.72 1rrs n GLU 357 Cb 0.57 -1.46 -0.07 0.00 1.43 0.00 0.00 31.44 31.90 1rrs n GLU 357 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1rrs n TRP 358 N -0.86 0.54 -0.70 -1.84 -0.00 -0.81 -4.27 117.44 109.50 1rrs n TRP 358 Ca 0.22 0.24 -0.06 0.00 -0.00 0.00 0.00 57.50 57.90 1rrs n TRP 358 Cb 0.12 -0.88 -0.04 0.00 -0.00 0.00 0.00 31.31 30.51 1rrs n TRP 358 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1rrs n ALA 359 N -3.88 4.81 0.00 5.87 0.00 -0.86 -5.11 120.51 121.34 1rrs n ALA 359 Ca -0.29 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1rrs n ALA 359 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1rrs n ALA 359 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37