#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e n GLU 2 N 0.00 -1.54 -1.61 3.17 4.07 -1.26 -4.80 120.64 118.67 1a5e n GLU 2 Ca 0.00 1.63 -0.38 0.00 -0.06 0.00 0.00 57.16 58.35 1a5e n GLU 2 Cb 0.00 -5.74 -0.05 0.00 -0.06 0.00 0.00 31.44 25.60 1a5e n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1a5e n PRO 3 N -1.45 1.78 -1.60 5.31 -0.04 -1.26 -4.92 135.00 132.81 1a5e n PRO 3 Ca 0.03 -2.23 -0.53 0.00 -0.04 0.00 0.00 63.50 60.73 1a5e n PRO 3 Cb 0.49 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 1a5e n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e n ALA 4 N 9.73 -0.92 -2.06 0.55 0.00 -1.26 -4.96 120.51 121.58 1a5e n ALA 4 Ca 0.48 0.50 -0.19 0.00 0.00 0.00 0.00 53.44 54.23 1a5e n ALA 4 Cb 0.43 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.83 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e s ALA 5 N 0.84 4.61 0.00 0.00 0.00 -1.26 -4.93 121.76 121.02 1a5e s ALA 5 Ca 0.86 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1a5e s ALA 5 Cb -0.97 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1a5e s ALA 5 CO 0.49 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1a5e n GLY 6 N -2.05 0.95 3.79 0.00 0.00 -1.26 -5.03 105.19 101.59 1a5e n GLY 6 Ca 0.12 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5e s SER 7 N -4.00 6.54 0.20 1.61 1.04 -1.26 -4.71 113.70 113.13 1a5e s SER 7 Ca 0.00 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1a5e s SER 7 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1a5e s SER 7 CO 0.00 -0.64 0.00 -0.24 0.98 0.00 0.00 173.24 173.34 1a5e n SER 8 N -0.55 -8.24 -0.12 7.02 2.88 -1.26 -4.97 113.62 108.38 1a5e n SER 8 Ca 0.07 1.22 -0.22 0.00 -1.33 0.00 0.00 58.87 58.62 1a5e n SER 8 Cb 0.51 -4.60 -0.12 0.00 -0.75 0.00 0.00 64.21 59.25 1a5e n SER 8 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1a5e n MET 9 N 1.58 0.64 -4.43 -1.46 0.00 -1.26 -4.96 117.12 107.23 1a5e n MET 9 Ca 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 57.70 57.65 1a5e n MET 9 Cb 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 33.22 31.58 1a5e n MET 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1a5e s GLU 10 N -2.52 1.66 0.87 0.03 8.01 -1.26 -5.11 118.70 120.39 1a5e s GLU 10 Ca -0.35 -1.63 -0.12 0.00 0.01 0.00 0.00 54.97 52.88 1a5e s GLU 10 Cb 0.10 -1.84 0.12 0.00 -4.31 0.00 0.00 34.13 28.20 1a5e s GLU 10 CO 0.59 0.37 1.16 -1.25 0.01 0.00 0.00 175.26 176.13 1a5e s PRO 11 N -3.13 1.44 0.05 0.39 0.04 -1.26 -4.94 135.00 127.60 1a5e s PRO 11 Ca 0.26 0.21 -0.32 0.00 0.04 0.00 0.00 61.00 61.20 1a5e s PRO 11 Cb -0.06 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1a5e s PRO 11 CO 0.13 -1.98 1.88 0.45 0.04 0.00 0.00 177.00 177.52 1a5e n SER 12 N -3.60 3.91 0.19 6.66 2.88 -1.26 -4.85 113.62 117.55 1a5e n SER 12 Ca 0.07 0.96 0.13 0.00 -1.33 0.00 0.00 58.87 58.70 1a5e n SER 12 Cb 0.60 -1.50 0.27 0.00 -0.75 0.00 0.00 64.21 62.84 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e h ALA 13 N 9.21 1.00 -0.02 -1.46 0.00 -1.94 -3.22 119.26 122.82 1a5e h ALA 13 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1a5e h ALA 13 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a5e h ALA 13 CO 0.94 0.00 0.26 0.22 0.00 0.00 0.00 179.25 180.67 1a5e h ASP 14 N 0.00 0.00 -1.12 0.00 3.58 -1.91 -1.48 116.42 115.50 1a5e h ASP 14 Ca 0.00 0.00 0.31 0.00 0.42 0.00 0.00 57.03 57.76 1a5e h ASP 14 Cb 0.88 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.85 1a5e h ASP 14 CO 0.00 0.00 0.75 -0.50 -2.88 0.00 0.00 179.24 176.61 1a5e h TRP 15 N 0.00 0.40 0.00 0.28 4.06 -1.96 -3.01 115.95 115.72 1a5e h TRP 15 Ca 0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1a5e h TRP 15 Cb 0.54 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1a5e h TRP 15 CO 0.00 0.01 0.00 1.28 -3.56 0.00 0.00 178.44 176.17 1a5e n LEU 16 N -4.46 0.00 -0.26 -4.49 4.32 -0.56 0.97 117.00 112.52 1a5e n LEU 16 Ca 0.26 0.20 -0.04 0.00 -0.02 0.00 0.00 56.01 56.42 1a5e n LEU 16 Cb 1.07 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.89 1a5e n LEU 16 CO 0.31 0.00 0.62 0.00 -1.22 0.00 0.00 177.39 177.09 1a5e h ALA 17 N -2.48 0.03 0.07 -1.18 0.00 -1.80 0.54 119.26 114.44 1a5e h ALA 17 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 17 Cb 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1a5e h ALA 17 CO 0.00 -0.65 -0.52 1.79 0.00 0.00 0.00 179.25 179.87 1a5e h THR 18 N -0.11 0.02 -0.40 0.00 1.35 -1.39 0.30 112.91 112.68 1a5e h THR 18 Ca 0.27 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.19 1a5e h THR 18 Cb 0.57 0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.96 1a5e h THR 18 CO -0.78 0.00 0.08 0.00 -0.25 0.00 0.00 175.52 174.57 1a5e h ALA 19 N -0.43 0.44 -0.24 6.62 0.00 0.14 0.39 119.26 126.18 1a5e h ALA 19 Ca 0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a5e h ALA 19 Cb 0.74 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1a5e h ALA 19 CO -0.32 -0.32 0.04 0.00 0.00 0.00 0.00 179.25 178.66 1a5e h ALA 20 N 1.30 0.24 0.00 0.00 0.00 -0.31 -0.83 119.26 119.67 1a5e h ALA 20 Ca 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1a5e h ALA 20 Cb 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a5e h ALA 20 CO -0.25 -0.38 -0.14 0.00 0.00 0.00 0.00 179.25 178.48 1a5e h ALA 21 N 1.18 1.33 -0.12 0.00 0.00 0.14 0.56 119.26 122.35 1a5e h ALA 21 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a5e h ALA 21 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a5e h ALA 21 CO -0.15 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1a5e n ARG 22 N -3.74 1.45 -3.27 0.00 1.74 0.08 -3.88 116.66 109.04 1a5e n ARG 22 Ca -0.02 -0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 56.22 1a5e n ARG 22 Cb 0.25 -1.31 0.07 0.00 -1.02 0.00 0.00 32.46 30.44 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 23 N 0.96 -0.23 2.52 -0.13 0.00 -0.57 -4.96 105.19 102.78 1a5e n GLY 23 Ca 0.14 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1a5e n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 24 N -3.83 2.17 -0.22 1.61 3.00 -0.69 -4.93 116.66 113.77 1a5e n ARG 24 Ca -0.11 -4.48 0.01 0.00 -0.01 0.00 0.00 57.85 53.26 1a5e n ARG 24 Cb 0.59 -2.17 0.12 0.00 0.00 0.00 0.00 32.46 31.00 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1a5e h VAL 25 N 3.41 0.75 -0.62 1.55 2.07 -1.92 -0.01 116.25 121.48 1a5e h VAL 25 Ca 0.18 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1a5e h VAL 25 Cb 0.71 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1a5e h VAL 25 CO 0.77 0.08 0.42 -0.33 0.02 0.00 0.00 177.57 178.52 1a5e h GLU 26 N 0.42 0.43 -0.40 1.57 5.08 -1.97 0.51 114.58 120.21 1a5e h GLU 26 Ca 0.33 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1a5e h GLU 26 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1a5e h GLU 26 CO -0.33 0.29 -0.18 1.49 -1.00 0.00 0.00 179.01 179.28 1a5e h GLU 27 N 0.45 0.83 0.05 2.33 4.81 -1.39 -2.77 114.58 118.88 1a5e h GLU 27 Ca 0.29 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1a5e h GLU 27 Cb 0.53 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1a5e h GLU 27 CO -0.08 0.99 -0.57 0.28 -0.73 0.00 0.00 179.01 178.90 1a5e h VAL 28 N 0.64 1.51 -0.68 0.32 2.07 -0.92 -2.87 116.25 116.32 1a5e h VAL 28 Ca 0.09 -2.24 0.15 0.00 0.82 0.00 0.00 66.70 65.52 1a5e h VAL 28 Cb 0.73 2.90 -0.12 0.00 -1.52 0.00 0.00 31.29 33.28 1a5e h VAL 28 CO 0.06 0.63 0.02 -0.09 0.02 0.00 0.00 177.57 178.20 1a5e h ARG 29 N -0.34 0.12 0.00 1.57 9.65 -0.07 0.30 114.38 125.61 1a5e h ARG 29 Ca -0.09 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.68 1a5e h ARG 29 Cb 1.35 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 1a5e h ARG 29 CO 0.11 0.08 -0.51 0.00 2.80 0.00 0.00 179.97 182.45 1a5e h ALA 30 N 1.62 1.15 -0.13 2.80 0.00 -1.58 -2.87 119.26 120.25 1a5e h ALA 30 Ca 0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a5e h ALA 30 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1a5e h ALA 30 CO -0.58 0.63 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1a5e n LEU 31 N -3.91 0.05 -0.23 0.00 4.77 0.92 -2.23 117.00 116.37 1a5e n LEU 31 Ca -0.01 0.77 0.01 0.00 -0.03 0.00 0.00 56.01 56.75 1a5e n LEU 31 Cb 0.52 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1a5e n LEU 31 CO 0.40 -0.48 0.76 -0.07 -1.33 0.00 0.00 177.39 176.67 1a5e h LEU 32 N 0.00 -0.54 -2.44 2.23 3.38 -1.32 0.47 115.31 117.09 1a5e h LEU 32 Ca 0.00 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a5e h LEU 32 Cb 0.00 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a5e h LEU 32 CO 0.00 -0.20 -0.02 -0.08 0.09 0.00 0.00 178.44 178.23 1a5e h GLU 33 N 0.03 0.00 -0.01 1.13 4.81 -1.62 -0.62 114.58 118.31 1a5e h GLU 33 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1a5e h GLU 33 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1a5e h GLU 33 CO -0.67 0.02 -0.30 0.00 -0.73 0.00 0.00 179.01 177.33 1a5e n ALA 34 N -2.28 3.16 0.00 2.92 0.00 0.16 -4.90 120.51 119.57 1a5e n ALA 34 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1a5e n ALA 34 Cb 0.11 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1a5e n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 35 N 1.37 1.99 3.70 0.00 0.00 -0.24 -5.07 105.19 106.94 1a5e n GLY 35 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 36 N -2.00 3.30 -0.35 4.61 0.00 -0.57 -4.92 121.76 121.82 1a5e s ALA 36 Ca 0.00 0.56 -0.37 0.00 0.00 0.00 0.00 51.96 52.15 1a5e s ALA 36 Cb 0.00 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1a5e s ALA 36 CO 0.00 -0.42 2.12 -0.11 0.00 0.00 0.00 175.76 177.35 1a5e n LEU 37 N 4.32 2.02 0.07 0.00 7.94 -1.26 -4.53 117.00 125.56 1a5e n LEU 37 Ca 0.08 0.55 -0.03 0.00 -1.11 0.00 0.00 56.01 55.50 1a5e n LEU 37 Cb 0.49 -1.20 0.20 0.00 0.53 0.00 0.00 43.42 43.44 1a5e n LEU 37 CO 0.53 -0.68 0.63 1.55 -1.11 0.00 0.00 177.39 178.31 1a5e h PRO 38 N 11.17 0.31 -1.78 1.96 0.13 -1.91 -3.18 132.00 138.69 1a5e h PRO 38 Ca -0.28 -0.15 -0.68 0.00 -0.87 0.00 0.00 66.00 64.02 1a5e h PRO 38 Cb 1.33 -0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.12 1a5e h PRO 38 CO 1.02 0.67 0.20 0.09 -0.23 0.00 0.00 178.00 179.75 1a5e n ASN 39 N -4.02 6.16 -4.81 1.44 5.03 -1.26 -4.50 115.26 113.30 1a5e n ASN 39 Ca -0.02 -3.78 -0.33 0.00 0.87 0.00 0.00 54.58 51.32 1a5e n ASN 39 Cb 0.49 -0.78 -0.05 0.00 -1.02 0.00 0.00 39.78 38.42 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e s ALA 40 N -3.82 2.97 -0.23 5.41 0.00 -1.20 -4.98 121.76 119.91 1a5e s ALA 40 Ca 0.50 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1a5e s ALA 40 Cb 0.41 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1a5e s ALA 40 CO -0.30 -0.13 1.43 -1.25 0.00 0.00 0.00 175.76 175.51 1a5e s PRO 41 N -3.39 3.96 0.55 0.00 0.04 -1.26 -4.66 135.00 130.24 1a5e s PRO 41 Ca 0.63 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1a5e s PRO 41 Cb -0.12 -3.92 0.04 0.00 0.04 0.00 0.00 34.50 30.54 1a5e s PRO 41 CO 0.19 -1.08 0.76 -0.80 0.04 0.00 0.00 177.00 176.12 1a5e s ASN 42 N 3.17 5.26 -0.26 6.66 0.02 -1.26 -4.91 114.94 123.62 1a5e s ASN 42 Ca 0.63 -0.11 0.01 0.00 -1.02 0.00 0.00 52.86 52.37 1a5e s ASN 42 Cb -0.22 -0.76 0.30 0.00 0.02 0.00 0.00 41.25 40.59 1a5e s ASN 42 CO 0.24 -1.15 1.65 -0.24 0.02 0.00 0.00 177.10 177.62 1a5e n SER 43 N -2.31 4.45 0.00 -1.22 2.88 -1.26 -3.79 113.62 112.37 1a5e n SER 43 Ca 0.09 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1a5e n SER 43 Cb 0.60 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a5e n TYR 44 N -0.11 0.00 -2.12 0.66 4.01 -1.26 -4.99 117.16 113.35 1a5e n TYR 44 Ca 0.30 -0.03 -0.15 0.00 -0.16 0.00 0.00 57.90 57.87 1a5e n TYR 44 Cb 0.91 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.92 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5e n GLY 45 N -0.03 0.10 0.36 2.72 0.00 -1.25 -4.77 105.19 102.32 1a5e n GLY 45 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1a5e n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 46 N -2.59 0.60 -0.49 1.61 1.74 -1.26 -4.66 116.66 111.61 1a5e n ARG 46 Ca -0.17 -1.80 0.07 0.00 -0.77 0.00 0.00 57.85 55.18 1a5e n ARG 46 Cb 0.59 -0.94 -0.02 0.00 -1.02 0.00 0.00 32.46 31.07 1a5e n ARG 46 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a5e n ARG 47 N -0.63 -0.99 -1.27 5.56 3.00 -1.26 -4.25 116.66 116.82 1a5e n ARG 47 Ca 0.08 0.65 -0.29 0.00 -0.01 0.00 0.00 57.85 58.28 1a5e n ARG 47 Cb 0.69 -1.21 0.23 0.00 0.00 0.00 0.00 32.46 32.18 1a5e n ARG 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1a5e n PRO 48 N -1.87 -2.52 0.00 5.56 -0.04 -1.26 -3.67 135.00 131.19 1a5e n PRO 48 Ca 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1a5e n PRO 48 Cb 0.22 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1a5e n PRO 48 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a5e n ILE 49 N -4.48 0.00 0.13 0.52 5.41 -1.26 -3.81 119.36 115.86 1a5e n ILE 49 Ca 0.15 0.00 0.17 0.00 1.00 0.00 0.00 62.75 64.08 1a5e n ILE 49 Cb 0.57 0.00 0.56 0.00 -0.71 0.00 0.00 39.64 40.06 1a5e n ILE 49 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1a5e h GLN 50 N 0.00 0.00 -0.11 0.38 4.15 -1.74 0.72 115.11 118.51 1a5e h GLN 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1a5e h GLN 50 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1a5e h GLN 50 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 178.83 178.45 1a5e n VAL 51 N -3.17 0.63 -1.08 2.39 3.14 -1.24 -4.89 118.33 114.11 1a5e n VAL 51 Ca 0.07 -0.82 -0.29 0.00 -2.96 0.00 0.00 64.34 60.35 1a5e n VAL 51 Cb 0.84 0.72 0.20 0.00 -1.06 0.00 0.00 33.84 34.54 1a5e n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s MET 52 N -0.79 -0.16 0.60 1.45 0.23 0.25 -3.93 119.30 116.95 1a5e s MET 52 Ca 0.09 0.39 0.26 0.00 -1.03 0.00 0.00 55.69 55.40 1a5e s MET 52 Cb 0.05 -1.68 1.42 0.00 -1.53 0.00 0.00 34.83 33.09 1a5e s MET 52 CO 0.07 -3.10 1.78 1.98 -2.03 0.00 0.00 175.02 173.72 1a5e h MET 53 N -2.15 0.00 -0.01 3.16 1.85 -0.03 -3.42 114.93 114.32 1a5e h MET 53 Ca -0.54 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.55 1a5e h MET 53 Cb 1.33 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.36 1a5e h MET 53 CO 0.52 0.00 -0.00 -1.33 -0.40 0.00 0.00 176.91 175.70 1a5e n MET 54 N -2.73 -1.75 -0.10 0.39 2.81 -1.26 -4.74 117.12 109.75 1a5e n MET 54 Ca -0.02 0.45 0.08 0.00 -1.81 0.00 0.00 57.70 56.40 1a5e n MET 54 Cb 0.38 -4.76 0.13 0.00 -0.71 0.00 0.00 33.22 28.26 1a5e n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5e n GLY 55 N 0.49 4.48 2.56 3.03 0.00 -1.26 -4.69 105.19 109.80 1a5e n GLY 55 Ca -0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 1a5e n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 56 N -1.18 -1.92 -0.40 1.61 7.64 -1.26 -4.98 113.62 113.13 1a5e n SER 56 Ca 0.14 -2.72 0.39 0.00 1.01 0.00 0.00 58.87 57.69 1a5e n SER 56 Cb 0.60 0.64 0.73 0.00 -1.01 0.00 0.00 64.21 65.17 1a5e n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e h ALA 57 N 5.08 3.26 -0.86 -0.43 0.00 -1.94 0.33 119.26 124.70 1a5e h ALA 57 Ca 0.13 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.16 1a5e h ALA 57 Cb 1.00 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1a5e h ALA 57 CO 0.22 -1.76 0.41 0.00 0.00 0.00 0.00 179.25 178.13 1a5e h ARG 58 N 0.00 0.52 0.35 0.00 3.08 -1.96 0.58 114.38 116.95 1a5e h ARG 58 Ca 0.64 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.66 1a5e h ARG 58 Cb 2.76 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 32.66 1a5e h ARG 58 CO -0.01 0.34 -0.48 0.28 -1.07 0.00 0.00 179.97 179.04 1a5e h VAL 59 N 0.53 0.00 -0.16 2.04 2.07 -0.72 -0.35 116.25 119.67 1a5e h VAL 59 Ca 0.49 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.06 1a5e h VAL 59 Cb 0.79 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1a5e h VAL 59 CO -0.42 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 176.98 1a5e h ALA 60 N -0.85 -0.10 -1.18 1.67 0.00 -1.46 0.18 119.26 117.51 1a5e h ALA 60 Ca -0.04 0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.28 1a5e h ALA 60 Cb 0.78 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1a5e h ALA 60 CO -0.13 -0.63 0.77 1.49 0.00 0.00 0.00 179.25 180.75 1a5e h GLU 61 N -0.22 0.22 0.08 0.00 4.81 -0.48 1.78 114.58 120.77 1a5e h GLU 61 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1a5e h GLU 61 Cb 0.38 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1a5e h GLU 61 CO -0.29 0.14 -0.04 1.25 -0.73 0.00 0.00 179.01 179.35 1a5e h LEU 62 N 0.23 -0.09 0.59 1.64 5.85 0.86 -2.99 115.31 121.40 1a5e h LEU 62 Ca 0.70 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.39 1a5e h LEU 62 Cb 2.06 0.02 0.01 0.00 0.37 0.00 0.00 40.66 43.11 1a5e h LEU 62 CO -0.33 0.35 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.77 1a5e h LEU 63 N -0.94 -0.67 -0.09 2.25 3.38 0.31 -1.50 115.31 118.04 1a5e h LEU 63 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a5e h LEU 63 Cb 0.08 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1a5e h LEU 63 CO 0.02 -0.45 -0.41 0.25 0.09 0.00 0.00 178.44 177.94 1a5e h LEU 64 N -0.84 -1.30 -2.14 1.67 6.46 0.25 1.19 115.31 120.59 1a5e h LEU 64 Ca -0.08 0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1a5e h LEU 64 Cb 0.63 0.51 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1a5e h LEU 64 CO 0.13 -0.37 0.29 0.17 -0.62 0.00 0.00 178.44 178.05 1a5e h LEU 65 N -0.45 0.00 0.00 2.25 8.10 -1.56 0.30 115.31 123.95 1a5e h LEU 65 Ca 0.02 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.80 1a5e h LEU 65 Cb 0.52 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.71 1a5e h LEU 65 CO -0.33 0.00 -1.08 0.45 -4.11 0.00 0.00 178.44 173.37 1a5e h HIS 66 N 0.00 0.00 0.00 0.17 3.86 0.85 -3.47 115.15 116.56 1a5e h HIS 66 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1a5e h HIS 66 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1a5e h HIS 66 CO 0.00 0.93 0.00 0.41 0.86 0.00 0.00 177.93 180.13 1a5e n GLY 67 N 1.37 0.57 0.00 2.45 0.00 0.36 -4.92 105.19 105.03 1a5e n GLY 67 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1a5e n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 68 N 0.00 0.00 -2.83 4.61 0.00 0.32 -4.26 120.51 118.35 1a5e n ALA 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 68 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1a5e n ALA 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a5e n GLU 69 N 0.00 3.69 0.00 0.00 0.28 -1.26 -4.80 120.64 118.54 1a5e n GLU 69 Ca 0.00 -4.78 0.05 0.00 -0.16 0.00 0.00 57.16 52.28 1a5e n GLU 69 Cb 0.00 -2.29 0.24 0.00 1.43 0.00 0.00 31.44 30.82 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1a5e n PRO 70 N -0.24 0.05 0.05 3.44 -0.04 -1.26 -4.17 135.00 132.83 1a5e n PRO 70 Ca 0.35 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1a5e n PRO 70 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1a5e n PRO 70 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a5e n ASN 71 N -1.43 0.25 -4.46 3.54 5.15 -1.26 -3.99 115.26 113.05 1a5e n ASN 71 Ca 0.03 0.15 -0.43 0.00 -0.60 0.00 0.00 54.58 53.73 1a5e n ASN 71 Cb 0.11 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5e n ALA 73 N -0.63 0.00 -2.74 0.00 0.00 -1.26 -4.54 120.51 111.34 1a5e n ALA 73 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 1a5e n ALA 73 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 1a5e n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a5e s ASP 74 N 1.00 4.58 0.00 0.00 -1.08 -1.26 -4.89 116.67 115.02 1a5e s ASP 74 Ca 0.00 -0.10 0.19 0.00 -0.52 0.00 0.00 52.55 52.12 1a5e s ASP 74 Cb 0.00 -1.38 0.95 0.00 -1.46 0.00 0.00 42.92 41.03 1a5e s ASP 74 CO 0.00 0.29 1.56 -0.81 0.52 0.00 0.00 175.17 176.73 1a5e n PRO 75 N 2.74 0.28 -0.13 4.34 -0.04 -1.26 0.13 135.00 141.07 1a5e n PRO 75 Ca -0.18 0.10 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1a5e n PRO 75 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1a5e n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e n ALA 76 N -1.27 1.09 -0.03 0.55 0.00 -1.26 -4.67 120.51 114.92 1a5e n ALA 76 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1a5e n ALA 76 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1a5e n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a5e n THR 77 N -4.27 0.94 -2.19 0.00 -2.24 -1.22 -4.76 114.28 100.53 1a5e n THR 77 Ca -0.48 -0.95 -0.07 0.00 -2.27 0.00 0.00 64.05 60.27 1a5e n THR 77 Cb 0.84 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a5e n LEU 78 N -0.47 -0.66 -4.56 3.22 4.77 0.35 -2.08 117.00 117.58 1a5e n LEU 78 Ca 0.00 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1a5e n LEU 78 Cb 0.25 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.66 1a5e n LEU 78 CO 0.00 -0.14 1.21 0.42 -1.33 0.00 0.00 177.39 177.55 1a5e s THR 79 N -2.21 3.03 1.00 -5.08 -4.23 -1.26 -4.49 115.64 102.40 1a5e s THR 79 Ca 0.00 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1a5e s THR 79 Cb 0.00 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.93 1a5e s THR 79 CO 0.00 -0.06 1.09 -0.13 -0.54 0.00 0.00 174.62 174.98 1a5e s ARG 80 N 8.81 0.44 0.00 3.99 0.52 -1.26 -3.98 118.95 127.46 1a5e s ARG 80 Ca 0.91 0.59 0.15 0.00 -0.52 0.00 0.00 55.73 56.86 1a5e s ARG 80 Cb -0.12 -1.73 0.90 0.00 0.52 0.00 0.00 34.95 34.52 1a5e s ARG 80 CO 0.08 -2.74 1.35 -0.35 0.02 0.00 0.00 175.30 173.66 1a5e n PRO 81 N -4.20 0.64 0.03 3.54 -0.04 -1.26 -2.90 135.00 130.80 1a5e n PRO 81 Ca 0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 1a5e n PRO 81 Cb 0.57 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 1a5e n PRO 81 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a5e h VAL 82 N 0.00 1.23 -0.34 0.52 2.07 -1.89 -3.31 116.25 114.54 1a5e h VAL 82 Ca 0.00 -2.98 -0.08 0.00 0.82 0.00 0.00 66.70 64.47 1a5e h VAL 82 Cb 0.00 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1a5e h VAL 82 CO 0.00 0.75 -0.09 0.45 0.02 0.00 0.00 177.57 178.70 1a5e h HIS 83 N 0.02 0.74 -0.04 1.57 3.86 -1.83 -3.07 115.15 116.40 1a5e h HIS 83 Ca -0.18 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 58.91 1a5e h HIS 83 Cb 1.93 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 30.17 1a5e h HIS 83 CO 0.02 0.83 -0.26 -0.44 0.86 0.00 0.00 177.93 178.93 1a5e h ASP 84 N 0.44 -0.79 0.20 2.45 3.32 -1.73 0.90 116.42 121.22 1a5e h ASP 84 Ca 0.09 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1a5e h ASP 84 Cb 0.59 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1a5e h ASP 84 CO 0.03 -0.32 -0.37 0.00 -1.72 0.00 0.00 179.24 176.86 1a5e h ALA 85 N 0.47 -0.94 0.36 3.45 0.00 -1.64 -1.79 119.26 119.17 1a5e h ALA 85 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a5e h ALA 85 Cb 0.48 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1a5e h ALA 85 CO -0.26 -1.00 -0.26 0.00 0.00 0.00 0.00 179.25 177.73 1a5e h ALA 86 N -0.98 -0.61 -1.22 0.00 0.00 -1.43 -0.32 119.26 114.70 1a5e h ALA 86 Ca -0.02 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 86 Cb 0.57 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1a5e h ALA 86 CO -0.13 -0.87 1.09 -0.09 0.00 0.00 0.00 179.25 179.25 1a5e h ARG 87 N -0.62 0.00 -0.01 0.00 9.65 0.97 1.13 114.38 125.49 1a5e h ARG 87 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1a5e h ARG 87 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1a5e h ARG 87 CO 0.01 0.00 -0.38 -1.91 2.80 0.00 0.00 179.97 180.49 1a5e n GLU 88 N -3.66 1.53 -1.11 0.20 4.07 -0.69 -4.96 120.64 116.02 1a5e n GLU 88 Ca 0.27 -0.89 -0.01 0.00 -0.06 0.00 0.00 57.16 56.47 1a5e n GLU 88 Cb 1.47 -1.34 -0.00 0.00 -0.06 0.00 0.00 31.44 31.51 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a5e n GLY 89 N 1.24 0.44 3.28 8.31 0.00 0.39 -4.99 105.19 113.86 1a5e n GLY 89 Ca 0.08 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 1a5e n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5e s PHE 90 N -2.04 3.45 0.17 1.61 2.19 -0.22 -4.88 117.98 118.27 1a5e s PHE 90 Ca 0.00 -1.70 -0.07 0.00 0.33 0.00 0.00 56.93 55.49 1a5e s PHE 90 Cb 0.00 -3.72 0.05 0.00 -1.31 0.00 0.00 43.02 38.05 1a5e s PHE 90 CO 0.00 -1.00 1.51 1.25 1.83 0.00 0.00 175.22 178.82 1a5e h LEU 91 N 8.35 0.85 -0.92 6.12 6.46 -1.93 -3.15 115.31 131.09 1a5e h LEU 91 Ca -0.14 -0.39 0.19 0.00 -0.12 0.00 0.00 57.88 57.41 1a5e h LEU 91 Cb 1.07 -0.24 -0.11 0.00 -0.73 0.00 0.00 40.66 40.65 1a5e h LEU 91 CO 0.90 1.14 0.49 0.44 -0.62 0.00 0.00 178.44 180.79 1a5e h ASP 92 N 0.64 0.57 -0.34 1.25 3.32 -1.97 -0.53 116.42 119.36 1a5e h ASP 92 Ca 0.05 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1a5e h ASP 92 Cb 0.97 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1a5e h ASP 92 CO 0.09 0.17 0.07 0.74 -1.72 0.00 0.00 179.24 178.59 1a5e h THR 93 N 0.61 0.83 -0.70 0.35 2.02 -1.88 -1.65 112.91 112.50 1a5e h THR 93 Ca 0.54 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.68 1a5e h THR 93 Cb 0.87 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1a5e h THR 93 CO -0.42 0.03 0.45 -0.07 0.37 0.00 0.00 175.52 175.88 1a5e h LEU 94 N 0.19 0.75 -0.47 2.58 4.07 -1.23 -1.71 115.31 119.48 1a5e h LEU 94 Ca 0.16 -0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.21 1a5e h LEU 94 Cb 0.18 -0.17 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 1a5e h LEU 94 CO -0.21 0.52 -0.05 0.58 -1.08 0.00 0.00 178.44 178.20 1a5e h VAL 95 N 0.89 0.59 -0.70 1.22 2.07 -0.71 0.11 116.25 119.71 1a5e h VAL 95 Ca 0.27 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.78 1a5e h VAL 95 Cb -0.02 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1a5e h VAL 95 CO -0.09 0.01 0.46 0.58 0.02 0.00 0.00 177.57 178.55 1a5e h VAL 96 N 0.07 1.17 0.59 2.57 2.07 -0.85 0.64 116.25 122.51 1a5e h VAL 96 Ca 0.24 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1a5e h VAL 96 Cb 0.36 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1a5e h VAL 96 CO -0.43 0.17 -0.44 -0.07 0.02 0.00 0.00 177.57 176.82 1a5e h LEU 97 N 0.94 -1.15 -1.00 2.57 4.07 -0.02 -1.97 115.31 118.73 1a5e h LEU 97 Ca 0.26 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 58.23 1a5e h LEU 97 Cb -0.09 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1a5e h LEU 97 CO -0.06 -0.64 -0.07 -0.74 -1.08 0.00 0.00 178.44 175.85 1a5e h HIS 98 N -1.00 0.69 0.00 1.13 2.76 -0.70 -1.80 115.15 116.22 1a5e h HIS 98 Ca -0.07 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1a5e h HIS 98 Cb 0.84 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1a5e h HIS 98 CO -0.16 0.69 0.00 -2.13 -1.30 0.00 0.00 177.93 175.03 1a5e n ARG 99 N -4.21 0.15 -2.89 5.26 0.63 0.22 -3.06 116.66 112.77 1a5e n ARG 99 Ca 0.01 0.61 -0.13 0.00 -0.92 0.00 0.00 57.85 57.43 1a5e n ARG 99 Cb 0.31 -1.96 0.01 0.00 0.45 0.00 0.00 32.46 31.27 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5e n ALA 100 N -1.79 2.69 -2.46 5.13 0.00 -0.69 -5.04 120.51 118.36 1a5e n ALA 100 Ca -0.01 -3.18 -0.02 0.00 0.00 0.00 0.00 53.44 50.23 1a5e n ALA 100 Cb 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1a5e n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 101 N 0.08 -5.23 3.07 0.00 0.00 -1.10 -4.94 105.19 97.06 1a5e n GLY 101 Ca 0.15 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 1a5e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 102 N -0.58 -1.92 -0.26 4.61 0.00 -1.11 -4.54 121.76 117.95 1a5e s ALA 102 Ca -0.11 0.53 -0.36 0.00 0.00 0.00 0.00 51.96 52.02 1a5e s ALA 102 Cb 0.01 -2.41 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 1a5e s ALA 102 CO 0.29 -1.90 1.99 -2.13 0.00 0.00 0.00 175.76 174.01 1a5e n ARG 103 N 5.14 1.40 -0.11 0.00 0.63 -1.26 -4.63 116.66 117.83 1a5e n ARG 103 Ca 0.05 0.46 0.09 0.00 -0.92 0.00 0.00 57.85 57.53 1a5e n ARG 103 Cb 0.53 -2.43 0.14 0.00 0.45 0.00 0.00 32.46 31.15 1a5e n ARG 103 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a5e n LEU 104 N 7.85 2.87 -2.72 6.15 4.77 -1.26 -4.56 117.00 130.10 1a5e n LEU 104 Ca 0.32 -1.41 -0.32 0.00 -0.03 0.00 0.00 56.01 54.58 1a5e n LEU 104 Cb 0.22 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1a5e n LEU 104 CO 0.77 0.61 0.68 -0.90 -1.33 0.00 0.00 177.39 177.22 1a5e n ASP 105 N 1.04 5.72 -4.52 -1.43 5.68 -1.26 -4.01 116.55 117.77 1a5e n ASP 105 Ca 0.14 -3.75 -0.22 0.00 -0.50 0.00 0.00 54.79 50.46 1a5e n ASP 105 Cb 0.48 -0.70 0.01 0.00 -1.14 0.00 0.00 41.12 39.77 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1a5e n VAL 106 N -0.46 0.00 -4.19 2.12 3.14 -1.26 -5.07 118.33 112.62 1a5e n VAL 106 Ca 0.43 -1.87 -0.17 0.00 -2.96 0.00 0.00 64.34 59.77 1a5e n VAL 106 Cb 0.48 -0.19 -0.11 0.00 -1.06 0.00 0.00 33.84 32.95 1a5e n VAL 106 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1a5e s ARG 107 N -4.07 0.87 -0.81 1.45 0.52 -1.26 -4.62 118.95 111.04 1a5e s ARG 107 Ca 0.34 -1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1a5e s ARG 107 Cb -0.03 -0.73 -0.17 0.00 0.52 0.00 0.00 34.95 34.54 1a5e s ARG 107 CO 0.21 0.14 3.28 -0.25 0.02 0.00 0.00 175.30 178.70 1a5e n ASP 108 N 0.84 7.00 0.00 0.23 8.00 0.23 -4.52 116.55 128.33 1a5e n ASP 108 Ca -0.18 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.77 1a5e n ASP 108 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5e n ALA 109 N 2.97 0.00 -0.13 2.24 0.00 -0.88 -3.77 120.51 120.94 1a5e n ALA 109 Ca 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.99 1a5e n ALA 109 Cb 0.57 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.15 1a5e n ALA 109 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1a5e h TRP 110 N 0.00 0.92 0.00 0.00 6.55 -1.87 -3.46 115.95 118.08 1a5e h TRP 110 Ca 0.00 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.70 1a5e h TRP 110 Cb 0.00 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.05 1a5e h TRP 110 CO 0.00 0.85 0.00 0.41 -1.05 0.00 0.00 178.44 178.65 1a5e n GLY 111 N -0.55 0.49 3.59 1.49 0.00 -1.25 -5.13 105.19 103.84 1a5e n GLY 111 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 1a5e n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 112 N 0.00 1.34 -4.21 1.61 1.74 -1.26 -4.43 116.66 111.45 1a5e n ARG 112 Ca 0.00 0.47 -0.23 0.00 -0.77 0.00 0.00 57.85 57.33 1a5e n ARG 112 Cb 0.00 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.44 1a5e n ARG 112 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1a5e s LEU 113 N 0.53 3.35 0.51 0.55 2.96 -1.26 0.76 118.68 126.08 1a5e s LEU 113 Ca 0.67 -0.59 0.30 0.00 -0.22 0.00 0.00 54.13 54.29 1a5e s LEU 113 Cb -0.77 -1.86 1.23 0.00 0.50 0.00 0.00 46.19 45.29 1a5e s LEU 113 CO 0.55 -0.08 1.94 1.55 -1.32 0.00 0.00 176.35 178.99 1a5e h PRO 114 N 1.72 0.00 0.03 0.98 0.13 -1.91 -3.01 132.00 129.94 1a5e h PRO 114 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 1a5e h PRO 114 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1a5e h PRO 114 CO 0.61 0.08 -1.52 -0.24 -0.23 0.00 0.00 178.00 176.70 1a5e h VAL 115 N 0.00 1.10 0.00 1.56 3.04 -1.94 -3.30 116.25 116.72 1a5e h VAL 115 Ca -0.00 -2.88 -0.00 0.00 -1.01 0.00 0.00 66.70 62.81 1a5e h VAL 115 Cb 0.58 2.59 -0.00 0.00 -2.01 0.00 0.00 31.29 32.45 1a5e h VAL 115 CO 0.01 0.70 -0.01 -0.78 -1.01 0.00 0.00 177.57 176.48 1a5e h ASP 116 N 0.02 0.00 -0.01 3.17 3.58 -1.93 -2.03 116.42 119.21 1a5e h ASP 116 Ca -0.22 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.09 1a5e h ASP 116 Cb 1.96 0.00 0.01 0.00 1.72 0.00 0.00 39.33 43.02 1a5e h ASP 116 CO 0.11 0.01 -0.55 -0.07 -2.88 0.00 0.00 179.24 175.85 1a5e h LEU 117 N 0.00 0.50 -0.75 2.28 3.38 -1.63 -3.01 115.31 116.08 1a5e h LEU 117 Ca -0.00 -0.75 -0.12 0.00 0.09 0.00 0.00 57.88 57.10 1a5e h LEU 117 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1a5e h LEU 117 CO 0.00 1.19 -0.29 0.00 0.09 0.00 0.00 178.44 179.43 1a5e h ALA 118 N 0.32 0.93 -0.88 1.53 0.00 -1.55 0.25 119.26 119.86 1a5e h ALA 118 Ca -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1a5e h ALA 118 Cb 1.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 118 CO 0.11 0.62 0.52 0.93 0.00 0.00 0.00 179.25 181.43 1a5e h GLU 119 N 0.54 1.19 0.02 0.00 5.08 -1.45 -2.16 114.58 117.81 1a5e h GLU 119 Ca 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1a5e h GLU 119 Cb 0.77 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1a5e h GLU 119 CO 0.06 0.84 -0.01 1.49 -1.00 0.00 0.00 179.01 180.40 1a5e h GLU 120 N 1.21 -0.02 0.00 2.33 4.22 -1.36 -3.41 114.58 117.54 1a5e h GLU 120 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1a5e h GLU 120 Cb -0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1a5e h GLU 120 CO -0.06 0.21 0.00 1.28 -2.18 0.00 0.00 179.01 178.26 1a5e n LEU 121 N -4.76 0.00 0.00 1.64 4.77 0.06 -4.94 117.00 113.77 1a5e n LEU 121 Ca -0.03 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1a5e n LEU 121 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1a5e n LEU 121 CO 0.09 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1a5e n GLY 122 N -0.31 0.00 2.76 -0.72 0.00 -0.84 -5.05 105.19 101.03 1a5e n GLY 122 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1a5e n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5e n HIS 123 N 0.00 3.04 -0.33 1.61 8.25 -1.03 -4.79 115.22 121.97 1a5e n HIS 123 Ca 0.00 -2.69 0.19 0.00 -0.26 0.00 0.00 57.72 54.97 1a5e n HIS 123 Cb 0.00 -1.03 0.40 0.00 1.12 0.00 0.00 29.99 30.49 1a5e n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e h ARG 124 N 3.53 0.40 -0.80 -0.41 3.08 -1.97 0.94 114.38 119.15 1a5e h ARG 124 Ca 0.48 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.53 1a5e h ARG 124 Cb 0.29 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1a5e h ARG 124 CO 1.20 0.26 0.52 -0.44 -1.07 0.00 0.00 179.97 180.44 1a5e h ASP 125 N 0.41 0.87 0.12 7.04 5.19 -1.96 -0.70 116.42 127.39 1a5e h ASP 125 Ca 0.66 -0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.86 1a5e h ASP 125 Cb 1.39 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 40.70 1a5e h ASP 125 CO -0.56 0.61 -0.95 0.58 -3.12 0.00 0.00 179.24 175.80 1a5e h VAL 126 N 1.03 1.37 -0.89 -1.35 2.07 -0.29 -2.91 116.25 115.28 1a5e h VAL 126 Ca 0.31 -2.47 0.12 0.00 0.82 0.00 0.00 66.70 65.48 1a5e h VAL 126 Cb -0.04 3.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1a5e h VAL 126 CO -0.09 0.69 0.57 0.00 0.02 0.00 0.00 177.57 178.76 1a5e h ALA 127 N 0.02 1.75 0.01 1.67 0.00 0.71 0.59 119.26 124.00 1a5e h ALA 127 Ca -0.19 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1a5e h ALA 127 Cb 1.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1a5e h ALA 127 CO 0.10 0.03 -0.21 0.00 0.00 0.00 0.00 179.25 179.18 1a5e h ARG 128 N 0.77 0.12 0.34 0.00 3.08 -1.23 -2.76 114.38 114.69 1a5e h ARG 128 Ca 0.44 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 1a5e h ARG 128 Cb 0.59 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1a5e h ARG 128 CO -0.20 0.95 -0.16 -0.92 -1.07 0.00 0.00 179.97 178.57 1a5e h TYR 129 N -0.65 -0.42 -0.67 3.04 5.03 -1.26 -2.89 116.97 119.15 1a5e h TYR 129 Ca -0.03 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.42 1a5e h TYR 129 Cb 1.03 0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 1a5e h TYR 129 CO 0.21 -0.11 0.46 1.37 -1.32 0.00 0.00 178.16 178.77 1a5e h LEU 130 N -0.99 0.26 -0.73 2.82 8.10 0.01 -0.32 115.31 124.45 1a5e h LEU 130 Ca -0.05 0.01 -0.10 0.00 0.11 0.00 0.00 57.88 57.86 1a5e h LEU 130 Cb 0.50 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1a5e h LEU 130 CO 0.08 0.14 -0.09 -0.09 -4.11 0.00 0.00 178.44 174.36 1a5e h ARG 131 N 0.27 0.87 -0.49 0.17 2.43 -1.48 1.01 114.38 117.17 1a5e h ARG 131 Ca 0.33 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1a5e h ARG 131 Cb 0.89 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1a5e h ARG 131 CO -0.08 0.93 0.13 0.00 -1.51 0.00 0.00 179.97 179.44 1a5e h ALA 132 N 1.10 1.32 0.00 2.80 0.00 -0.84 0.55 119.26 124.19 1a5e h ALA 132 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a5e h ALA 132 Cb 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a5e h ALA 132 CO 0.04 0.49 -1.05 0.00 0.00 0.00 0.00 179.25 178.73 1a5e n ALA 133 N -2.46 2.61 0.68 0.00 0.00 -1.01 -3.98 120.51 116.34 1a5e n ALA 133 Ca 0.03 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1a5e n ALA 133 Cb 0.20 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.61 1a5e n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 134 N -2.15 3.60 0.00 0.00 0.00 0.35 -4.36 120.51 117.95 1a5e n ALA 134 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1a5e n ALA 134 Cb 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1a5e n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 135 N 1.40 -2.18 3.79 0.00 0.00 0.16 -4.01 105.19 104.35 1a5e n GLY 135 Ca 0.03 0.71 -0.28 0.00 0.00 0.00 0.00 46.02 46.48 1a5e n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5e n GLY 136 N 0.00 -0.51 3.61 -0.02 0.00 0.80 -4.76 105.19 104.31 1a5e n GLY 136 Ca 0.00 0.22 -0.48 0.00 0.00 0.00 0.00 46.02 45.75 1a5e n GLY 136 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a5e n THR 137 N -4.79 0.64 -3.60 2.61 5.66 -1.26 -4.93 114.28 108.61 1a5e n THR 137 Ca 0.02 -0.16 -0.40 0.00 -3.05 0.00 0.00 64.05 60.46 1a5e n THR 137 Cb 0.54 -1.05 -0.11 0.00 -1.55 0.00 0.00 70.33 68.16 1a5e n THR 137 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1a5e s ARG 138 N -0.09 3.26 0.00 1.09 1.81 -1.26 -4.99 118.95 118.77 1a5e s ARG 138 Ca 0.75 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1a5e s ARG 138 Cb -0.81 -3.69 0.00 0.00 -0.45 0.00 0.00 34.95 30.00 1a5e s ARG 138 CO 0.49 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 175.02 1a5e n GLY 139 N 5.03 -1.34 0.07 -3.53 0.00 -1.26 -4.92 105.19 99.23 1a5e n GLY 139 Ca -0.13 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 1a5e n GLY 139 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5e n SER 140 N 3.00 1.85 -0.90 1.61 2.88 -1.26 -4.84 113.62 115.97 1a5e n SER 140 Ca 0.00 -0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.47 1a5e n SER 140 Cb 0.00 0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 64.09 1a5e n SER 140 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1a5e n ASN 141 N -2.56 -0.80 -0.02 -3.46 2.85 -1.26 -4.97 115.26 105.04 1a5e n ASN 141 Ca -0.23 -1.71 -0.16 0.00 -0.11 0.00 0.00 54.58 52.37 1a5e n ASN 141 Cb 0.92 0.24 -0.13 0.00 1.24 0.00 0.00 39.78 42.05 1a5e n ASN 141 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 1a5e h HIS 142 N 0.00 0.24 -4.84 1.20 2.76 -1.91 -3.46 115.15 109.14 1a5e h HIS 142 Ca -0.46 -0.15 -0.43 0.00 -2.20 0.00 0.00 60.37 57.13 1a5e h HIS 142 Cb 1.28 -0.02 0.11 0.00 1.55 0.00 0.00 27.41 30.33 1a5e h HIS 142 CO -0.18 1.04 0.22 0.00 -1.30 0.00 0.00 177.93 177.71 1a5e n ALA 143 N -2.59 -0.41 -1.61 5.26 0.00 -1.26 -4.94 120.51 114.95 1a5e n ALA 143 Ca -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1a5e n ALA 143 Cb 0.57 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1a5e n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a5e n ARG 144 N -3.11 -4.32 -2.02 0.00 3.00 -1.26 -4.88 116.66 104.06 1a5e n ARG 144 Ca 0.16 3.32 -0.31 0.00 -0.01 0.00 0.00 57.85 61.01 1a5e n ARG 144 Cb 0.56 -4.06 0.00 0.00 0.00 0.00 0.00 32.46 28.96 1a5e n ARG 144 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1a5e s ILE 145 N -5.01 4.68 0.99 0.55 2.07 -1.26 -5.01 121.20 118.21 1a5e s ILE 145 Ca 0.00 0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 60.00 1a5e s ILE 145 Cb 0.00 -3.84 0.00 0.00 0.13 0.00 0.00 42.46 38.75 1a5e s ILE 145 CO 0.00 -1.04 0.00 0.47 -1.91 0.00 0.00 174.94 172.47 1a5e n ASP 146 N -2.47 -2.95 -2.71 4.50 8.00 -1.26 -4.98 116.55 114.67 1a5e n ASP 146 Ca 0.06 0.21 -0.07 0.00 0.71 0.00 0.00 54.79 55.70 1a5e n ASP 146 Cb 0.54 -1.04 0.08 0.00 -0.02 0.00 0.00 41.12 40.68 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5e n ALA 147 N -3.52 -1.97 -1.77 2.24 0.00 -1.26 -5.14 120.51 109.09 1a5e n ALA 147 Ca 0.04 -1.01 -0.38 0.00 0.00 0.00 0.00 53.44 52.08 1a5e n ALA 147 Cb 0.57 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 1a5e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e s ALA 148 N 0.32 3.09 0.18 0.00 0.00 -1.26 -4.98 121.76 119.10 1a5e s ALA 148 Ca 0.25 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1a5e s ALA 148 Cb 0.26 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1a5e s ALA 148 CO -0.15 -0.68 0.96 -1.21 0.00 0.00 0.00 175.76 174.69 1a5e s GLU 149 N -2.47 4.77 -0.23 0.00 8.01 -1.26 -5.01 118.70 122.51 1a5e s GLU 149 Ca 0.60 1.49 -0.21 0.00 0.01 0.00 0.00 54.97 56.86 1a5e s GLU 149 Cb -0.32 -3.32 -0.02 0.00 -4.31 0.00 0.00 34.13 26.16 1a5e s GLU 149 CO 0.39 0.36 0.66 0.20 0.01 0.00 0.00 175.26 176.89 1a5e s GLY 150 N -0.61 1.88 0.00 -1.39 0.00 -1.26 -4.91 107.32 101.02 1a5e s GLY 150 Ca 0.44 -0.33 0.13 0.00 0.00 0.00 0.00 44.72 44.96 1a5e s GLY 150 CO 0.31 1.47 1.50 -1.55 0.00 0.00 0.00 173.10 174.83 1a5e n PRO 151 N 5.55 0.98 -0.00 2.90 -0.04 -1.26 -3.18 135.00 139.96 1a5e n PRO 151 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1a5e n PRO 151 Cb 0.49 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1a5e n PRO 151 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a5e n SER 152 N -0.71 1.45 -4.45 3.54 7.64 -1.26 -5.04 113.62 114.79 1a5e n SER 152 Ca 0.10 -0.41 -0.39 0.00 1.01 0.00 0.00 58.87 59.18 1a5e n SER 152 Cb 0.05 1.10 0.03 0.00 -1.01 0.00 0.00 64.21 64.37 1a5e n SER 152 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a5e n ASP 153 N -1.34 -1.25 -4.14 6.43 2.03 -1.19 -4.95 116.55 112.14 1a5e n ASP 153 Ca 0.00 0.75 -0.34 0.00 0.52 0.00 0.00 54.79 55.72 1a5e n ASP 153 Cb 0.11 -1.14 -0.14 0.00 -0.72 0.00 0.00 41.12 39.23 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1a5e s ILE 154 N -1.72 2.67 -0.37 5.18 1.01 -1.26 -5.07 121.20 121.64 1a5e s ILE 154 Ca 0.67 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1a5e s ILE 154 Cb -0.47 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1a5e s ILE 154 CO 0.56 -0.05 1.40 -2.16 0.00 0.00 0.00 174.94 174.69 1a5e s PRO 155 N 1.20 3.68 0.00 2.79 0.04 -1.26 -5.30 135.00 136.16 1a5e s PRO 155 Ca -0.06 1.07 0.30 0.00 0.04 0.00 0.00 61.00 62.35 1a5e s PRO 155 Cb -0.20 -3.98 1.39 0.00 0.04 0.00 0.00 34.50 31.75 1a5e s PRO 155 CO -0.03 -1.42 1.94 -0.25 0.04 0.00 0.00 177.00 177.28