#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 2.44 0.59 0.03 2.12 -1.26 -5.09 118.70 117.54 1a5e s GLU 2 Ca 0.00 -1.39 -0.17 0.00 0.36 0.00 0.00 54.97 53.77 1a5e s GLU 2 Cb 0.00 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1a5e s GLU 2 CO 0.00 -0.80 1.10 -1.25 -0.54 0.00 0.00 175.26 173.77 1a5e s PRO 3 N 1.31 3.18 0.38 4.30 0.04 -1.26 -5.05 135.00 137.90 1a5e s PRO 3 Ca 0.01 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.54 1a5e s PRO 3 Cb -0.21 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1a5e s PRO 3 CO 0.00 -0.95 0.30 0.00 0.04 0.00 0.00 177.00 176.38 1a5e s ALA 4 N -2.14 3.86 -0.25 8.56 0.00 -1.26 -5.11 121.76 125.41 1a5e s ALA 4 Ca 0.68 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1a5e s ALA 4 Cb -0.20 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1a5e s ALA 4 CO 0.34 -0.12 -0.06 0.00 0.00 0.00 0.00 175.76 175.92 1a5e s ALA 5 N -2.44 2.20 0.00 0.00 0.00 -1.26 -5.03 121.76 115.24 1a5e s ALA 5 Ca 0.44 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1a5e s ALA 5 Cb -0.03 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1a5e s ALA 5 CO 0.26 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1a5e n GLY 6 N 4.57 0.20 3.18 0.00 0.00 -1.26 -5.05 105.19 106.83 1a5e n GLY 6 Ca -0.11 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1a5e n GLY 6 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 7 N 0.00 -6.36 -3.69 1.61 7.64 -1.26 -5.03 113.62 106.53 1a5e n SER 7 Ca 0.00 -0.68 -0.12 0.00 1.01 0.00 0.00 58.87 59.09 1a5e n SER 7 Cb 0.00 -5.01 -0.09 0.00 -1.01 0.00 0.00 64.21 58.10 1a5e n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a5e s SER 8 N -3.39 -0.61 -0.97 6.43 1.04 -1.26 -5.10 113.70 109.84 1a5e s SER 8 Ca 0.43 1.09 -0.13 0.00 0.48 0.00 0.00 55.95 57.82 1a5e s SER 8 Cb -0.06 1.05 0.21 0.00 0.10 0.00 0.00 66.02 67.32 1a5e s SER 8 CO 0.71 -0.20 1.01 0.00 0.98 0.00 0.00 173.24 175.75 1a5e s MET 9 N 0.80 3.83 -0.66 4.02 0.23 -1.26 -4.68 119.30 121.59 1a5e s MET 9 Ca -0.04 -2.56 -0.05 0.00 -1.03 0.00 0.00 55.69 52.01 1a5e s MET 9 Cb -0.05 -4.64 0.01 0.00 -1.53 0.00 0.00 34.83 28.62 1a5e s MET 9 CO -0.06 -1.43 0.67 -1.91 -2.03 0.00 0.00 175.02 170.26 1a5e n GLU 10 N 4.30 -1.62 -0.87 3.16 4.07 -1.26 -4.78 120.64 123.64 1a5e n GLU 10 Ca 0.21 1.66 -0.29 0.00 -0.06 0.00 0.00 57.16 58.68 1a5e n GLU 10 Cb 0.45 -5.66 -0.03 0.00 -0.06 0.00 0.00 31.44 26.13 1a5e n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1a5e n PRO 11 N -1.38 1.81 -3.40 5.31 -0.04 -1.26 -4.86 135.00 131.18 1a5e n PRO 11 Ca 0.03 -1.57 -0.42 0.00 -0.04 0.00 0.00 63.50 61.49 1a5e n PRO 11 Cb 0.49 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.25 1a5e n PRO 11 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a5e s SER 12 N 4.04 6.16 0.33 3.54 0.01 -1.26 -4.79 113.70 121.73 1a5e s SER 12 Ca 0.45 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1a5e s SER 12 Cb 0.11 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1a5e s SER 12 CO 0.02 -0.45 0.00 0.00 0.41 0.00 0.00 173.24 173.23 1a5e n ALA 13 N 5.39 0.64 1.37 1.44 0.00 -1.26 -4.76 120.51 123.32 1a5e n ALA 13 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1a5e n ALA 13 Cb 0.48 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.37 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a5e n ASP 14 N -3.22 1.46 0.04 0.00 9.92 -1.26 -3.84 116.55 119.65 1a5e n ASP 14 Ca 0.00 -1.61 0.10 0.00 -0.53 0.00 0.00 54.79 52.75 1a5e n ASP 14 Cb 0.00 -0.07 0.41 0.00 -0.64 0.00 0.00 41.12 40.82 1a5e n ASP 14 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1a5e n TRP 15 N 0.17 0.26 0.08 1.24 7.02 -1.26 -2.74 117.44 122.21 1a5e n TRP 15 Ca 0.17 0.10 -0.07 0.00 -1.02 0.00 0.00 57.50 56.68 1a5e n TRP 15 Cb 0.31 -0.66 -0.04 0.00 -2.42 0.00 0.00 31.31 28.51 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 -0.25 -0.05 -0.99 5.85 -1.91 -3.01 115.31 114.94 1a5e h LEU 16 Ca 0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1a5e h LEU 16 Cb 0.35 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1a5e h LEU 16 CO 0.00 0.25 0.03 0.00 -0.34 0.00 0.00 178.44 178.38 1a5e h ALA 17 N -0.89 0.07 -0.13 1.25 0.00 -1.81 -2.69 119.26 115.06 1a5e h ALA 17 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a5e h ALA 17 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a5e h ALA 17 CO 0.05 -0.40 -0.12 1.79 0.00 0.00 0.00 179.25 180.57 1a5e h THR 18 N 0.02 0.00 -0.65 0.00 1.35 -1.65 -0.77 112.91 111.21 1a5e h THR 18 Ca 0.02 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.01 1a5e h THR 18 Cb 0.06 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.35 1a5e h THR 18 CO -0.00 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.05 1a5e h ALA 19 N -0.92 0.30 -0.53 6.62 0.00 -1.54 -0.56 119.26 122.64 1a5e h ALA 19 Ca 0.02 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1a5e h ALA 19 Cb 0.11 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1a5e h ALA 19 CO -0.15 -0.50 -0.33 0.00 0.00 0.00 0.00 179.25 178.27 1a5e h ALA 20 N 1.47 -0.08 0.00 0.00 0.00 -0.88 0.63 119.26 120.40 1a5e h ALA 20 Ca 0.30 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1a5e h ALA 20 Cb 0.52 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a5e h ALA 20 CO -0.69 -0.69 -0.00 0.00 0.00 0.00 0.00 179.25 177.87 1a5e h ALA 21 N 0.92 1.01 -0.65 0.00 0.00 0.23 0.87 119.26 121.64 1a5e h ALA 21 Ca 0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1a5e h ALA 21 Cb 0.54 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1a5e h ALA 21 CO -0.63 0.00 0.14 0.54 0.00 0.00 0.00 179.25 179.30 1a5e n ARG 22 N -3.10 4.25 -3.63 0.00 1.74 0.21 -4.46 116.66 111.68 1a5e n ARG 22 Ca -0.02 -3.04 -0.22 0.00 -0.77 0.00 0.00 57.85 53.80 1a5e n ARG 22 Cb 0.14 -2.23 0.04 0.00 -1.02 0.00 0.00 32.46 29.39 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 0.23 -0.50 2.83 -0.13 0.00 -0.81 -4.95 105.19 101.87 1a5e n GLY 23 Ca 0.34 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 1a5e n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 24 N -5.76 1.63 0.08 1.61 1.81 -0.90 -4.95 118.95 112.47 1a5e s ARG 24 Ca 0.12 -2.31 -0.14 0.00 -1.72 0.00 0.00 55.73 51.68 1a5e s ARG 24 Cb -0.03 -2.82 -0.19 0.00 -0.45 0.00 0.00 34.95 31.46 1a5e s ARG 24 CO 0.81 -1.14 1.25 0.28 -0.68 0.00 0.00 175.30 175.82 1a5e h VAL 25 N 5.37 1.29 -0.23 3.52 2.07 -1.93 -3.15 116.25 123.19 1a5e h VAL 25 Ca -0.04 -2.05 -0.11 0.00 0.82 0.00 0.00 66.70 65.32 1a5e h VAL 25 Cb 0.91 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1a5e h VAL 25 CO 0.58 0.64 -0.32 -0.33 0.02 0.00 0.00 177.57 178.17 1a5e h GLU 26 N 0.43 0.47 0.07 1.57 5.08 -1.99 -0.27 114.58 119.95 1a5e h GLU 26 Ca -0.08 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1a5e h GLU 26 Cb 1.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1a5e h GLU 26 CO 0.17 0.74 -0.03 1.49 -1.00 0.00 0.00 179.01 180.38 1a5e h GLU 27 N 0.41 -0.09 -0.04 2.33 4.57 -1.97 -2.87 114.58 116.92 1a5e h GLU 27 Ca 0.05 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1a5e h GLU 27 Cb 0.76 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1a5e h GLU 27 CO 0.06 -0.01 -0.08 0.28 -1.18 0.00 0.00 179.01 178.08 1a5e h VAL 28 N -0.15 1.43 -0.99 0.32 2.07 -1.50 -2.34 116.25 115.10 1a5e h VAL 28 Ca -0.01 -1.42 0.35 0.00 0.82 0.00 0.00 66.70 66.45 1a5e h VAL 28 Cb 0.12 2.28 -0.17 0.00 -1.52 0.00 0.00 31.29 32.00 1a5e h VAL 28 CO 0.02 0.38 0.38 0.03 0.02 0.00 0.00 177.57 178.40 1a5e h ARG 29 N -0.40 0.06 0.01 1.57 -0.00 -1.03 1.99 114.38 116.58 1a5e h ARG 29 Ca 0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1a5e h ARG 29 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1a5e h ARG 29 CO 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 179.97 180.03 1a5e h ALA 30 N 1.96 -0.01 0.92 0.04 0.00 -1.51 -2.97 119.26 117.69 1a5e h ALA 30 Ca 0.74 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1a5e h ALA 30 Cb 1.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.61 1a5e h ALA 30 CO -0.78 -0.09 -0.44 -0.07 0.00 0.00 0.00 179.25 177.87 1a5e h LEU 31 N -0.84 -1.05 -0.91 0.00 3.38 0.11 -1.08 115.31 114.91 1a5e h LEU 31 Ca -0.00 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1a5e h LEU 31 Cb 0.81 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1a5e h LEU 31 CO 0.00 -0.71 0.07 0.25 0.09 0.00 0.00 178.44 178.14 1a5e h LEU 32 N -1.32 -0.33 -0.33 1.67 5.85 0.28 1.73 115.31 122.87 1a5e h LEU 32 Ca -0.13 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1a5e h LEU 32 Cb 0.95 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1a5e h LEU 32 CO 0.21 -0.27 0.00 1.21 -0.34 0.00 0.00 178.44 179.25 1a5e n GLU 33 N -5.39 0.24 0.00 1.25 2.13 -1.12 -2.79 120.64 114.95 1a5e n GLU 33 Ca 0.21 0.31 0.13 0.00 0.66 0.00 0.00 57.16 58.47 1a5e n GLU 33 Cb 0.68 -1.84 0.36 0.00 0.27 0.00 0.00 31.44 30.90 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5e n ALA 34 N -1.79 3.23 0.00 4.31 0.00 0.58 -4.88 120.51 121.96 1a5e n ALA 34 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1a5e n ALA 34 Cb 0.34 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.44 1.46 3.70 0.00 0.00 -0.74 -5.06 105.19 106.00 1a5e n GLY 35 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 36 N 0.00 1.70 -2.63 4.61 0.00 -1.02 -4.91 120.51 118.26 1a5e n ALA 36 Ca 0.00 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 1a5e n ALA 36 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 1a5e n ALA 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a5e s LEU 37 N -0.30 4.01 0.16 0.00 2.96 -1.25 -4.87 118.68 119.39 1a5e s LEU 37 Ca 0.65 0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 55.36 1a5e s LEU 37 Cb -0.58 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1a5e s LEU 37 CO 0.51 -0.76 1.41 1.55 -1.32 0.00 0.00 176.35 177.74 1a5e h PRO 38 N 8.11 0.55 -0.85 0.98 0.13 -1.90 -3.08 132.00 135.93 1a5e h PRO 38 Ca -0.22 -0.43 -0.13 0.00 -0.87 0.00 0.00 66.00 64.35 1a5e h PRO 38 Cb 1.08 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1a5e h PRO 38 CO 0.96 1.06 0.16 0.09 -0.23 0.00 0.00 178.00 180.04 1a5e n ASN 39 N -3.89 3.69 -4.70 1.44 5.03 -1.26 -4.27 115.26 111.31 1a5e n ASN 39 Ca -0.05 -2.73 -0.38 0.00 0.87 0.00 0.00 54.58 52.30 1a5e n ASN 39 Cb 0.70 -0.65 0.05 0.00 -1.02 0.00 0.00 39.78 38.87 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e n ALA 40 N 0.02 1.01 -2.19 5.41 0.00 -1.17 -4.84 120.51 118.76 1a5e n ALA 40 Ca 0.25 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 1a5e n ALA 40 Cb 0.98 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1a5e n ALA 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a5e s PRO 41 N -2.99 2.83 0.81 0.00 0.04 -1.26 -4.89 135.00 129.55 1a5e s PRO 41 Ca 0.76 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 1a5e s PRO 41 Cb -0.41 -4.87 0.08 0.00 0.04 0.00 0.00 34.50 29.34 1a5e s PRO 41 CO 0.46 -2.88 1.13 -0.80 0.04 0.00 0.00 177.00 174.94 1a5e s ASN 42 N 7.07 3.92 0.00 6.66 0.01 -1.26 -4.93 114.94 126.41 1a5e s ASN 42 Ca 0.61 2.04 0.23 0.00 -0.71 0.00 0.00 52.86 55.03 1a5e s ASN 42 Cb -0.07 -2.55 0.67 0.00 0.41 0.00 0.00 41.25 39.71 1a5e s ASN 42 CO 0.04 -2.43 1.52 -0.24 -1.51 0.00 0.00 177.10 174.48 1a5e n SER 43 N -3.60 2.16 -0.74 -1.22 2.88 -1.26 -3.93 113.62 107.91 1a5e n SER 43 Ca 0.11 -1.77 0.05 0.00 -1.33 0.00 0.00 58.87 55.93 1a5e n SER 43 Cb 0.52 -0.11 0.21 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.65 0.69 -2.68 0.66 4.02 -1.26 -4.93 117.16 114.32 1a5e n TYR 44 Ca 0.17 -1.13 -0.11 0.00 -0.01 0.00 0.00 57.90 56.82 1a5e n TYR 44 Cb 0.42 -0.32 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5e n GLY 45 N -0.94 -0.49 0.00 2.72 0.00 -1.25 -4.88 105.19 100.34 1a5e n GLY 45 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.90 3.49 -4.34 1.61 1.74 -1.26 -4.73 116.66 110.27 1a5e n ARG 46 Ca -0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 1a5e n ARG 46 Cb 0.56 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 1a5e n ARG 46 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1a5e s ARG 47 N 1.19 2.23 0.38 5.56 3.00 -1.26 -4.68 118.95 125.38 1a5e s ARG 47 Ca 0.00 -2.24 0.19 0.00 0.00 0.00 0.00 55.73 53.68 1a5e s ARG 47 Cb 0.00 -1.80 0.74 0.00 0.00 0.00 0.00 34.95 33.88 1a5e s ARG 47 CO 0.00 -0.52 1.76 -1.00 0.00 0.00 0.00 175.30 175.55 1a5e h PRO 48 N 1.02 0.00 0.00 3.54 0.13 -1.90 -3.27 132.00 131.52 1a5e h PRO 48 Ca -0.40 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 1a5e h PRO 48 Cb 1.31 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1a5e h PRO 48 CO 0.65 0.36 -1.78 -0.89 -0.23 0.00 0.00 178.00 176.11 1a5e n ILE 49 N -3.59 0.78 0.21 -3.56 5.41 -1.26 -4.11 119.36 113.24 1a5e n ILE 49 Ca -0.01 -0.34 0.15 0.00 1.00 0.00 0.00 62.75 63.55 1a5e n ILE 49 Cb 0.48 -0.92 0.61 0.00 -0.71 0.00 0.00 39.64 39.10 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 0.00 0.38 4.15 -1.89 0.78 115.11 118.53 1a5e h GLN 50 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1a5e h GLN 50 Cb 1.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1a5e h GLN 50 CO -0.03 0.00 -0.81 1.55 -1.93 0.00 0.00 178.83 177.61 1a5e n VAL 51 N -3.07 0.00 -0.95 2.39 3.14 -1.23 -4.87 118.33 113.74 1a5e n VAL 51 Ca 0.03 -0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 60.99 1a5e n VAL 51 Cb 0.68 0.98 0.14 0.00 -1.06 0.00 0.00 33.84 34.58 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 -2.57 1.31 -0.37 1.45 0.23 0.27 -3.11 119.30 116.51 1a5e s MET 52 Ca 0.06 1.25 -0.27 0.00 -1.03 0.00 0.00 55.69 55.70 1a5e s MET 52 Cb 0.12 -1.78 -0.05 0.00 -1.53 0.00 0.00 34.83 31.59 1a5e s MET 52 CO 0.68 -2.33 2.17 -1.64 -2.03 0.00 0.00 175.02 171.86 1a5e s MET 53 N -4.76 2.78 0.03 3.16 -1.94 0.29 -4.64 119.30 114.23 1a5e s MET 53 Ca 0.64 1.58 0.06 0.00 -1.71 0.00 0.00 55.69 56.26 1a5e s MET 53 Cb -0.20 -4.41 0.27 0.00 2.01 0.00 0.00 34.83 32.49 1a5e s MET 53 CO 0.58 -2.50 1.18 -1.33 -0.01 0.00 0.00 175.02 172.94 1a5e n MET 54 N 8.83 0.02 -0.61 2.03 2.81 -1.26 -1.96 117.12 126.98 1a5e n MET 54 Ca 0.30 0.45 -0.10 0.00 -1.81 0.00 0.00 57.70 56.54 1a5e n MET 54 Cb 0.49 -1.55 0.11 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.09 3.13 2.80 3.03 0.00 -1.26 -4.50 105.19 107.30 1a5e n GLY 55 Ca 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1a5e n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5e s SER 56 N -0.22 -1.36 0.61 1.61 0.01 -0.83 -4.98 113.70 108.54 1a5e s SER 56 Ca 0.29 -1.51 0.27 0.00 1.31 0.00 0.00 55.95 56.31 1a5e s SER 56 Cb 0.24 1.78 1.30 0.00 0.21 0.00 0.00 66.02 69.55 1a5e s SER 56 CO 0.06 -0.06 1.72 0.00 0.41 0.00 0.00 173.24 175.37 1a5e h ALA 57 N 5.17 2.21 -0.39 1.44 0.00 -1.81 0.81 119.26 126.69 1a5e h ALA 57 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a5e h ALA 57 Cb 1.12 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 57 CO 0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 179.25 178.28 1a5e h ARG 58 N 0.00 0.01 0.33 0.00 3.08 -1.93 -1.18 114.38 114.69 1a5e h ARG 58 Ca 0.23 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1a5e h ARG 58 Cb 1.53 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1a5e h ARG 58 CO -0.00 0.01 -0.25 0.28 -1.07 0.00 0.00 179.97 178.94 1a5e h VAL 59 N 0.01 0.00 -0.99 2.04 2.07 -1.17 -2.12 116.25 116.09 1a5e h VAL 59 Ca 0.19 0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.05 1a5e h VAL 59 Cb 0.28 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.87 1a5e h VAL 59 CO -0.39 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.53 1a5e h ALA 60 N -1.46 1.72 -0.44 1.67 0.00 -1.61 1.30 119.26 120.45 1a5e h ALA 60 Ca -0.04 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1a5e h ALA 60 Cb 0.46 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1a5e h ALA 60 CO 0.02 -0.77 0.22 1.49 0.00 0.00 0.00 179.25 180.21 1a5e h GLU 61 N 0.03 0.43 -0.00 0.00 4.22 -0.71 1.34 114.58 119.88 1a5e h GLU 61 Ca 0.73 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 60.18 1a5e h GLU 61 Cb 1.77 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1a5e h GLU 61 CO -0.82 0.28 -0.31 1.25 -2.18 0.00 0.00 179.01 177.23 1a5e h LEU 62 N 0.44 -0.94 -0.36 1.64 6.46 0.23 1.84 115.31 124.61 1a5e h LEU 62 Ca 0.19 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1a5e h LEU 62 Cb 0.10 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1a5e h LEU 62 CO -0.14 -0.38 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.21 1a5e h LEU 63 N -0.46 0.65 0.41 2.25 4.07 -0.98 -2.48 115.31 118.76 1a5e h LEU 63 Ca 0.06 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1a5e h LEU 63 Cb 0.55 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1a5e h LEU 63 CO -0.26 0.82 -0.20 0.25 -1.08 0.00 0.00 178.44 177.97 1a5e h LEU 64 N 0.47 -0.46 -1.57 1.67 5.85 0.23 0.93 115.31 122.42 1a5e h LEU 64 Ca 0.10 -0.09 0.28 0.00 0.84 0.00 0.00 57.88 59.01 1a5e h LEU 64 Cb 0.50 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 1a5e h LEU 64 CO 0.02 -0.17 0.70 0.25 -0.34 0.00 0.00 178.44 178.90 1a5e h LEU 65 N -0.76 0.31 0.11 2.25 5.85 0.28 0.41 115.31 123.76 1a5e h LEU 65 Ca -0.06 0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1a5e h LEU 65 Cb 0.52 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1a5e h LEU 65 CO 0.09 0.06 -1.43 0.45 -0.34 0.00 0.00 178.44 177.27 1a5e h HIS 66 N 0.27 0.42 0.00 1.25 3.86 -1.06 -3.49 115.15 116.42 1a5e h HIS 66 Ca 0.56 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1a5e h HIS 66 Cb 1.66 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1a5e h HIS 66 CO -0.00 1.32 0.00 0.41 0.86 0.00 0.00 177.93 180.52 1a5e n GLY 67 N 1.61 0.29 0.00 2.45 0.00 0.28 -5.06 105.19 104.76 1a5e n GLY 67 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.06 4.61 0.00 0.13 -4.69 120.51 117.50 1a5e n ALA 68 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1a5e n ALA 68 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 3.47 0.12 0.00 1.02 -1.26 -4.81 120.64 119.17 1a5e n GLU 69 Ca 0.00 -4.74 0.11 0.00 -0.02 0.00 0.00 57.16 52.50 1a5e n GLU 69 Cb 0.00 -2.31 0.47 0.00 -0.02 0.00 0.00 31.44 29.58 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 0.31 0.15 -0.05 3.49 -0.04 -1.26 -3.70 135.00 133.90 1a5e n PRO 70 Ca 0.32 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1a5e n PRO 70 Cb 0.37 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 -2.13 1.55 -4.45 3.54 5.15 -1.26 -4.41 115.26 113.25 1a5e n ASN 71 Ca 0.01 0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.86 1a5e n ASN 71 Cb 0.17 -0.58 0.04 0.00 -0.53 0.00 0.00 39.78 38.88 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 -1.72 0.00 -3.36 0.00 0.00 -1.26 -4.42 120.51 109.76 1a5e n ALA 73 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1a5e n ALA 73 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 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 3.66 0.00 0.00 2.15 -1.26 -4.92 116.67 117.31 1a5e s ASP 74 Ca 0.00 -0.45 0.12 0.00 0.43 0.00 0.00 52.55 52.65 1a5e s ASP 74 Cb 0.00 -1.56 0.54 0.00 -0.30 0.00 0.00 42.92 41.60 1a5e s ASP 74 CO 0.00 0.11 1.36 -0.81 -0.17 0.00 0.00 175.17 175.66 1a5e n PRO 75 N 3.90 0.05 -0.13 4.34 -0.04 -1.26 0.30 135.00 142.15 1a5e n PRO 75 Ca -0.19 0.26 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 1a5e n PRO 75 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.44 1.24 0.19 0.55 0.00 -1.26 -4.65 120.51 115.13 1a5e n ALA 76 Ca 0.04 -1.07 0.02 0.00 0.00 0.00 0.00 53.44 52.43 1a5e n ALA 76 Cb 0.13 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.95 0.00 -1.62 0.00 -2.24 -1.18 -4.76 114.28 100.53 1a5e n THR 77 Ca -0.51 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 60.70 1a5e n THR 77 Cb 0.91 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 70.21 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 0.18 -0.58 -4.56 3.22 4.77 0.86 0.37 117.00 121.26 1a5e n LEU 78 Ca 0.02 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 1a5e n LEU 78 Cb 0.11 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.71 1a5e n LEU 78 CO 0.03 -0.28 1.54 -0.89 -1.33 0.00 0.00 177.39 176.45 1a5e s THR 79 N -1.86 3.06 0.42 -5.08 2.01 -1.26 -4.23 115.64 108.71 1a5e s THR 79 Ca 0.00 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 1a5e s THR 79 Cb 0.00 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 1a5e s THR 79 CO 0.00 -0.15 1.27 -0.60 -0.69 0.00 0.00 174.62 174.45 1a5e s ARG 80 N 8.41 3.89 0.00 4.92 6.06 -1.26 -4.18 118.95 136.79 1a5e s ARG 80 Ca 0.91 2.07 0.10 0.00 -2.50 0.00 0.00 55.73 56.31 1a5e s ARG 80 Cb -0.14 -2.67 0.42 0.00 0.06 0.00 0.00 34.95 32.62 1a5e s ARG 80 CO 0.14 -0.53 1.30 -0.35 -2.50 0.00 0.00 175.30 173.36 1a5e n PRO 81 N -0.04 0.01 0.21 5.12 -0.04 -1.26 -1.94 135.00 137.07 1a5e n PRO 81 Ca 0.05 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1a5e n PRO 81 Cb 0.45 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.71 -0.16 0.52 2.07 -1.88 -3.00 116.25 114.51 1a5e h VAL 82 Ca 0.00 -1.18 -0.18 0.00 0.82 0.00 0.00 66.70 66.16 1a5e h VAL 82 Cb 0.16 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1a5e h VAL 82 CO 0.00 0.26 -0.58 0.45 0.02 0.00 0.00 177.57 177.72 1a5e h HIS 83 N 0.00 0.90 -0.90 1.57 3.86 -1.71 -3.12 115.15 115.75 1a5e h HIS 83 Ca -0.00 -0.37 0.23 0.00 -1.16 0.00 0.00 60.37 59.06 1a5e h HIS 83 Cb 0.74 -0.15 -0.13 0.00 1.06 0.00 0.00 27.41 28.93 1a5e h HIS 83 CO 0.00 1.17 0.37 -0.44 0.86 0.00 0.00 177.93 179.90 1a5e h ASP 84 N 0.37 0.28 0.32 2.45 3.32 -1.67 1.67 116.42 123.16 1a5e h ASP 84 Ca -0.03 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1a5e h ASP 84 Cb 1.21 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1a5e h ASP 84 CO 0.12 -0.03 -0.15 0.00 -1.72 0.00 0.00 179.24 177.46 1a5e h ALA 85 N 1.72 -0.80 -0.16 3.45 0.00 -1.62 -2.38 119.26 119.46 1a5e h ALA 85 Ca 0.56 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1a5e h ALA 85 Cb 1.09 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1a5e h ALA 85 CO -0.55 -0.77 0.09 0.00 0.00 0.00 0.00 179.25 178.02 1a5e h ALA 86 N -1.66 0.20 -0.94 0.00 0.00 -1.38 0.34 119.26 115.82 1a5e h ALA 86 Ca -0.04 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1a5e h ALA 86 Cb 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1a5e h ALA 86 CO 0.07 -0.34 0.61 -0.09 0.00 0.00 0.00 179.25 179.51 1a5e h ARG 87 N 0.19 0.44 -0.14 0.00 1.12 0.24 1.02 114.38 117.24 1a5e h ARG 87 Ca 0.06 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 1a5e h ARG 87 Cb -0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.86 1a5e h ARG 87 CO -0.03 0.29 0.00 -1.91 -3.11 0.00 0.00 179.97 175.21 1a5e n GLU 88 N -4.55 1.66 -2.06 0.20 4.07 -0.81 -4.89 120.64 114.26 1a5e n GLU 88 Ca 0.21 -0.99 -0.11 0.00 -0.06 0.00 0.00 57.16 56.21 1a5e n GLU 88 Cb 0.71 -1.39 -0.01 0.00 -0.06 0.00 0.00 31.44 30.69 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 1.10 0.13 3.45 8.31 0.00 0.35 -4.93 105.19 113.60 1a5e n GLY 89 Ca 0.16 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.53 3.08 -0.17 1.61 2.19 0.11 -4.91 117.98 117.37 1a5e s PHE 90 Ca 0.00 -0.43 -0.06 0.00 0.33 0.00 0.00 56.93 56.78 1a5e s PHE 90 Cb 0.00 -2.23 -0.22 0.00 -1.31 0.00 0.00 43.02 39.25 1a5e s PHE 90 CO 0.00 -0.36 0.15 -0.11 1.83 0.00 0.00 175.22 176.73 1a5e n LEU 91 N 4.91 2.65 0.10 6.12 0.00 -1.26 -3.73 117.00 125.78 1a5e n LEU 91 Ca -0.16 0.13 0.20 0.00 0.00 0.00 0.00 56.01 56.18 1a5e n LEU 91 Cb 0.51 -1.04 0.74 0.00 0.00 0.00 0.00 43.42 43.64 1a5e n LEU 91 CO 0.31 0.82 1.18 0.44 0.00 0.00 0.00 177.39 180.14 1a5e h ASP 92 N -0.08 0.00 -0.03 1.96 3.32 -1.97 0.36 116.42 119.98 1a5e h ASP 92 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 1a5e h ASP 92 Cb 1.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.48 1a5e h ASP 92 CO -0.01 0.00 -0.38 0.74 -1.72 0.00 0.00 179.24 177.87 1a5e h THR 93 N 0.00 1.46 0.35 0.35 2.02 -1.91 -3.03 112.91 112.16 1a5e h THR 93 Ca 0.19 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 1a5e h THR 93 Cb 1.10 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1a5e h THR 93 CO -0.00 0.54 -0.26 -0.07 0.37 0.00 0.00 175.52 176.10 1a5e h LEU 94 N -0.25 -0.68 -0.61 2.58 4.07 -1.09 -2.00 115.31 117.33 1a5e h LEU 94 Ca -0.04 0.05 0.12 0.00 0.08 0.00 0.00 57.88 58.09 1a5e h LEU 94 Cb 1.08 0.21 -0.12 0.00 1.08 0.00 0.00 40.66 42.92 1a5e h LEU 94 CO 0.08 -0.40 -0.18 0.58 -1.08 0.00 0.00 178.44 177.43 1a5e h VAL 95 N -0.61 0.34 -0.11 1.22 2.07 -1.54 -0.65 116.25 116.98 1a5e h VAL 95 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1a5e h VAL 95 Cb 0.53 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1a5e h VAL 95 CO 0.00 0.00 -0.36 0.58 0.02 0.00 0.00 177.57 177.81 1a5e h VAL 96 N -0.03 0.22 -0.34 2.57 2.07 -1.33 0.91 116.25 120.31 1a5e h VAL 96 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 1a5e h VAL 96 Cb 0.47 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 1a5e h VAL 96 CO -0.64 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 176.61 1a5e h LEU 97 N -0.45 -0.90 -1.73 2.57 4.07 -0.43 0.31 115.31 118.74 1a5e h LEU 97 Ca 0.08 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 1a5e h LEU 97 Cb 0.59 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1a5e h LEU 97 CO -0.36 -0.29 -0.02 -0.74 -1.08 0.00 0.00 178.44 175.95 1a5e h HIS 98 N -0.23 0.14 0.00 1.13 2.76 -0.33 -0.71 115.15 117.91 1a5e h HIS 98 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1a5e h HIS 98 Cb 0.50 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1a5e h HIS 98 CO -0.47 0.17 0.00 0.54 -1.30 0.00 0.00 177.93 176.87 1a5e n ARG 99 N -4.43 0.09 -3.18 5.26 1.74 0.31 -3.88 116.66 112.57 1a5e n ARG 99 Ca -0.01 0.30 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1a5e n ARG 99 Cb 0.15 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a5e n ALA 100 N -1.62 2.16 -2.94 7.54 0.00 -0.28 -5.05 120.51 120.33 1a5e n ALA 100 Ca 0.03 -3.34 -0.02 0.00 0.00 0.00 0.00 53.44 50.12 1a5e n ALA 100 Cb 0.21 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 1.00 -1.77 3.15 0.00 0.00 -1.21 -4.92 105.19 101.44 1a5e n GLY 101 Ca 0.22 0.54 0.04 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.45 -2.31 0.13 4.61 0.00 -1.17 -4.47 121.76 118.10 1a5e s ALA 102 Ca -0.08 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.32 1a5e s ALA 102 Cb 0.01 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 1a5e s ALA 102 CO 0.28 -1.39 1.58 0.50 0.00 0.00 0.00 175.76 176.73 1a5e s ARG 103 N 2.86 4.22 -0.13 0.00 3.52 -1.26 -4.47 118.95 123.68 1a5e s ARG 103 Ca 0.19 2.33 0.18 0.00 -0.13 0.00 0.00 55.73 58.31 1a5e s ARG 103 Cb -0.14 -3.30 0.30 0.00 -1.56 0.00 0.00 34.95 30.25 1a5e s ARG 103 CO -0.21 -0.64 1.17 1.28 -0.81 0.00 0.00 175.30 176.09 1a5e n LEU 104 N 4.48 2.47 -2.93 -0.88 4.32 -1.26 -4.76 117.00 118.44 1a5e n LEU 104 Ca 0.14 -3.05 -0.25 0.00 -0.02 0.00 0.00 56.01 52.83 1a5e n LEU 104 Cb 0.39 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.73 1a5e n LEU 104 CO 0.62 0.70 0.07 -0.67 -1.22 0.00 0.00 177.39 176.89 1a5e n ASP 105 N -1.33 3.72 -3.52 -1.43 2.03 -1.26 -4.05 116.55 110.70 1a5e n ASP 105 Ca 0.16 -3.53 -0.17 0.00 0.52 0.00 0.00 54.79 51.77 1a5e n ASP 105 Cb 0.65 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1a5e n VAL 106 N -0.16 0.00 -3.81 5.18 3.14 -1.26 -4.89 118.33 116.52 1a5e n VAL 106 Ca 0.30 -1.31 -0.17 0.00 -2.96 0.00 0.00 64.34 60.20 1a5e n VAL 106 Cb 0.48 0.14 -0.16 0.00 -1.06 0.00 0.00 33.84 33.24 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 -3.09 0.10 0.61 1.45 1.04 -1.26 -4.22 118.95 113.58 1a5e s ARG 107 Ca 0.04 0.18 -0.18 0.00 -1.04 0.00 0.00 55.73 54.73 1a5e s ARG 107 Cb -0.00 -0.40 -0.07 0.00 -2.04 0.00 0.00 34.95 32.44 1a5e s ARG 107 CO 0.03 -0.19 0.66 -0.25 -0.04 0.00 0.00 175.30 175.51 1a5e n ASP 108 N 4.38 -0.53 -0.41 -2.89 9.92 -1.17 -4.77 116.55 121.09 1a5e n ASP 108 Ca -0.23 0.73 0.33 0.00 -0.53 0.00 0.00 54.79 55.09 1a5e n ASP 108 Cb 0.50 -1.25 0.62 0.00 -0.64 0.00 0.00 41.12 40.35 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e h ALA 109 N 0.18 2.63 -2.91 2.24 0.00 -0.28 -2.72 119.26 118.39 1a5e h ALA 109 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a5e h ALA 109 Cb 1.38 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1a5e h ALA 109 CO 0.47 -1.18 0.00 0.91 0.00 0.00 0.00 179.25 179.45 1a5e n TRP 110 N -4.64 0.00 0.00 0.00 8.01 -1.26 -4.92 117.44 114.62 1a5e n TRP 110 Ca 0.34 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.53 1a5e n TRP 110 Cb 1.28 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.57 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 -0.52 0.00 0.00 6.99 0.00 -1.03 -4.66 105.19 105.97 1a5e n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.36 -3.87 1.61 3.00 -1.26 -4.87 116.66 113.64 1a5e n ARG 112 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1a5e n ARG 112 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 1a5e n ARG 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1a5e s LEU 113 N 0.00 1.38 0.29 6.15 2.96 -1.26 -3.03 118.68 125.17 1a5e s LEU 113 Ca 0.00 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1a5e s LEU 113 Cb 0.00 1.05 0.46 0.00 0.50 0.00 0.00 46.19 48.20 1a5e s LEU 113 CO 0.00 -0.74 1.73 1.55 -1.32 0.00 0.00 176.35 177.56 1a5e h PRO 114 N 2.73 0.38 0.12 0.98 0.13 -1.89 -2.13 132.00 132.31 1a5e h PRO 114 Ca -0.34 -0.15 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 1a5e h PRO 114 Cb 1.20 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1a5e h PRO 114 CO 0.55 0.64 -1.22 -0.24 -0.23 0.00 0.00 178.00 177.50 1a5e h VAL 115 N 0.33 1.36 -0.44 1.56 3.04 -1.90 -3.27 116.25 116.93 1a5e h VAL 115 Ca 0.04 -2.65 -0.05 0.00 -1.01 0.00 0.00 66.70 63.03 1a5e h VAL 115 Cb 0.70 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.72 1a5e h VAL 115 CO 0.05 0.79 0.08 0.44 -1.01 0.00 0.00 177.57 177.93 1a5e h ASP 116 N 0.20 0.69 -0.99 3.17 3.32 -1.92 -2.70 116.42 118.19 1a5e h ASP 116 Ca -0.16 -0.25 0.17 0.00 0.02 0.00 0.00 57.03 56.81 1a5e h ASP 116 Cb 1.90 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 41.18 1a5e h ASP 116 CO 0.22 0.76 0.62 -0.07 -1.72 0.00 0.00 179.24 179.05 1a5e h LEU 117 N 0.59 0.78 -0.82 1.55 3.38 -1.47 0.17 115.31 119.49 1a5e h LEU 117 Ca 0.14 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1a5e h LEU 117 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1a5e h LEU 117 CO 0.01 0.32 -0.40 0.00 0.09 0.00 0.00 178.44 178.46 1a5e h ALA 118 N 1.61 0.99 0.00 1.53 0.00 -1.54 -2.33 119.26 119.52 1a5e h ALA 118 Ca 0.54 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a5e h ALA 118 Cb 0.82 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a5e h ALA 118 CO -0.32 0.61 -0.00 0.93 0.00 0.00 0.00 179.25 180.47 1a5e h GLU 119 N 0.33 0.00 0.00 0.00 4.39 -0.39 -2.01 114.58 116.91 1a5e h GLU 119 Ca 0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1a5e h GLU 119 Cb 0.85 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1a5e h GLU 119 CO 0.07 0.00 -0.41 1.49 -1.16 0.00 0.00 179.01 179.00 1a5e h GLU 120 N 0.00 0.00 0.00 2.33 4.81 -0.93 -3.43 114.58 117.37 1a5e h GLU 120 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a5e h GLU 120 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1a5e h GLU 120 CO 0.00 0.20 0.00 1.28 -0.73 0.00 0.00 179.01 179.76 1a5e n LEU 121 N -4.64 0.00 0.00 1.64 4.32 -0.92 -4.93 117.00 112.46 1a5e n LEU 121 Ca -0.08 0.41 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1a5e n LEU 121 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1a5e n LEU 121 CO 0.10 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1a5e n GLY 122 N -0.46 0.00 2.26 -0.72 0.00 -1.04 -5.04 105.19 100.19 1a5e n GLY 122 Ca 0.00 0.00 -0.28 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 0.00 3.02 -0.37 1.61 8.25 -0.78 -4.81 115.22 122.15 1a5e n HIS 123 Ca 0.00 -2.59 0.28 0.00 -0.26 0.00 0.00 57.72 55.14 1a5e n HIS 123 Cb 0.00 -0.53 0.54 0.00 1.12 0.00 0.00 29.99 31.13 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 2.32 0.27 -0.64 -0.41 2.43 -1.94 1.31 114.38 117.71 1a5e h ARG 124 Ca 0.41 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1a5e h ARG 124 Cb 1.14 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1a5e h ARG 124 CO 0.98 0.18 0.28 -0.44 -1.51 0.00 0.00 179.97 179.46 1a5e h ASP 125 N 0.28 0.84 0.52 -3.80 3.32 -1.95 0.57 116.42 116.20 1a5e h ASP 125 Ca 0.71 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 57.36 1a5e h ASP 125 Cb 1.90 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 41.24 1a5e h ASP 125 CO -0.42 0.73 -1.36 0.58 -1.72 0.00 0.00 179.24 177.06 1a5e h VAL 126 N 0.92 1.38 -0.14 -1.35 2.07 0.11 -3.26 116.25 115.97 1a5e h VAL 126 Ca 0.22 -2.93 -0.10 0.00 0.82 0.00 0.00 66.70 64.71 1a5e h VAL 126 Cb 0.14 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1a5e h VAL 126 CO -0.02 0.86 -0.36 0.00 0.02 0.00 0.00 177.57 178.07 1a5e h ALA 127 N 0.47 1.12 0.35 1.67 0.00 0.29 -2.60 119.26 120.57 1a5e h ALA 127 Ca -0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1a5e h ALA 127 Cb 2.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1a5e h ALA 127 CO 0.21 0.57 -0.18 -0.09 0.00 0.00 0.00 179.25 179.75 1a5e h ARG 128 N 0.25 -0.47 -0.43 0.00 2.43 0.09 0.35 114.38 116.59 1a5e h ARG 128 Ca 0.03 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1a5e h ARG 128 Cb 0.76 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1a5e h ARG 128 CO 0.06 -0.32 0.49 -0.92 -1.51 0.00 0.00 179.97 177.77 1a5e h TYR 129 N -0.49 0.00 0.28 2.20 3.20 -1.61 -1.98 116.97 118.56 1a5e h TYR 129 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1a5e h TYR 129 Cb 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1a5e h TYR 129 CO 0.10 0.00 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.42 1a5e h LEU 130 N 0.00 -0.31 -1.35 2.82 3.38 -0.93 -2.80 115.31 116.11 1a5e h LEU 130 Ca 0.21 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1a5e h LEU 130 Cb 1.18 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1a5e h LEU 130 CO -0.00 0.16 0.82 -0.09 0.09 0.00 0.00 178.44 179.42 1a5e h ARG 131 N -1.06 0.00 0.00 1.13 9.65 0.43 1.79 114.38 126.32 1a5e h ARG 131 Ca -0.04 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1a5e h ARG 131 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1a5e h ARG 131 CO 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 179.97 182.83 1a5e h ALA 132 N 0.89 -0.00 0.00 2.80 0.00 -1.48 -3.34 119.26 118.12 1a5e h ALA 132 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a5e h ALA 132 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1a5e h ALA 132 CO -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 179.25 178.97 1a5e n ALA 133 N -2.62 2.68 -2.11 0.00 0.00 0.53 -4.11 120.51 114.88 1a5e n ALA 133 Ca -0.09 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 1a5e n ALA 133 Cb 0.43 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.70 6.40 0.00 0.00 0.00 0.58 -4.26 120.51 121.53 1a5e n ALA 134 Ca 0.05 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1a5e n ALA 134 Cb 0.40 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 0.11 3.82 0.19 0.00 0.00 -1.26 -4.79 105.19 103.26 1a5e n GLY 135 Ca 0.52 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1a5e n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a5e h GLY 136 N 0.00 0.63 -4.63 -0.02 0.00 -1.87 -3.43 103.07 93.76 1a5e h GLY 136 Ca 0.00 -0.63 -0.61 0.00 0.00 0.00 0.00 47.33 46.08 1a5e h GLY 136 CO 0.00 0.57 0.21 -0.37 0.00 0.00 0.00 176.54 176.95 1a5e n THR 137 N -4.38 1.63 -2.92 4.70 5.66 -1.26 -4.94 114.28 112.77 1a5e n THR 137 Ca -0.04 -0.41 -0.13 0.00 -3.05 0.00 0.00 64.05 60.42 1a5e n THR 137 Cb 0.42 -1.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.23 1a5e n THR 137 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1a5e n ARG 138 N 1.09 0.91 -3.87 1.09 1.74 -1.26 -4.96 116.66 111.41 1a5e n ARG 138 Ca 0.11 -2.46 -0.36 0.00 -0.77 0.00 0.00 57.85 54.37 1a5e n ARG 138 Cb 0.30 -1.33 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 1a5e n ARG 138 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1a5e s GLY 139 N -1.65 1.83 -0.11 -0.13 0.00 -1.26 -5.00 107.32 100.98 1a5e s GLY 139 Ca 0.31 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.86 1a5e s GLY 139 CO -0.11 0.35 0.54 1.48 0.00 0.00 0.00 173.10 175.36 1a5e h SER 140 N 7.64 -0.02 -0.97 1.64 4.64 -2.05 -3.35 113.55 121.08 1a5e h SER 140 Ca -0.37 -0.59 -0.65 0.00 -0.47 0.00 0.00 61.79 59.71 1a5e h SER 140 Cb 1.18 0.01 -0.30 0.00 -0.31 0.00 0.00 62.40 62.97 1a5e h SER 140 CO 0.62 0.76 0.69 -3.20 -0.87 0.00 0.00 176.83 174.82 1a5e n ASN 141 N -4.71 7.06 -0.34 4.97 5.15 -1.26 -4.95 115.26 121.19 1a5e n ASN 141 Ca -0.06 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.14 1a5e n ASN 141 Cb 0.29 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 1a5e n ASN 141 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1a5e n HIS 142 N -0.92 -0.07 -3.19 1.20 -0.00 -1.26 -5.16 115.22 105.83 1a5e n HIS 142 Ca 0.61 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.83 1a5e n HIS 142 Cb 0.78 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.62 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a5e s ALA 143 N -2.00 -3.43 1.07 1.57 0.00 -1.26 -5.05 121.76 112.65 1a5e s ALA 143 Ca 0.00 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.46 1a5e s ALA 143 Cb 0.00 -2.40 0.17 0.00 0.00 0.00 0.00 23.12 20.88 1a5e s ALA 143 CO 0.00 -1.21 0.37 0.54 0.00 0.00 0.00 175.76 175.46 1a5e n ARG 144 N 5.04 -2.47 -2.21 0.00 1.74 -1.26 -4.87 116.66 112.62 1a5e n ARG 144 Ca -0.08 -0.63 -0.39 0.00 -0.77 0.00 0.00 57.85 55.99 1a5e n ARG 144 Cb 0.55 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 31.05 1a5e n ARG 144 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1a5e s ILE 145 N -1.48 2.95 -0.88 0.55 1.10 -1.26 -4.80 121.20 117.38 1a5e s ILE 145 Ca 0.29 0.84 -0.27 0.00 -0.51 0.00 0.00 60.65 61.00 1a5e s ILE 145 Cb -0.05 -3.49 -0.20 0.00 0.15 0.00 0.00 42.46 38.87 1a5e s ILE 145 CO 0.24 0.11 2.57 -0.90 -2.11 0.00 0.00 174.94 174.85 1a5e n ASP 146 N 0.24 0.58 -3.10 4.50 5.75 -1.26 -4.77 116.55 118.48 1a5e n ASP 146 Ca 0.03 -0.11 -0.18 0.00 -0.01 0.00 0.00 54.79 54.52 1a5e n ASP 146 Cb 0.45 -1.05 -0.02 0.00 -1.03 0.00 0.00 41.12 39.47 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a5e n ALA 147 N 11.41 1.55 -1.68 2.12 0.00 -1.26 -5.10 120.51 127.55 1a5e n ALA 147 Ca 0.59 -3.03 -0.56 0.00 0.00 0.00 0.00 53.44 50.44 1a5e n ALA 147 Cb 0.17 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 0.71 -0.00 -2.90 0.00 0.00 -1.26 -4.89 120.51 112.16 1a5e n ALA 148 Ca 0.20 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1a5e n ALA 148 Cb 0.63 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.72 1a5e n ALA 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a5e s GLU 149 N 3.86 2.89 0.00 0.00 2.56 -1.26 -4.93 118.70 121.82 1a5e s GLU 149 Ca 0.99 -1.31 0.00 0.00 0.00 0.00 0.00 54.97 54.66 1a5e s GLU 149 Cb -1.04 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 31.09 1a5e s GLU 149 CO 0.64 -0.95 0.00 0.41 -0.56 0.00 0.00 175.26 174.80 1a5e n GLY 150 N 5.12 -0.75 3.78 -1.50 0.00 -1.26 -4.73 105.19 105.85 1a5e n GLY 150 Ca -0.12 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.67 4.02 1.13 1.61 0.04 -1.26 -5.02 135.00 134.86 1a5e s PRO 151 Ca 0.00 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 1a5e s PRO 151 Cb 0.00 -2.45 0.27 0.00 0.04 0.00 0.00 34.50 32.36 1a5e s PRO 151 CO 0.00 -0.27 1.04 -1.54 0.04 0.00 0.00 177.00 176.27 1a5e s SER 152 N -1.57 1.19 0.39 6.66 1.04 -1.26 -4.77 113.70 115.38 1a5e s SER 152 Ca 0.60 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1a5e s SER 152 Cb -0.23 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1a5e s SER 152 CO 0.28 -4.09 0.00 -0.67 0.98 0.00 0.00 173.24 169.74 1a5e n ASP 153 N -4.85 -7.32 -3.73 7.02 -0.08 -1.26 -4.92 116.55 101.41 1a5e n ASP 153 Ca 0.04 1.02 -0.29 0.00 -1.51 0.00 0.00 54.79 54.05 1a5e n ASP 153 Cb 0.54 -3.69 -0.12 0.00 2.34 0.00 0.00 41.12 40.19 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1a5e s ILE 154 N -2.78 1.77 -0.26 5.18 1.09 -1.26 -5.08 121.20 119.86 1a5e s ILE 154 Ca 0.00 -3.20 -0.29 0.00 -1.10 0.00 0.00 60.65 56.06 1a5e s ILE 154 Cb 0.00 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.19 1a5e s ILE 154 CO 0.00 -0.99 1.39 -2.16 -0.10 0.00 0.00 174.94 173.08 1a5e s PRO 155 N -0.35 3.92 0.00 2.79 0.04 -1.26 -5.29 135.00 134.85 1a5e s PRO 155 Ca 0.23 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1a5e s PRO 155 Cb -0.12 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1a5e s PRO 155 CO -0.09 -1.12 0.48 -0.25 0.04 0.00 0.00 177.00 176.05