#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e s GLU 2 N 0.00 3.20 1.20 2.12 2.02 -1.26 -5.07 118.70 120.91 1a5e s GLU 2 Ca 0.00 -3.21 -0.20 0.00 0.02 0.00 0.00 54.97 51.58 1a5e s GLU 2 Cb 0.00 -3.93 0.29 0.00 0.10 0.00 0.00 34.13 30.59 1a5e s GLU 2 CO 0.00 -1.26 1.15 -1.25 0.02 0.00 0.00 175.26 173.92 1a5e s PRO 3 N -1.23 -1.19 -0.13 0.39 0.04 -1.26 -4.66 135.00 126.95 1a5e s PRO 3 Ca 0.26 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1a5e s PRO 3 Cb -0.08 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1a5e s PRO 3 CO -0.12 -3.66 0.03 0.00 0.04 0.00 0.00 177.00 173.29 1a5e n ALA 4 N -4.69 -2.61 -3.64 8.56 0.00 -1.26 -5.04 120.51 111.84 1a5e n ALA 4 Ca 0.15 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1a5e n ALA 4 Cb 0.60 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.07 -1.97 0.00 0.00 0.00 -1.26 -4.99 121.76 112.47 1a5e s ALA 5 Ca -0.03 1.95 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1a5e s ALA 5 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1a5e s ALA 5 CO 0.37 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1a5e n GLY 6 N 2.49 3.28 3.23 0.00 0.00 -1.26 -5.08 105.19 107.85 1a5e n GLY 6 Ca -0.13 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5e n SER 7 N 0.54 -2.99 -0.07 1.61 3.41 -1.26 -4.99 113.62 109.87 1a5e n SER 7 Ca 0.00 -0.44 -0.12 0.00 -0.26 0.00 0.00 58.87 58.04 1a5e n SER 7 Cb 0.00 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 62.91 1a5e n SER 7 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5e n SER 8 N -3.53 2.06 -1.05 4.04 2.88 -1.26 -5.12 113.62 111.64 1a5e n SER 8 Ca 0.06 0.04 0.14 0.00 -1.33 0.00 0.00 58.87 57.78 1a5e n SER 8 Cb 0.53 -0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1a5e n SER 8 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1a5e n MET 9 N -3.25 -2.21 -3.06 -1.46 0.00 -1.26 -4.97 117.12 100.92 1a5e n MET 9 Ca -0.26 1.56 -0.03 0.00 0.00 0.00 0.00 57.70 58.96 1a5e n MET 9 Cb 0.73 -2.66 0.00 0.00 0.00 0.00 0.00 33.22 31.30 1a5e n MET 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1a5e n GLU 10 N -3.60 -1.57 -1.26 2.12 2.13 -1.26 -4.97 120.64 112.23 1a5e n GLU 10 Ca -0.01 1.60 -0.30 0.00 0.66 0.00 0.00 57.16 59.11 1a5e n GLU 10 Cb 0.49 -5.53 0.13 0.00 0.27 0.00 0.00 31.44 26.79 1a5e n GLU 10 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1a5e s PRO 11 N -3.00 1.51 0.04 5.31 0.04 -1.26 -4.94 135.00 132.69 1a5e s PRO 11 Ca 0.06 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1a5e s PRO 11 Cb -0.02 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1a5e s PRO 11 CO 0.76 -2.08 1.59 -1.12 0.04 0.00 0.00 177.00 176.19 1a5e s SER 12 N -3.48 6.67 0.00 6.66 0.01 -1.26 -4.48 113.70 117.82 1a5e s SER 12 Ca 0.63 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.26 1a5e s SER 12 Cb -0.17 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1a5e s SER 12 CO 0.56 -0.85 0.00 0.00 0.41 0.00 0.00 173.24 173.37 1a5e n ALA 13 N 5.64 0.00 0.44 1.44 0.00 -1.26 -4.43 120.51 122.34 1a5e n ALA 13 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1a5e n ALA 13 Cb 0.41 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.15 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5e h ASP 14 N 0.00 0.00 0.99 0.00 5.19 -1.97 -3.17 116.42 117.45 1a5e h ASP 14 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1a5e h ASP 14 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1a5e h ASP 14 CO 0.00 0.01 0.00 0.79 -3.12 0.00 0.00 179.24 176.92 1a5e n TRP 15 N -2.62 0.00 -0.03 4.55 7.02 -1.26 -3.01 117.44 122.09 1a5e n TRP 15 Ca 0.05 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.40 1a5e n TRP 15 Cb 0.48 -0.50 -0.11 0.00 -2.42 0.00 0.00 31.31 28.76 1a5e n TRP 15 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1a5e h LEU 16 N 0.00 -0.02 -0.11 -0.99 5.85 -1.94 -2.73 115.31 115.37 1a5e h LEU 16 Ca 0.00 -0.69 -0.03 0.00 0.84 0.00 0.00 57.88 58.00 1a5e h LEU 16 Cb 0.49 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1a5e h LEU 16 CO 0.00 0.70 -0.05 0.00 -0.34 0.00 0.00 178.44 178.75 1a5e h ALA 17 N 0.15 0.15 -0.47 1.25 0.00 -1.75 -2.62 119.26 115.98 1a5e h ALA 17 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1a5e h ALA 17 Cb 0.71 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1a5e h ALA 17 CO 0.00 -0.07 -0.10 1.79 0.00 0.00 0.00 179.25 180.87 1a5e h THR 18 N -0.14 0.55 0.57 0.00 1.35 -1.66 -0.90 112.91 112.68 1a5e h THR 18 Ca 0.02 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 1a5e h THR 18 Cb 0.51 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1a5e h THR 18 CO 0.02 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 175.01 1a5e h ALA 19 N 1.46 -0.78 -0.83 6.62 0.00 -1.47 0.57 119.26 124.82 1a5e h ALA 19 Ca 0.23 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1a5e h ALA 19 Cb 0.34 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 1a5e h ALA 19 CO -0.47 -0.94 0.28 0.00 0.00 0.00 0.00 179.25 178.12 1a5e h ALA 20 N -0.35 1.20 0.02 0.00 0.00 -1.05 0.38 119.26 119.47 1a5e h ALA 20 Ca -0.08 0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1a5e h ALA 20 Cb 0.60 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a5e h ALA 20 CO 0.13 -0.35 -0.94 0.00 0.00 0.00 0.00 179.25 178.09 1a5e h ALA 21 N 1.68 0.46 -0.55 0.00 0.00 -0.87 1.39 119.26 121.37 1a5e h ALA 21 Ca 0.50 -0.78 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 1a5e h ALA 21 Cb 0.91 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1a5e h ALA 21 CO -0.54 1.00 0.39 -2.13 0.00 0.00 0.00 179.25 177.97 1a5e n ARG 22 N -3.57 1.74 -3.47 0.00 0.63 0.20 -4.46 116.66 107.73 1a5e n ARG 22 Ca -0.03 -1.69 -0.16 0.00 -0.92 0.00 0.00 57.85 55.05 1a5e n ARG 22 Cb 0.86 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5e n GLY 23 N -0.28 -1.19 2.62 5.14 0.00 -0.89 -4.94 105.19 105.66 1a5e n GLY 23 Ca 0.33 0.63 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.04 1.42 -0.36 1.61 3.00 -0.60 -4.92 116.66 114.77 1a5e n ARG 24 Ca -0.17 -3.41 0.27 0.00 -0.01 0.00 0.00 57.85 54.52 1a5e n ARG 24 Cb 0.61 -1.38 0.53 0.00 0.00 0.00 0.00 32.46 32.22 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 2.88 0.36 -0.11 1.55 2.07 -1.92 0.16 116.25 121.24 1a5e h VAL 25 Ca -0.04 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1a5e h VAL 25 Cb 1.14 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1a5e h VAL 25 CO 0.54 0.06 -0.17 -0.33 0.02 0.00 0.00 177.57 177.69 1a5e h GLU 26 N 0.30 0.31 -0.56 1.57 3.07 -1.98 -1.91 114.58 115.39 1a5e h GLU 26 Ca 0.70 -0.19 0.03 0.00 -0.50 0.00 0.00 59.36 59.40 1a5e h GLU 26 Cb 1.83 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.72 1a5e h GLU 26 CO -0.42 0.76 0.33 1.49 -1.40 0.00 0.00 179.01 179.77 1a5e h GLU 27 N -0.12 0.62 -0.24 2.33 4.22 -1.14 -2.19 114.58 118.06 1a5e h GLU 27 Ca 0.01 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 1a5e h GLU 27 Cb 0.73 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1a5e h GLU 27 CO 0.04 0.41 0.01 0.28 -2.18 0.00 0.00 179.01 177.57 1a5e h VAL 28 N 0.64 1.25 -0.66 0.32 2.07 -1.24 0.85 116.25 119.49 1a5e h VAL 28 Ca 0.23 -0.88 0.13 0.00 0.82 0.00 0.00 66.70 67.00 1a5e h VAL 28 Cb 0.05 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1a5e h VAL 28 CO -0.11 0.28 0.18 -0.09 0.02 0.00 0.00 177.57 177.84 1a5e h ARG 29 N 0.21 0.30 -0.18 1.57 9.65 -1.02 1.21 114.38 126.12 1a5e h ARG 29 Ca 0.07 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.72 1a5e h ARG 29 Cb 0.40 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1a5e h ARG 29 CO 0.01 0.20 -0.74 0.00 2.80 0.00 0.00 179.97 182.24 1a5e h ALA 30 N 1.52 0.34 0.44 2.80 0.00 -1.28 -2.83 119.26 120.26 1a5e h ALA 30 Ca 0.36 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1a5e h ALA 30 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a5e h ALA 30 CO -0.42 0.69 -0.21 -0.07 0.00 0.00 0.00 179.25 179.23 1a5e h LEU 31 N 0.56 -0.50 -0.48 0.00 3.38 0.70 -1.94 115.31 117.03 1a5e h LEU 31 Ca -0.04 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1a5e h LEU 31 Cb 1.36 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 1a5e h LEU 31 CO 0.15 -0.14 -0.14 -0.07 0.09 0.00 0.00 178.44 178.33 1a5e h LEU 32 N -0.91 -0.51 -0.75 1.67 3.38 0.13 0.56 115.31 118.89 1a5e h LEU 32 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a5e h LEU 32 Cb 0.57 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1a5e h LEU 32 CO 0.10 -0.18 0.00 -0.62 0.09 0.00 0.00 178.44 177.83 1a5e n GLU 33 N -5.36 0.13 0.01 1.13 1.02 -1.07 -1.90 120.64 114.61 1a5e n GLU 33 Ca 0.04 0.47 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 1a5e n GLU 33 Cb 0.27 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 30.02 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5e n ALA 34 N -1.71 3.59 0.00 0.62 0.00 0.19 -4.92 120.51 118.29 1a5e n ALA 34 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1a5e n ALA 34 Cb 0.14 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.45 1.20 3.71 0.00 0.00 -0.80 -5.07 105.19 105.68 1a5e n GLY 35 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.85 1.62 -0.34 4.61 0.00 -1.09 -4.85 121.76 119.86 1a5e s ALA 36 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1a5e s ALA 36 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1a5e s ALA 36 CO 0.00 -2.36 0.57 -1.17 0.00 0.00 0.00 175.76 172.80 1a5e s LEU 37 N -6.29 4.28 0.40 0.00 2.96 -1.26 -4.92 118.68 113.85 1a5e s LEU 37 Ca 0.64 0.10 0.16 0.00 -0.22 0.00 0.00 54.13 54.81 1a5e s LEU 37 Cb -0.19 -2.69 0.86 0.00 0.50 0.00 0.00 46.19 44.67 1a5e s LEU 37 CO 0.57 -0.52 1.87 1.55 -1.32 0.00 0.00 176.35 178.50 1a5e h PRO 38 N 8.42 0.00 -2.12 0.98 0.13 -1.93 -3.29 132.00 134.19 1a5e h PRO 38 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 1a5e h PRO 38 Cb 1.12 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.84 1a5e h PRO 38 CO 0.80 0.32 -0.87 0.09 -0.23 0.00 0.00 178.00 178.11 1a5e n ASN 39 N -3.96 2.26 -4.53 1.44 5.03 -1.26 -4.28 115.26 109.97 1a5e n ASN 39 Ca -0.02 -3.18 -0.43 0.00 0.87 0.00 0.00 54.58 51.83 1a5e n ASN 39 Cb 0.38 -0.63 -0.05 0.00 -1.02 0.00 0.00 39.78 38.46 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 -2.24 3.26 -0.80 5.41 0.00 -1.24 -4.97 121.76 121.17 1a5e s ALA 40 Ca 0.40 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 1a5e s ALA 40 Cb 0.21 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1a5e s ALA 40 CO -0.08 -2.06 1.81 -1.25 0.00 0.00 0.00 175.76 174.19 1a5e s PRO 41 N 3.41 2.74 0.35 0.00 0.04 -1.26 -4.92 135.00 135.35 1a5e s PRO 41 Ca 0.29 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.28 1a5e s PRO 41 Cb -0.13 -4.79 0.07 0.00 0.04 0.00 0.00 34.50 29.69 1a5e s PRO 41 CO 0.21 -2.93 0.48 0.27 0.04 0.00 0.00 177.00 175.06 1a5e n ASN 42 N 12.66 0.75 -0.51 6.66 6.94 -1.26 -4.99 115.26 135.52 1a5e n ASN 42 Ca 0.30 -1.61 0.09 0.00 -0.02 0.00 0.00 54.58 53.34 1a5e n ASN 42 Cb 0.49 -0.30 0.34 0.00 -2.36 0.00 0.00 39.78 37.95 1a5e n ASN 42 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1a5e n SER 43 N -2.89 1.51 -0.25 0.53 3.41 -1.26 -3.75 113.62 110.91 1a5e n SER 43 Ca 0.08 -1.75 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 1a5e n SER 43 Cb 0.29 -0.12 0.30 0.00 -0.26 0.00 0.00 64.21 64.42 1a5e n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5e n TYR 44 N 0.24 0.00 -1.69 7.33 9.36 -1.26 -4.91 117.16 126.22 1a5e n TYR 44 Ca 0.15 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 1a5e n TYR 44 Cb 0.29 -0.11 -0.04 0.00 -0.63 0.00 0.00 39.34 38.84 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1a5e n GLY 45 N 1.37 0.78 3.40 2.98 0.00 -1.25 -4.92 105.19 107.55 1a5e n GLY 45 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1a5e n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 46 N -3.68 2.91 1.18 1.61 1.81 -1.26 -4.81 118.95 116.71 1a5e s ARG 46 Ca 0.00 -0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 53.16 1a5e s ARG 46 Cb 0.00 -2.46 0.29 0.00 -0.45 0.00 0.00 34.95 32.33 1a5e s ARG 46 CO 0.00 0.40 1.02 1.03 -0.68 0.00 0.00 175.30 177.08 1a5e s ARG 47 N -0.16 -1.04 0.53 3.54 1.81 -1.26 -4.81 118.95 117.56 1a5e s ARG 47 Ca -0.01 0.88 0.30 0.00 -1.72 0.00 0.00 55.73 55.18 1a5e s ARG 47 Cb -0.14 -1.54 1.46 0.00 -0.45 0.00 0.00 34.95 34.29 1a5e s ARG 47 CO 0.03 -3.82 2.05 -1.00 -0.68 0.00 0.00 175.30 171.89 1a5e h PRO 48 N -2.69 0.00 0.00 3.54 0.13 -1.89 -3.07 132.00 128.01 1a5e h PRO 48 Ca -0.62 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.28 1a5e h PRO 48 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1a5e h PRO 48 CO 0.50 0.10 -1.87 -0.89 -0.23 0.00 0.00 178.00 175.61 1a5e n ILE 49 N -3.43 0.87 0.33 -3.56 5.41 -1.26 -4.07 119.36 113.64 1a5e n ILE 49 Ca -0.01 -0.41 0.14 0.00 1.00 0.00 0.00 62.75 63.47 1a5e n ILE 49 Cb 0.26 -0.91 0.74 0.00 -0.71 0.00 0.00 39.64 39.02 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 -1.85 0.65 115.11 118.33 1a5e h GLN 50 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1a5e h GLN 50 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.31 1a5e h GLN 50 CO -0.03 0.00 0.00 1.55 -1.93 0.00 0.00 178.83 178.42 1a5e n VAL 51 N -2.83 0.28 -1.68 2.39 3.14 -1.16 -4.87 118.33 113.59 1a5e n VAL 51 Ca -0.02 -0.64 -0.30 0.00 -2.96 0.00 0.00 64.34 60.42 1a5e n VAL 51 Cb 0.43 1.04 0.08 0.00 -1.06 0.00 0.00 33.84 34.32 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 -0.97 2.30 -0.61 1.45 0.23 0.23 -3.07 119.30 118.85 1a5e s MET 52 Ca 0.16 0.54 -0.26 0.00 -1.03 0.00 0.00 55.69 55.10 1a5e s MET 52 Cb 0.10 -1.95 -0.09 0.00 -1.53 0.00 0.00 34.83 31.37 1a5e s MET 52 CO 0.15 -1.45 2.36 1.41 -2.03 0.00 0.00 175.02 175.46 1a5e s MET 53 N -5.25 1.98 0.24 3.16 -2.45 0.48 -4.69 119.30 112.77 1a5e s MET 53 Ca 0.60 1.02 0.13 0.00 -1.25 0.00 0.00 55.69 56.19 1a5e s MET 53 Cb -0.13 -4.65 0.71 0.00 1.25 0.00 0.00 34.83 32.00 1a5e s MET 53 CO 0.53 -3.62 1.33 -1.33 1.05 0.00 0.00 175.02 172.98 1a5e n MET 54 N 8.96 0.09 -0.18 4.11 2.81 -1.26 0.10 117.12 131.75 1a5e n MET 54 Ca 0.39 0.55 0.07 0.00 -1.81 0.00 0.00 57.70 56.90 1a5e n MET 54 Cb 0.51 -1.92 0.21 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.31 0.75 2.52 3.03 0.00 -1.26 -4.57 105.19 104.36 1a5e n GLY 55 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1a5e n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5e s SER 56 N -1.11 3.00 0.61 1.61 0.15 0.28 -4.97 113.70 113.28 1a5e s SER 56 Ca 0.27 -2.40 0.32 0.00 0.70 0.00 0.00 55.95 54.84 1a5e s SER 56 Cb 0.14 -0.57 1.89 0.00 -1.71 0.00 0.00 66.02 65.78 1a5e s SER 56 CO 0.19 -0.28 2.24 0.00 1.20 0.00 0.00 173.24 176.59 1a5e h ALA 57 N 6.79 1.49 -0.39 5.45 0.00 -1.80 -2.65 119.26 128.14 1a5e h ALA 57 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1a5e h ALA 57 Cb 0.95 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1a5e h ALA 57 CO 0.33 -0.06 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 1a5e h ARG 58 N 0.00 0.00 0.37 0.00 3.08 -1.93 -2.39 114.38 113.52 1a5e h ARG 58 Ca 0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1a5e h ARG 58 Cb 0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1a5e h ARG 58 CO -0.00 0.00 -0.33 0.28 -1.07 0.00 0.00 179.97 178.85 1a5e h VAL 59 N 0.00 0.31 -0.85 2.04 2.07 -1.83 -2.86 116.25 115.14 1a5e h VAL 59 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1a5e h VAL 59 Cb 0.29 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 1a5e h VAL 59 CO -0.40 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 176.69 1a5e h ALA 60 N -0.24 -0.32 -0.69 1.67 0.00 -1.56 0.23 119.26 118.36 1a5e h ALA 60 Ca -0.03 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1a5e h ALA 60 Cb 0.64 1.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.46 1a5e h ALA 60 CO -0.04 -0.85 -0.08 1.49 0.00 0.00 0.00 179.25 179.78 1a5e h GLU 61 N -0.09 0.05 0.00 0.00 4.81 -1.26 1.77 114.58 119.87 1a5e h GLU 61 Ca 0.21 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1a5e h GLU 61 Cb 0.51 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1a5e h GLU 61 CO -0.87 0.03 0.00 -0.11 -0.73 0.00 0.00 179.01 177.34 1a5e n LEU 62 N -5.38 0.00 -0.01 1.64 0.00 0.77 0.68 117.00 114.69 1a5e n LEU 62 Ca 0.10 0.95 -0.11 0.00 0.00 0.00 0.00 56.01 56.96 1a5e n LEU 62 Cb 0.39 -0.45 -0.05 0.00 0.00 0.00 0.00 43.42 43.31 1a5e n LEU 62 CO 0.05 -0.45 0.92 -0.07 0.00 0.00 0.00 177.39 177.84 1a5e h LEU 63 N 0.00 0.15 0.00 -1.96 3.38 -1.06 -1.68 115.31 114.15 1a5e h LEU 63 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a5e h LEU 63 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1a5e h LEU 63 CO 0.00 0.11 -0.02 0.25 0.09 0.00 0.00 178.44 178.86 1a5e h LEU 64 N 0.17 -0.08 -1.98 1.67 7.12 0.29 1.08 115.31 123.60 1a5e h LEU 64 Ca 0.05 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.16 1a5e h LEU 64 Cb -0.02 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1a5e h LEU 64 CO -0.01 -0.03 0.42 0.17 -0.13 0.00 0.00 178.44 178.87 1a5e h LEU 65 N -0.03 0.00 0.07 2.25 8.10 0.21 -1.54 115.31 124.37 1a5e h LEU 65 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1a5e h LEU 65 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1a5e h LEU 65 CO -0.01 0.00 -0.03 0.45 -4.11 0.00 0.00 178.44 174.73 1a5e h HIS 66 N 0.00 -0.09 0.00 0.17 3.86 -0.13 -3.48 115.15 115.48 1a5e h HIS 66 Ca 0.16 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1a5e h HIS 66 Cb 1.01 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1a5e h HIS 66 CO 0.00 0.35 0.00 0.41 0.86 0.00 0.00 177.93 179.55 1a5e n GLY 67 N 1.29 0.00 0.00 2.45 0.00 0.36 -5.05 105.19 104.24 1a5e n GLY 67 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.51 4.61 0.00 -0.08 -4.44 120.51 117.08 1a5e n ALA 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1a5e n ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1a5e n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5e n GLU 69 N 0.00 2.72 0.00 0.00 1.02 -1.26 -4.84 120.64 118.28 1a5e n GLU 69 Ca 0.00 -4.57 0.00 0.00 -0.02 0.00 0.00 57.16 52.57 1a5e n GLU 69 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a5e n PRO 70 N 1.51 0.93 0.13 3.49 -0.04 -1.26 -4.23 135.00 135.53 1a5e n PRO 70 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1a5e n PRO 70 Cb 0.38 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1a5e n PRO 70 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1a5e n ASN 71 N -0.49 -0.14 -4.32 3.54 6.94 -1.26 -4.23 115.26 115.29 1a5e n ASN 71 Ca 0.00 0.46 -0.37 0.00 -0.02 0.00 0.00 54.58 54.64 1a5e n ASN 71 Cb 0.00 0.37 0.04 0.00 -2.36 0.00 0.00 39.78 37.84 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a5e n ALA 73 N -2.00 0.00 -2.41 0.00 0.00 -1.26 -4.36 120.51 110.48 1a5e n ALA 73 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 73 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 0.80 6.91 0.00 0.00 -1.08 -1.26 -4.91 116.67 117.13 1a5e s ASP 74 Ca 0.00 1.09 0.25 0.00 -0.52 0.00 0.00 52.55 53.37 1a5e s ASP 74 Cb 0.00 -2.30 1.52 0.00 -1.46 0.00 0.00 42.92 40.68 1a5e s ASP 74 CO 0.00 0.30 1.93 -0.81 0.52 0.00 0.00 175.17 177.11 1a5e n PRO 75 N 1.74 0.92 -0.13 4.34 -0.04 -1.26 0.16 135.00 140.74 1a5e n PRO 75 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1a5e n PRO 75 Cb 0.52 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.93 1.44 -0.45 0.55 0.00 -1.26 -4.67 120.51 115.19 1a5e n ALA 76 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1a5e n ALA 76 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1a5e n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a5e n THR 77 N -3.23 0.11 -1.45 0.00 -1.04 -1.22 -4.92 114.28 102.54 1a5e n THR 77 Ca -0.45 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.05 61.14 1a5e n THR 77 Cb 1.00 1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 70.78 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a5e n LEU 78 N -0.06 -0.62 -4.56 -4.42 4.77 0.43 -0.70 117.00 111.84 1a5e n LEU 78 Ca 0.00 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1a5e n LEU 78 Cb 0.16 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 1a5e n LEU 78 CO 0.00 -0.37 1.99 0.41 -1.33 0.00 0.00 177.39 178.09 1a5e n THR 79 N -1.81 0.03 -1.83 -5.08 -1.04 -1.26 -4.31 114.28 98.98 1a5e n THR 79 Ca -0.08 -0.68 -0.31 0.00 -2.04 0.00 0.00 64.05 60.93 1a5e n THR 79 Cb 0.32 -2.65 0.02 0.00 -1.82 0.00 0.00 70.33 66.20 1a5e n THR 79 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1a5e s ARG 80 N 7.78 3.39 0.23 -2.82 0.52 -1.26 -4.08 118.95 122.71 1a5e s ARG 80 Ca 1.00 0.87 0.21 0.00 -0.52 0.00 0.00 55.73 57.30 1a5e s ARG 80 Cb -0.27 -2.05 0.93 0.00 0.52 0.00 0.00 34.95 34.08 1a5e s ARG 80 CO 0.30 -0.74 1.65 -0.35 0.02 0.00 0.00 175.30 176.18 1a5e n PRO 81 N -2.72 0.16 0.19 3.54 -0.04 -1.26 -2.20 135.00 132.67 1a5e n PRO 81 Ca 0.07 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 64.01 1a5e n PRO 81 Cb 0.54 -1.83 0.40 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.11 -0.19 0.52 2.07 -1.86 -2.93 116.25 114.96 1a5e h VAL 82 Ca 0.00 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 1a5e h VAL 82 Cb 0.28 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1a5e h VAL 82 CO 0.00 0.34 -0.29 0.45 0.02 0.00 0.00 177.57 178.09 1a5e h HIS 83 N 0.00 0.67 -0.68 1.57 3.86 -1.78 -3.11 115.15 115.68 1a5e h HIS 83 Ca -0.00 -0.22 0.15 0.00 -1.16 0.00 0.00 60.37 59.13 1a5e h HIS 83 Cb 0.68 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 28.91 1a5e h HIS 83 CO 0.00 0.94 0.08 -0.44 0.86 0.00 0.00 177.93 179.37 1a5e h ASP 84 N 0.21 -0.15 0.34 2.45 3.32 -1.64 1.49 116.42 122.43 1a5e h ASP 84 Ca 0.02 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1a5e h ASP 84 Cb 0.87 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1a5e h ASP 84 CO 0.07 -0.08 -0.16 0.00 -1.72 0.00 0.00 179.24 177.34 1a5e h ALA 85 N 1.59 -1.01 -0.76 3.45 0.00 -1.57 -2.85 119.26 118.11 1a5e h ALA 85 Ca 0.37 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1a5e h ALA 85 Cb 0.62 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1a5e h ALA 85 CO -0.53 -0.98 0.39 0.00 0.00 0.00 0.00 179.25 178.13 1a5e h ALA 86 N -1.75 1.08 -0.94 0.00 0.00 -1.42 0.01 119.26 116.23 1a5e h ALA 86 Ca -0.05 0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.18 1a5e h ALA 86 Cb 0.35 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 1a5e h ALA 86 CO 0.08 -0.02 0.44 -0.09 0.00 0.00 0.00 179.25 179.65 1a5e h ARG 87 N 0.65 0.34 -0.02 0.00 9.65 0.21 0.64 114.38 125.85 1a5e h ARG 87 Ca 0.38 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1a5e h ARG 87 Cb 0.42 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1a5e h ARG 87 CO -0.28 0.23 -0.19 0.39 2.80 0.00 0.00 179.97 182.92 1a5e n GLU 88 N -5.07 1.63 -2.41 0.20 -0.58 -0.59 -4.96 120.64 108.86 1a5e n GLU 88 Ca 0.26 -1.24 -0.04 0.00 -0.42 0.00 0.00 57.16 55.72 1a5e n GLU 88 Cb 0.78 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5e n GLY 89 N 1.34 0.38 3.06 0.62 0.00 0.22 -4.97 105.19 105.84 1a5e n GLY 89 Ca 0.13 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.07 3.49 0.23 1.61 2.19 -0.21 -4.93 117.98 117.29 1a5e s PHE 90 Ca 0.03 -2.79 -0.02 0.00 0.33 0.00 0.00 56.93 54.48 1a5e s PHE 90 Cb -0.01 -3.07 0.24 0.00 -1.31 0.00 0.00 43.02 38.87 1a5e s PHE 90 CO 0.15 -0.88 1.63 1.25 1.83 0.00 0.00 175.22 179.20 1a5e h LEU 91 N 7.34 0.66 -0.02 6.12 6.46 -1.93 -2.84 115.31 131.10 1a5e h LEU 91 Ca -0.07 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1a5e h LEU 91 Cb 0.98 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 1a5e h LEU 91 CO 0.66 0.92 -0.48 0.44 -0.62 0.00 0.00 178.44 179.36 1a5e h ASP 92 N 0.55 -1.47 -0.72 1.25 5.19 -1.98 0.37 116.42 119.60 1a5e h ASP 92 Ca 0.07 0.17 0.12 0.00 -0.62 0.00 0.00 57.03 56.77 1a5e h ASP 92 Cb 0.78 0.57 -0.08 0.00 0.18 0.00 0.00 39.33 40.78 1a5e h ASP 92 CO 0.06 -0.49 0.30 0.74 -3.12 0.00 0.00 179.24 176.74 1a5e h THR 93 N -0.62 0.73 -0.01 0.35 2.02 -1.85 0.22 112.91 113.75 1a5e h THR 93 Ca 0.03 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1a5e h THR 93 Cb 0.69 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1a5e h THR 93 CO -0.35 0.09 -0.21 0.25 0.37 0.00 0.00 175.52 175.67 1a5e h LEU 94 N 0.48 -0.62 -1.00 2.58 5.85 -0.83 0.33 115.31 122.11 1a5e h LEU 94 Ca 0.38 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.27 1a5e h LEU 94 Cb 0.51 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 1a5e h LEU 94 CO -0.35 -0.27 0.64 0.58 -0.34 0.00 0.00 178.44 178.69 1a5e h VAL 95 N -0.33 1.02 -0.80 1.05 2.07 0.11 -0.25 116.25 119.12 1a5e h VAL 95 Ca 0.06 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1a5e h VAL 95 Cb 0.41 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1a5e h VAL 95 CO -0.20 0.20 0.36 0.58 0.02 0.00 0.00 177.57 178.53 1a5e h VAL 96 N 1.10 1.26 0.72 2.57 2.07 0.10 -0.99 116.25 123.08 1a5e h VAL 96 Ca 0.45 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1a5e h VAL 96 Cb 0.28 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1a5e h VAL 96 CO -0.21 0.32 -0.35 -0.07 0.02 0.00 0.00 177.57 177.28 1a5e h LEU 97 N 1.15 -0.82 -1.66 2.57 3.38 0.13 -2.30 115.31 117.76 1a5e h LEU 97 Ca 0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1a5e h LEU 97 Cb 0.16 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1a5e h LEU 97 CO -0.03 -0.52 0.25 -0.74 0.09 0.00 0.00 178.44 177.49 1a5e h HIS 98 N -1.11 0.00 -0.17 1.13 2.76 -1.21 -0.45 115.15 116.09 1a5e h HIS 98 Ca -0.10 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.86 1a5e h HIS 98 Cb 0.74 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.71 1a5e h HIS 98 CO 0.03 0.00 -0.72 -0.09 -1.30 0.00 0.00 177.93 175.85 1a5e h ARG 99 N 0.00 0.74 -2.30 5.26 2.43 -0.59 -3.37 114.38 116.55 1a5e h ARG 99 Ca 0.00 -0.57 -0.61 0.00 -0.81 0.00 0.00 59.98 57.98 1a5e h ARG 99 Cb 0.49 0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 29.74 1a5e h ARG 99 CO 0.00 1.19 -0.52 0.00 -1.51 0.00 0.00 179.97 179.13 1a5e n ALA 100 N -2.58 4.08 -3.02 2.80 0.00 -0.18 -4.97 120.51 116.63 1a5e n ALA 100 Ca -0.06 -4.76 -0.00 0.00 0.00 0.00 0.00 53.44 48.61 1a5e n ALA 100 Cb 0.71 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 0.96 -1.47 2.50 0.00 0.00 -1.25 -4.85 105.19 101.08 1a5e n GLY 101 Ca 0.29 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.14 0.59 0.34 4.61 0.00 -1.21 -4.47 121.76 120.49 1a5e s ALA 102 Ca -0.01 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.81 1a5e s ALA 102 Cb 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 23.12 21.16 1a5e s ALA 102 CO 0.26 -2.05 0.46 -2.13 0.00 0.00 0.00 175.76 172.30 1a5e n ARG 103 N 3.17 0.33 0.00 0.00 3.00 -1.26 -4.47 116.66 117.44 1a5e n ARG 103 Ca 0.24 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 1a5e n ARG 103 Cb 0.47 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.68 1a5e n ARG 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a5e n LEU 104 N 1.77 0.54 -3.35 6.15 4.32 -1.26 -4.74 117.00 120.43 1a5e n LEU 104 Ca 0.13 -0.54 -0.40 0.00 -0.02 0.00 0.00 56.01 55.18 1a5e n LEU 104 Cb 0.35 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.17 1a5e n LEU 104 CO 0.56 0.13 1.37 -0.90 -1.22 0.00 0.00 177.39 177.33 1a5e n ASP 105 N -0.01 7.19 -0.84 -1.43 5.68 -1.26 -4.49 116.55 121.38 1a5e n ASP 105 Ca 0.00 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.55 1a5e n ASP 105 Cb 0.13 -1.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 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 -0.23 0.00 -3.78 2.12 3.14 -1.26 -5.09 118.33 113.23 1a5e n VAL 106 Ca 0.48 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.73 1a5e n VAL 106 Cb 0.27 -0.25 -0.11 0.00 -1.06 0.00 0.00 33.84 32.69 1a5e n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s ARG 107 N 0.03 0.32 -0.68 1.45 1.70 -1.26 -4.68 118.95 115.82 1a5e s ARG 107 Ca 0.00 0.35 -0.12 0.00 -0.47 0.00 0.00 55.73 55.49 1a5e s ARG 107 Cb 0.00 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 34.44 1a5e s ARG 107 CO 0.00 -0.04 1.86 -3.47 -1.08 0.00 0.00 175.30 172.57 1a5e n ASP 108 N 2.88 3.24 0.00 -2.89 -0.08 -0.18 -4.62 116.55 114.91 1a5e n ASP 108 Ca -0.13 -2.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1a5e n ASP 108 Cb 0.58 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a5e n ALA 109 N 5.64 0.00 -0.07 -1.67 0.00 0.12 -3.91 120.51 120.61 1a5e n ALA 109 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1a5e n ALA 109 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1a5e n ALA 109 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1a5e n TRP 110 N 0.00 0.00 0.00 0.00 8.01 -1.26 -4.88 117.44 119.31 1a5e n TRP 110 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1a5e n TRP 110 Cb 0.00 -0.46 0.00 0.00 -2.01 0.00 0.00 31.31 28.84 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a5e n GLY 111 N -0.99 0.04 3.41 6.99 0.00 -1.25 -5.14 105.19 108.25 1a5e n GLY 111 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1a5e n GLY 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 112 N 0.00 0.36 -4.23 1.61 0.63 -1.26 -4.48 116.66 109.29 1a5e n ARG 112 Ca 0.00 0.13 -0.25 0.00 -0.92 0.00 0.00 57.85 56.82 1a5e n ARG 112 Cb 0.00 -1.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1a5e s LEU 113 N 2.62 3.08 0.26 6.15 1.02 -1.26 -1.01 118.68 129.54 1a5e s LEU 113 Ca 0.62 -1.00 0.01 0.00 0.02 0.00 0.00 54.13 53.78 1a5e s LEU 113 Cb -0.67 -1.43 0.33 0.00 0.02 0.00 0.00 46.19 44.44 1a5e s LEU 113 CO 0.59 -0.37 1.66 1.55 0.02 0.00 0.00 176.35 179.80 1a5e h PRO 114 N 1.62 0.47 0.00 1.29 0.13 -1.89 -2.65 132.00 130.98 1a5e h PRO 114 Ca -0.43 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.42 1a5e h PRO 114 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1a5e h PRO 114 CO 0.68 0.76 -0.38 -0.24 -0.23 0.00 0.00 178.00 178.59 1a5e h VAL 115 N 0.40 0.51 -0.00 1.56 3.04 -1.91 -3.29 116.25 116.56 1a5e h VAL 115 Ca 0.04 -1.74 -0.14 0.00 -1.01 0.00 0.00 66.70 63.86 1a5e h VAL 115 Cb 0.80 2.23 0.01 0.00 -2.01 0.00 0.00 31.29 32.32 1a5e h VAL 115 CO 0.07 0.29 -0.55 -0.78 -1.01 0.00 0.00 177.57 175.59 1a5e h ASP 116 N 0.00 0.49 0.28 3.17 3.58 -1.89 -3.07 116.42 118.98 1a5e h ASP 116 Ca -0.01 -0.76 -0.00 0.00 0.42 0.00 0.00 57.03 56.68 1a5e h ASP 116 Cb 1.24 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1a5e h ASP 116 CO 0.04 1.18 -0.02 0.17 -2.88 0.00 0.00 179.24 177.73 1a5e h LEU 117 N -0.15 0.00 0.00 2.28 8.10 -1.58 -2.77 115.31 121.19 1a5e h LEU 117 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 1a5e h LEU 117 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1a5e h LEU 117 CO 0.11 0.02 -0.01 0.00 -4.11 0.00 0.00 178.44 174.45 1a5e h ALA 118 N 1.98 0.00 -0.82 0.17 0.00 -1.62 -0.89 119.26 118.08 1a5e h ALA 118 Ca -0.00 -0.44 0.22 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 118 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1a5e h ALA 118 CO 0.00 -0.06 0.58 0.93 0.00 0.00 0.00 179.25 180.70 1a5e h GLU 119 N -0.86 0.08 0.00 0.00 4.39 -1.40 -2.40 114.58 114.39 1a5e h GLU 119 Ca -0.00 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1a5e h GLU 119 Cb 0.88 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1a5e h GLU 119 CO 0.00 0.05 -0.79 0.93 -1.16 0.00 0.00 179.01 178.05 1a5e h GLU 120 N 0.08 0.00 0.00 2.33 5.08 -1.55 -3.44 114.58 117.09 1a5e h GLU 120 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1a5e h GLU 120 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1a5e h GLU 120 CO -0.04 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.12 1a5e n LEU 121 N -4.51 0.00 -1.49 1.33 4.77 -0.34 -4.94 117.00 111.81 1a5e n LEU 121 Ca -0.22 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1a5e n LEU 121 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1a5e n LEU 121 CO 0.21 0.00 0.26 0.61 -1.33 0.00 0.00 177.39 177.14 1a5e n GLY 122 N 0.00 -0.73 2.44 -0.72 0.00 -1.06 -5.02 105.19 100.10 1a5e n GLY 122 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.11 3.36 -0.17 1.61 8.25 -1.15 -4.88 115.22 122.13 1a5e n HIS 123 Ca -0.01 -3.05 -0.06 0.00 -0.26 0.00 0.00 57.72 54.34 1a5e n HIS 123 Cb 0.51 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1a5e n HIS 123 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1a5e h ARG 124 N 2.55 -0.18 -1.00 -0.41 2.43 -1.94 0.89 114.38 116.73 1a5e h ARG 124 Ca 0.30 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.74 1a5e h ARG 124 Cb 0.97 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.48 1a5e h ARG 124 CO 0.84 -0.12 0.66 -0.44 -1.51 0.00 0.00 179.97 179.40 1a5e h ASP 125 N -0.18 0.37 0.48 -3.80 5.19 -1.97 0.31 116.42 116.81 1a5e h ASP 125 Ca 0.21 0.06 -0.30 0.00 -0.62 0.00 0.00 57.03 56.38 1a5e h ASP 125 Cb 0.54 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 1a5e h ASP 125 CO -0.62 0.10 -1.48 0.58 -3.12 0.00 0.00 179.24 174.70 1a5e h VAL 126 N 0.35 1.22 -0.42 -1.35 2.07 -0.42 -2.87 116.25 114.82 1a5e h VAL 126 Ca 0.54 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1a5e h VAL 126 Cb 1.46 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 34.01 1a5e h VAL 126 CO -0.21 0.83 0.23 0.00 0.02 0.00 0.00 177.57 178.44 1a5e h ALA 127 N 0.50 0.54 0.40 1.67 0.00 0.37 0.35 119.26 123.09 1a5e h ALA 127 Ca -0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1a5e h ALA 127 Cb 2.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1a5e h ALA 127 CO 0.17 0.07 -0.19 -0.09 0.00 0.00 0.00 179.25 179.21 1a5e h ARG 128 N 0.55 -0.52 -0.97 0.00 2.43 -0.67 0.14 114.38 115.35 1a5e h ARG 128 Ca 0.15 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 1a5e h ARG 128 Cb 0.06 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 1a5e h ARG 128 CO -0.02 -0.23 0.60 -0.92 -1.51 0.00 0.00 179.97 177.89 1a5e h TYR 129 N -0.79 1.10 0.04 2.20 5.03 -1.41 -1.48 116.97 121.66 1a5e h TYR 129 Ca -0.06 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1a5e h TYR 129 Cb 0.53 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.46 1a5e h TYR 129 CO 0.00 0.46 -0.02 -0.07 -1.32 0.00 0.00 178.16 177.22 1a5e h LEU 130 N 0.99 -0.04 -2.00 2.82 3.38 -0.13 -1.44 115.31 118.89 1a5e h LEU 130 Ca 0.47 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 58.37 1a5e h LEU 130 Cb 0.41 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1a5e h LEU 130 CO -0.25 0.19 0.45 -0.09 0.09 0.00 0.00 178.44 178.84 1a5e h ARG 131 N -0.28 0.00 0.18 1.13 2.43 0.19 1.74 114.38 119.77 1a5e h ARG 131 Ca -0.01 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 1a5e h ARG 131 Cb 0.25 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1a5e h ARG 131 CO 0.01 0.00 -1.17 0.00 -1.51 0.00 0.00 179.97 177.30 1a5e h ALA 132 N 1.58 -0.06 0.00 2.80 0.00 -0.78 0.43 119.26 123.23 1a5e h ALA 132 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1a5e h ALA 132 Cb 1.15 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1a5e h ALA 132 CO -0.00 0.58 -0.41 0.00 0.00 0.00 0.00 179.25 179.42 1a5e n ALA 133 N -2.74 3.16 -0.01 0.00 0.00 -0.36 -4.13 120.51 116.43 1a5e n ALA 133 Ca -0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 53.44 52.99 1a5e n ALA 133 Cb 0.94 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.57 2.01 -2.06 0.00 0.00 0.58 -4.35 120.51 115.12 1a5e n ALA 134 Ca 0.05 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1a5e n ALA 134 Cb 0.36 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1a5e n ALA 134 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 135 N -2.96 0.81 -1.07 0.00 0.00 0.15 -4.34 107.32 99.91 1a5e s GLY 135 Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 1a5e s GLY 135 CO 0.13 3.19 1.47 0.61 0.00 0.00 0.00 173.10 178.50 1a5e n GLY 136 N 5.38 5.17 3.65 0.20 0.00 -1.26 -4.84 105.19 113.48 1a5e n GLY 136 Ca 0.22 -2.67 -0.45 0.00 0.00 0.00 0.00 46.02 43.11 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 1.32 1.13 -4.13 2.61 5.66 -1.26 -4.98 114.28 114.63 1a5e n THR 137 Ca 0.26 -0.28 -0.11 0.00 -3.05 0.00 0.00 64.05 60.87 1a5e n THR 137 Cb 0.33 -1.34 -0.08 0.00 -1.55 0.00 0.00 70.33 67.69 1a5e n THR 137 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1a5e s ARG 138 N -0.64 1.33 0.00 1.09 3.52 -1.26 -5.14 118.95 117.85 1a5e s ARG 138 Ca 0.67 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 1a5e s ARG 138 Cb -0.68 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.05 1a5e s ARG 138 CO 0.52 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1a5e n GLY 139 N -0.32 1.66 2.39 8.12 0.00 -1.26 -5.08 105.19 110.70 1a5e n GLY 139 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -1.26 -3.63 1.61 2.88 -1.26 -5.15 113.62 106.82 1a5e n SER 140 Ca 0.00 -2.05 -0.02 0.00 -1.33 0.00 0.00 58.87 55.47 1a5e n SER 140 Cb 0.00 0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 1a5e n SER 140 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a5e s ASN 141 N -0.98 -0.14 -0.91 -3.46 2.20 -1.26 -5.08 114.94 105.31 1a5e s ASN 141 Ca 0.07 -0.15 -0.01 0.00 -0.94 0.00 0.00 52.86 51.83 1a5e s ASN 141 Cb 0.36 0.26 0.26 0.00 -2.00 0.00 0.00 41.25 40.13 1a5e s ASN 141 CO -0.10 -0.45 1.01 1.57 -2.94 0.00 0.00 177.10 176.18 1a5e n HIS 142 N -0.37 3.59 0.00 1.54 -0.00 -1.26 -4.65 115.22 114.07 1a5e n HIS 142 Ca -0.06 -3.66 0.00 0.00 0.46 0.00 0.00 57.72 54.46 1a5e n HIS 142 Cb 0.61 -1.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a5e n ALA 143 N 1.69 2.40 -1.69 1.57 0.00 -1.26 -5.08 120.51 118.14 1a5e n ALA 143 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 1a5e n ALA 143 Cb 0.37 0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.93 1a5e n ALA 143 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1a5e n ARG 144 N -2.06 1.81 -2.66 0.00 0.63 -1.26 -4.93 116.66 108.18 1a5e n ARG 144 Ca 0.00 0.64 -0.04 0.00 -0.92 0.00 0.00 57.85 57.53 1a5e n ARG 144 Cb 0.10 -2.32 0.09 0.00 0.45 0.00 0.00 32.46 30.78 1a5e n ARG 144 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1a5e n ILE 145 N -0.29 0.00 -1.57 5.15 3.06 -1.26 -5.11 119.36 119.34 1a5e n ILE 145 Ca 0.07 -0.62 -0.57 0.00 -2.50 0.00 0.00 62.75 59.13 1a5e n ILE 145 Cb 0.40 1.06 -0.08 0.00 0.54 0.00 0.00 39.64 41.56 1a5e n ILE 145 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1a5e n ASP 146 N 1.28 2.00 -2.79 9.51 9.92 -1.26 -3.41 116.55 131.80 1a5e n ASP 146 Ca -0.01 0.83 -0.02 0.00 -0.53 0.00 0.00 54.79 55.07 1a5e n ASP 146 Cb 0.72 -1.12 -0.01 0.00 -0.64 0.00 0.00 41.12 40.06 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ALA 147 N 6.94 -3.11 -1.68 2.24 0.00 -1.26 -4.76 120.51 118.89 1a5e n ALA 147 Ca 0.35 0.91 -0.47 0.00 0.00 0.00 0.00 53.44 54.23 1a5e n ALA 147 Cb 0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1a5e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 148 N 1.23 1.09 -1.93 0.00 0.00 -1.22 -4.96 120.51 114.72 1a5e n ALA 148 Ca -0.12 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 1a5e n ALA 148 Cb 0.26 -2.47 0.05 0.00 0.00 0.00 0.00 19.45 17.29 1a5e n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a5e s GLU 149 N 3.13 2.77 0.00 0.00 2.02 -1.26 -5.03 118.70 120.34 1a5e s GLU 149 Ca 0.88 0.30 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1a5e s GLU 149 Cb -0.67 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1a5e s GLU 149 CO 0.47 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1a5e n GLY 150 N -2.93 4.16 3.56 -1.39 0.00 -1.26 -5.03 105.19 102.29 1a5e n GLY 150 Ca 0.06 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1a5e n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5e s PRO 151 N -3.02 3.42 0.00 1.61 0.04 -1.26 -5.02 135.00 130.77 1a5e s PRO 151 Ca 0.00 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1a5e s PRO 151 Cb 0.00 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1a5e s PRO 151 CO 0.00 -1.66 0.00 0.43 0.04 0.00 0.00 177.00 175.81 1a5e n SER 152 N 8.17 0.00 -4.79 6.66 7.64 -1.26 -5.00 113.62 125.04 1a5e n SER 152 Ca 0.06 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.60 1a5e n SER 152 Cb 0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 1a5e n SER 152 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a5e s ASP 153 N -1.04 6.02 -0.30 6.43 2.15 -1.26 -5.02 116.67 123.65 1a5e s ASP 153 Ca 0.00 1.95 -0.14 0.00 0.43 0.00 0.00 52.55 54.79 1a5e s ASP 153 Cb 0.00 -2.56 0.19 0.00 -0.30 0.00 0.00 42.92 40.25 1a5e s ASP 153 CO 0.00 -1.01 1.14 -0.51 -0.17 0.00 0.00 175.17 174.63 1a5e s ILE 154 N -2.08 -0.06 0.09 4.11 2.07 -1.26 -5.14 121.20 118.94 1a5e s ILE 154 Ca 0.67 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.60 1a5e s ILE 154 Cb -0.18 -0.02 -0.07 0.00 0.13 0.00 0.00 42.46 42.32 1a5e s ILE 154 CO 0.27 0.00 1.35 -2.16 -1.91 0.00 0.00 174.94 172.49 1a5e s PRO 155 N 2.37 4.34 0.00 3.50 0.04 -1.26 -5.29 135.00 138.71 1a5e s PRO 155 Ca 0.21 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1a5e s PRO 155 Cb 0.03 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1a5e s PRO 155 CO -0.19 -0.42 0.32 -0.25 0.04 0.00 0.00 177.00 176.51