#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rer s ALA 2 N 0.00 3.44 0.65 3.04 0.00 -1.26 -5.02 121.76 122.61 2rer s ALA 2 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2rer s ALA 2 Cb 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2rer s ALA 2 CO 0.00 0.36 1.09 0.00 0.00 0.00 0.00 175.76 177.21 2rer s ALA 3 N -0.18 2.54 -0.15 0.00 0.00 -0.17 -4.90 121.76 118.89 2rer s ALA 3 Ca 0.07 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 2rer s ALA 3 Cb -0.12 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.78 2rer s ALA 3 CO 0.01 -1.18 0.73 0.50 0.00 0.00 0.00 175.76 175.82 2rer s ARG 4 N -4.15 0.93 0.05 0.00 3.52 -1.26 -1.98 118.95 116.06 2rer s ARG 4 Ca 0.66 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 56.86 2rer s ARG 4 Cb -0.19 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.62 2rer s ARG 4 CO 0.41 -0.23 -0.15 0.95 -0.81 0.00 0.00 175.30 175.47 2rer s THR 5 N -0.54 1.22 -0.23 4.11 -4.23 -0.84 -4.97 115.64 110.16 2rer s THR 5 Ca -0.06 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2rer s THR 5 Cb -0.02 -1.12 0.10 0.00 1.34 0.00 0.00 72.50 72.80 2rer s THR 5 CO 0.06 -0.04 0.23 -0.62 -0.54 0.00 0.00 174.62 173.70 2rer s ASP 6 N -1.38 1.69 -0.02 3.99 -1.08 -1.26 -1.73 116.67 116.89 2rer s ASP 6 Ca 0.02 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 51.62 2rer s ASP 6 Cb -0.09 0.33 -0.01 0.00 -1.46 0.00 0.00 42.92 41.69 2rer s ASP 6 CO 0.02 -0.35 -0.15 0.20 0.52 0.00 0.00 175.17 175.41 2rer s ASN 7 N 2.31 1.79 0.15 -0.34 0.01 -0.73 -5.01 114.94 113.12 2rer s ASN 7 Ca 0.08 -0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.01 2rer s ASN 7 Cb -0.15 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 2rer s ASN 7 CO -0.20 0.17 -0.13 -0.44 -1.51 0.00 0.00 177.10 174.99 2rer s SER 8 N -0.25 2.12 -0.07 -1.22 0.01 -1.26 -0.74 113.70 112.29 2rer s SER 8 Ca 0.04 -0.91 -0.31 0.00 1.31 0.00 0.00 55.95 56.08 2rer s SER 8 Cb -0.07 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.17 2rer s SER 8 CO -0.00 -0.19 0.73 -0.51 0.41 0.00 0.00 173.24 173.68 2rer s ILE 9 N -2.63 0.00 -0.17 1.44 2.07 -0.47 -5.00 121.20 116.43 2rer s ILE 9 Ca 0.14 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.33 2rer s ILE 9 Cb -0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 2rer s ILE 9 CO 0.03 0.00 0.02 -0.69 -1.91 0.00 0.00 174.94 172.39 2rer s VAL 10 N -1.13 4.38 -0.26 4.00 1.01 -1.26 -0.31 120.40 126.82 2rer s VAL 10 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2rer s VAL 10 Cb -0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2rer s VAL 10 CO 0.08 0.47 0.16 -0.69 0.00 0.00 0.00 175.10 175.12 2rer s VAL 11 N 0.43 5.13 -1.22 2.92 1.01 0.76 -4.92 120.40 124.52 2rer s VAL 11 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2rer s VAL 11 Cb -0.13 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2rer s VAL 11 CO 0.02 0.30 2.42 0.59 0.00 0.00 0.00 175.10 178.42 2rer n ASN 12 N 4.78 6.02 -3.86 3.32 5.03 -1.26 0.01 115.26 129.30 2rer n ASN 12 Ca -0.15 -2.50 -0.09 0.00 0.87 0.00 0.00 54.58 52.72 2rer n ASN 12 Cb 0.52 -1.32 -0.04 0.00 -1.02 0.00 0.00 39.78 37.92 2rer n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rer s ALA 13 N 3.09 -0.75 0.58 5.41 0.00 -1.26 -4.83 121.76 124.00 2rer s ALA 13 Ca 0.53 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 2rer s ALA 13 Cb 0.14 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 2rer s ALA 13 CO -0.03 -0.87 1.11 -2.14 0.00 0.00 0.00 175.76 173.83 2rer s PRO 14 N -3.93 3.20 0.22 0.00 0.02 -1.26 -2.87 135.00 130.37 2rer s PRO 14 Ca 0.14 1.50 -0.09 0.00 0.02 0.00 0.00 61.00 62.57 2rer s PRO 14 Cb -0.02 -1.99 0.33 0.00 0.02 0.00 0.00 34.50 32.83 2rer s PRO 14 CO 0.03 -0.95 1.68 0.35 -0.33 0.00 0.00 177.00 177.78 2rer h PHE 15 N 0.80 0.09 -0.25 6.54 3.57 -1.96 -2.23 116.94 123.51 2rer h PHE 15 Ca -0.49 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.12 2rer h PHE 15 Cb 1.25 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 2rer h PHE 15 CO 0.53 -0.11 -0.32 1.49 -2.23 0.00 0.00 178.31 177.67 2rer h GLU 16 N 0.19 -0.32 -0.35 1.11 4.57 -1.99 0.19 114.58 117.98 2rer h GLU 16 Ca 0.34 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.51 2rer h GLU 16 Cb 0.54 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2rer h GLU 16 CO -0.49 -0.21 0.11 1.25 -1.18 0.00 0.00 179.01 178.49 2rer h LEU 17 N -0.33 0.51 -0.76 1.64 5.85 -1.88 -1.08 115.31 119.26 2rer h LEU 17 Ca 0.13 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2rer h LEU 17 Cb 0.54 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2rer h LEU 17 CO -0.44 0.59 0.49 0.58 -0.34 0.00 0.00 178.44 179.32 2rer h VAL 18 N 0.41 1.15 0.23 1.05 2.07 -0.99 -1.46 116.25 118.71 2rer h VAL 18 Ca 0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2rer h VAL 18 Cb 0.26 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2rer h VAL 18 CO -0.00 0.18 -0.11 -0.25 0.02 0.00 0.00 177.57 177.40 2rer h TRP 19 N 0.98 -0.29 -0.83 1.57 2.91 -0.47 -2.50 115.95 117.31 2rer h TRP 19 Ca 0.29 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.36 2rer h TRP 19 Cb -0.05 0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.64 2rer h TRP 19 CO -0.03 0.03 0.55 -0.44 -1.03 0.00 0.00 178.44 177.51 2rer h ASP 20 N -0.62 0.84 0.26 2.65 3.32 -1.08 -0.66 116.42 121.13 2rer h ASP 20 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2rer h ASP 20 Cb 0.45 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2rer h ASP 20 CO 0.05 0.55 -0.13 0.58 -1.72 0.00 0.00 179.24 178.58 2rer h VAL 21 N 0.96 0.58 0.00 -1.35 2.07 -1.30 -3.03 116.25 114.17 2rer h VAL 21 Ca 0.35 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2rer h VAL 21 Cb 0.16 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2rer h VAL 21 CO -0.12 0.14 -0.07 0.71 0.02 0.00 0.00 177.57 178.25 2rer h THR 22 N -0.93 0.77 -0.56 2.57 1.35 -1.34 -1.92 112.91 112.85 2rer h THR 22 Ca -0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2rer h THR 22 Cb 0.50 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2rer h THR 22 CO 0.06 0.07 0.00 0.59 -0.25 0.00 0.00 175.52 175.99 2rer n ASN 23 N -4.05 3.33 -4.45 5.36 3.02 -0.26 -4.66 115.26 113.54 2rer n ASN 23 Ca -0.03 -2.11 -0.44 0.00 -0.03 0.00 0.00 54.58 51.97 2rer n ASN 23 Cb 0.15 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2rer n ASN 23 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2rer s ASP 24 N -0.94 6.95 0.37 6.41 -1.08 -0.72 -4.86 116.67 122.80 2rer s ASP 24 Ca 0.39 -2.73 0.11 0.00 -0.52 0.00 0.00 52.55 49.80 2rer s ASP 24 Cb 0.22 -2.39 0.90 0.00 -1.46 0.00 0.00 42.92 40.19 2rer s ASP 24 CO 0.24 -0.82 1.85 0.40 0.52 0.00 0.00 175.17 177.37 2rer h ILE 25 N 4.97 0.76 0.00 4.11 1.08 -1.86 -1.53 117.51 125.05 2rer h ILE 25 Ca 0.26 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2rer h ILE 25 Cb 0.92 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2rer h ILE 25 CO 1.18 0.11 -0.08 -0.08 -0.69 0.00 0.00 178.15 178.59 2rer h GLU 26 N 0.60 0.00 -0.02 2.37 4.81 -1.89 -2.05 114.58 118.41 2rer h GLU 26 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2rer h GLU 26 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2rer h GLU 26 CO -0.22 0.08 -0.22 0.00 -0.73 0.00 0.00 179.01 177.92 2rer n ALA 27 N -2.24 3.01 0.00 2.92 0.00 -0.58 -4.51 120.51 119.11 2rer n ALA 27 Ca -0.02 -0.54 0.17 0.00 0.00 0.00 0.00 53.44 53.05 2rer n ALA 27 Cb 0.20 -0.98 0.64 0.00 0.00 0.00 0.00 19.45 19.32 2rer n ALA 27 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2rer h TRP 28 N 2.47 0.11 0.00 0.00 4.06 -1.33 -1.53 115.95 119.72 2rer h TRP 28 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2rer h TRP 28 Cb 0.67 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.80 2rer h TRP 28 CO 0.00 0.05 -0.11 -1.35 -3.56 0.00 0.00 178.44 173.47 2rer h PRO 29 N 0.10 0.00 0.00 0.49 0.11 -1.79 0.48 132.00 131.38 2rer h PRO 29 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2rer h PRO 29 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2rer h PRO 29 CO -0.02 0.11 -0.92 0.39 -0.21 0.00 0.00 178.00 177.34 2rer n GLU 30 N -4.38 0.36 -0.07 1.05 4.71 -0.62 -4.30 120.64 117.39 2rer n GLU 30 Ca -0.03 0.04 -0.22 0.00 -0.01 0.00 0.00 57.16 56.94 2rer n GLU 30 Cb 0.18 -1.67 -0.12 0.00 -1.01 0.00 0.00 31.44 28.82 2rer n GLU 30 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2rer n LEU 31 N -2.16 2.22 -4.87 -4.62 4.77 -0.74 -4.92 117.00 106.69 2rer n LEU 31 Ca 0.02 0.30 -0.37 0.00 -0.03 0.00 0.00 56.01 55.93 2rer n LEU 31 Cb 0.46 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 2rer n LEU 31 CO 0.39 0.56 -0.04 -0.36 -1.33 0.00 0.00 177.39 176.61 2rer s PHE 32 N -2.46 3.64 -1.12 -1.77 0.40 0.16 -4.60 117.98 112.23 2rer s PHE 32 Ca -0.28 0.71 0.28 0.00 -0.60 0.00 0.00 56.93 57.04 2rer s PHE 32 Cb 0.08 -2.08 1.14 0.00 0.51 0.00 0.00 43.02 42.66 2rer s PHE 32 CO 0.64 0.67 1.84 0.43 0.70 0.00 0.00 175.22 179.50 2rer n SER 33 N 1.69 0.14 -0.04 1.36 7.64 -1.26 -3.89 113.62 119.26 2rer n SER 33 Ca -0.16 0.17 0.02 0.00 1.01 0.00 0.00 58.87 59.92 2rer n SER 33 Cb 0.53 -0.29 -0.16 0.00 -1.01 0.00 0.00 64.21 63.29 2rer n SER 33 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2rer n GLU 34 N -1.42 0.67 -3.39 1.43 0.28 -1.26 -4.88 120.64 112.07 2rer n GLU 34 Ca 0.08 -0.11 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 2rer n GLU 34 Cb 0.32 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.58 2rer n GLU 34 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2rer s TYR 35 N -3.09 3.36 -0.07 -1.84 2.02 -1.25 -0.65 117.35 115.82 2rer s TYR 35 Ca -0.09 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 2rer s TYR 35 Cb 0.11 -2.52 -0.25 0.00 -0.40 0.00 0.00 41.96 38.89 2rer s TYR 35 CO 0.87 -0.03 0.55 0.00 -1.57 0.00 0.00 175.55 175.37 2rer h ALA 36 N 7.44 0.52 -2.96 3.71 0.00 -0.56 -3.38 119.26 124.04 2rer h ALA 36 Ca -0.36 -1.37 -0.23 0.00 0.00 0.00 0.00 54.91 52.95 2rer h ALA 36 Cb 1.16 0.57 -0.20 0.00 0.00 0.00 0.00 17.79 19.32 2rer h ALA 36 CO 0.71 1.38 -0.72 -1.21 0.00 0.00 0.00 179.25 179.41 2rer s GLU 37 N -2.58 0.51 -0.28 0.00 2.02 0.14 -4.81 118.70 113.69 2rer s GLU 37 Ca -0.14 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2rer s GLU 37 Cb 0.07 -0.15 0.15 0.00 0.10 0.00 0.00 34.13 34.31 2rer s GLU 37 CO 0.80 0.01 0.56 0.00 0.02 0.00 0.00 175.26 176.65 2rer s ALA 38 N -1.79 -1.91 0.01 5.21 0.00 -1.26 -1.46 121.76 120.56 2rer s ALA 38 Ca -0.08 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2rer s ALA 38 Cb -0.07 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2rer s ALA 38 CO -0.01 -1.14 -0.02 -1.83 0.00 0.00 0.00 175.76 172.75 2rer s GLU 39 N 2.80 0.18 -0.16 0.00 -1.05 -0.81 -4.50 118.70 115.17 2rer s GLU 39 Ca 0.10 -0.20 -0.28 0.00 -0.15 0.00 0.00 54.97 54.43 2rer s GLU 39 Cb -0.14 -0.09 -0.01 0.00 -0.44 0.00 0.00 34.13 33.46 2rer s GLU 39 CO -0.19 0.02 0.97 0.42 0.95 0.00 0.00 175.26 177.43 2rer s ILE 40 N -0.38 4.77 0.05 1.83 1.01 -1.26 -0.47 121.20 126.74 2rer s ILE 40 Ca -0.03 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.56 2rer s ILE 40 Cb -0.03 -4.27 -0.26 0.00 0.01 0.00 0.00 42.46 37.91 2rer s ILE 40 CO -0.00 -0.05 1.02 -0.07 0.00 0.00 0.00 174.94 175.84 2rer h LEU 41 N 8.55 0.28 -7.00 2.97 3.38 -1.01 -3.48 115.31 119.00 2rer h LEU 41 Ca -0.27 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.37 2rer h LEU 41 Cb 1.12 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 2rer h LEU 41 CO 0.89 1.28 0.37 0.00 0.09 0.00 0.00 178.44 181.07 2rer s ARG 42 N -2.65 0.85 -0.43 1.13 1.70 -1.14 -5.02 118.95 113.39 2rer s ARG 42 Ca -0.05 0.14 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 2rer s ARG 42 Cb 0.08 0.40 0.15 0.00 -0.57 0.00 0.00 34.95 35.01 2rer s ARG 42 CO 0.85 -0.28 0.28 -1.14 -1.08 0.00 0.00 175.30 173.94 2rer s GLN 43 N -1.38 1.09 -0.32 3.89 0.74 -1.26 -1.51 119.66 120.90 2rer s GLN 43 Ca -0.05 -1.97 -0.14 0.00 0.05 0.00 0.00 55.36 53.25 2rer s GLN 43 Cb -0.00 -1.90 -0.02 0.00 1.10 0.00 0.00 33.01 32.18 2rer s GLN 43 CO 0.04 -1.25 0.30 0.16 -0.55 0.00 0.00 175.29 174.00 2rer s ASP 44 N 0.31 6.13 0.83 6.67 -4.77 -1.24 -4.96 116.67 119.64 2rer s ASP 44 Ca 0.22 -0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.31 2rer s ASP 44 Cb -0.15 -2.17 0.00 0.00 -1.09 0.00 0.00 42.92 39.51 2rer s ASP 44 CO -0.06 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.18 2rer n GLY 45 N 4.98 2.50 0.00 2.12 0.00 -1.26 -3.96 105.19 109.57 2rer n GLY 45 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2rer n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rer n ASP 46 N 1.35 0.00 -3.20 1.61 5.75 -1.26 -4.86 116.55 115.94 2rer n ASP 46 Ca 0.00 0.84 -0.23 0.00 -0.01 0.00 0.00 54.79 55.39 2rer n ASP 46 Cb 0.00 -0.43 0.21 0.00 -1.03 0.00 0.00 41.12 39.87 2rer n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rer n GLY 47 N -0.37 -3.59 3.53 6.12 0.00 -1.25 -4.72 105.19 104.91 2rer n GLY 47 Ca 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 2rer n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2rer s PHE 48 N -2.00 -0.31 -0.09 1.61 -0.12 -0.07 -3.61 117.98 113.38 2rer s PHE 48 Ca 0.51 0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 57.56 2rer s PHE 48 Cb -0.08 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 2rer s PHE 48 CO 0.42 -0.54 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.48 2rer s ASP 49 N -2.50 4.72 0.04 1.98 1.01 -0.57 -0.75 116.67 120.60 2rer s ASP 49 Ca 0.06 -0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.28 2rer s ASP 49 Cb -0.01 -1.37 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 2rer s ASP 49 CO -0.08 0.31 -0.05 0.72 0.21 0.00 0.00 175.17 176.29 2rer s PHE 50 N -0.49 0.46 -0.09 4.23 -0.71 -0.69 -0.31 117.98 120.37 2rer s PHE 50 Ca 0.07 -0.64 -0.04 0.00 -1.04 0.00 0.00 56.93 55.28 2rer s PHE 50 Cb -0.12 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 2rer s PHE 50 CO 0.02 -0.19 0.07 0.50 -1.34 0.00 0.00 175.22 174.28 2rer s ARG 51 N -2.10 3.20 -0.07 1.99 3.52 0.37 -1.53 118.95 124.33 2rer s ARG 51 Ca -0.08 -0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 2rer s ARG 51 Cb -0.06 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 2rer s ARG 51 CO -0.02 0.73 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.49 2rer s LEU 52 N -1.03 1.94 -0.23 -0.88 1.43 -0.13 -1.92 118.68 117.87 2rer s LEU 52 Ca 0.15 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2rer s LEU 52 Cb -0.12 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.00 2rer s LEU 52 CO 0.04 0.14 -0.05 -0.75 0.23 0.00 0.00 176.35 175.97 2rer s LYS 53 N 0.26 1.53 0.90 1.70 2.20 -0.54 -1.47 119.74 124.32 2rer s LYS 53 Ca -0.12 -0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 54.46 2rer s LYS 53 Cb -0.15 -2.51 0.13 0.00 -1.51 0.00 0.00 37.83 33.79 2rer s LYS 53 CO 0.05 -0.59 1.15 0.95 -0.36 0.00 0.00 175.35 176.55 2rer s THR 54 N 1.45 1.99 0.58 3.43 -4.23 0.29 0.07 115.64 119.22 2rer s THR 54 Ca -0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 2rer s THR 54 Cb -0.18 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 70.88 2rer s THR 54 CO -0.06 0.00 0.84 -0.13 -0.54 0.00 0.00 174.62 174.73 2rer s ARG 55 N -5.36 2.65 0.10 3.99 0.52 0.17 -4.33 118.95 116.69 2rer s ARG 55 Ca 0.64 -0.41 -0.34 0.00 -0.52 0.00 0.00 55.73 55.10 2rer s ARG 55 Cb -0.14 -2.37 -0.13 0.00 0.52 0.00 0.00 34.95 32.83 2rer s ARG 55 CO 0.53 -0.76 1.67 -2.30 0.02 0.00 0.00 175.30 174.46 2rer n PRO 56 N -2.49 2.22 0.00 3.54 -0.02 -1.26 -4.66 135.00 132.32 2rer n PRO 56 Ca 0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2rer n PRO 56 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2rer n PRO 56 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2rer n ASP 57 N 4.37 -0.30 0.00 2.55 5.68 -0.45 -4.74 116.55 123.66 2rer n ASP 57 Ca 0.18 -0.73 0.02 0.00 -0.50 0.00 0.00 54.79 53.76 2rer n ASP 57 Cb 0.30 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.37 2rer n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rer n ALA 58 N -3.00 1.24 0.02 2.12 0.00 -1.26 -1.24 120.51 118.40 2rer n ALA 58 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2rer n ALA 58 Cb 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.43 2rer n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rer n ASN 59 N -1.43 1.97 0.00 0.00 3.02 -1.26 -4.99 115.26 112.57 2rer n ASN 59 Ca 0.01 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2rer n ASN 59 Cb 0.04 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2rer n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rer n GLY 60 N -0.01 0.53 3.84 7.41 0.00 -0.37 -5.04 105.19 111.55 2rer n GLY 60 Ca 0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2rer n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rer s ARG 61 N -0.11 3.82 -0.22 1.61 6.06 -1.26 -4.69 118.95 124.17 2rer s ARG 61 Ca 0.00 0.22 -0.06 0.00 -2.50 0.00 0.00 55.73 53.39 2rer s ARG 61 Cb 0.00 -3.24 -0.03 0.00 0.06 0.00 0.00 34.95 31.75 2rer s ARG 61 CO 0.00 0.66 0.03 0.08 -2.50 0.00 0.00 175.30 173.57 2rer s VAL 62 N -0.87 4.12 0.11 7.11 1.01 -1.26 -1.34 120.40 129.28 2rer s VAL 62 Ca 0.20 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2rer s VAL 62 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2rer s VAL 62 CO 0.10 0.40 0.07 0.26 0.00 0.00 0.00 175.10 175.92 2rer s TRP 63 N 1.17 3.11 -0.10 5.22 0.52 -1.26 -4.95 118.94 122.65 2rer s TRP 63 Ca 0.03 0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.11 2rer s TRP 63 Cb -0.14 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.65 2rer s TRP 63 CO 0.02 0.51 0.24 -2.00 0.02 0.00 0.00 176.95 175.74 2rer s GLU 64 N -2.57 0.23 0.23 4.98 2.12 -1.26 -0.54 118.70 121.89 2rer s GLU 64 Ca 0.29 0.44 -0.17 0.00 0.36 0.00 0.00 54.97 55.89 2rer s GLU 64 Cb -0.11 -0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.27 2rer s GLU 64 CO 0.21 -0.11 0.54 1.67 -0.54 0.00 0.00 175.26 177.03 2rer s TRP 65 N 0.79 0.02 -0.04 5.30 -2.14 -0.54 -4.99 118.94 117.34 2rer s TRP 65 Ca -0.05 -0.40 0.03 0.00 2.66 0.00 0.00 56.10 58.34 2rer s TRP 65 Cb -0.07 0.38 -0.03 0.00 -3.10 0.00 0.00 33.47 30.66 2rer s TRP 65 CO -0.05 -1.00 -0.11 0.08 -2.66 0.00 0.00 176.95 173.21 2rer s VAL 66 N -3.93 3.33 0.13 -0.66 1.01 -1.26 -0.96 120.40 118.07 2rer s VAL 66 Ca 0.14 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2rer s VAL 66 Cb -0.02 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2rer s VAL 66 CO 0.03 0.56 -0.06 -0.44 0.00 0.00 0.00 175.10 175.19 2rer s SER 67 N -0.88 1.38 -0.11 3.32 0.01 -0.59 -0.08 113.70 116.76 2rer s SER 67 Ca 0.13 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2rer s SER 67 Cb -0.11 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2rer s SER 67 CO 0.02 -0.45 -0.12 -2.28 0.41 0.00 0.00 173.24 170.82 2rer s HIS 68 N -3.53 2.82 -0.03 2.43 2.46 -0.10 -1.71 115.29 117.63 2rer s HIS 68 Ca 0.17 -0.45 0.02 0.00 0.47 0.00 0.00 55.06 55.27 2rer s HIS 68 Cb 0.05 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.70 2rer s HIS 68 CO -0.01 -0.06 -0.09 0.50 -2.47 0.00 0.00 174.74 172.61 2rer s ARG 69 N 0.02 1.02 -0.40 2.88 3.52 0.07 -1.41 118.95 124.65 2rer s ARG 69 Ca -0.04 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2rer s ARG 69 Cb -0.14 -0.94 0.12 0.00 -1.56 0.00 0.00 34.95 32.43 2rer s ARG 69 CO 0.04 0.11 0.18 0.08 -0.81 0.00 0.00 175.30 174.89 2rer s VAL 70 N 0.23 1.45 0.33 7.11 1.01 0.11 -0.89 120.40 129.75 2rer s VAL 70 Ca -0.04 -2.26 -0.26 0.00 0.00 0.00 0.00 61.98 59.42 2rer s VAL 70 Cb -0.09 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2rer s VAL 70 CO 0.01 -0.79 1.00 -2.16 0.00 0.00 0.00 175.10 173.16 2rer s PRO 71 N 0.73 4.47 -0.50 2.72 0.04 -1.26 -2.21 135.00 138.98 2rer s PRO 71 Ca 0.15 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2rer s PRO 71 Cb -0.22 -2.81 0.17 0.00 0.04 0.00 0.00 34.50 31.68 2rer s PRO 71 CO -0.08 0.15 0.40 -3.47 0.04 0.00 0.00 177.00 174.04 2rer n ASP 72 N 0.52 0.64 -0.34 6.66 -0.08 0.57 -4.90 116.55 119.62 2rer n ASP 72 Ca 0.02 -2.65 0.11 0.00 -1.51 0.00 0.00 54.79 50.76 2rer n ASP 72 Cb 0.49 -0.62 0.30 0.00 2.34 0.00 0.00 41.12 43.63 2rer n ASP 72 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2rer h LYS 73 N 5.50 0.82 -0.54 -0.67 3.64 -1.96 0.76 116.57 124.12 2rer h LYS 73 Ca 0.23 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2rer h LYS 73 Cb 0.86 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2rer h LYS 73 CO 0.48 0.54 0.24 0.78 -2.27 0.00 0.00 179.45 179.22 2rer h GLY 74 N 0.84 0.75 -0.57 5.01 0.00 -1.93 -1.38 103.07 105.79 2rer h GLY 74 Ca 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2rer h GLY 74 CO -0.30 0.06 -0.01 1.44 0.00 0.00 0.00 176.54 177.73 2rer n SER 75 N -4.93 1.61 -3.66 0.19 7.64 -0.70 -4.95 113.62 108.82 2rer n SER 75 Ca 0.06 -1.53 -0.21 0.00 1.01 0.00 0.00 58.87 58.20 2rer n SER 75 Cb 0.18 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 2rer n SER 75 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rer n ARG 76 N 0.25 -5.26 -3.80 1.43 1.74 0.18 -4.89 116.66 106.31 2rer n ARG 76 Ca 0.18 0.66 -0.10 0.00 -0.77 0.00 0.00 57.85 57.83 2rer n ARG 76 Cb 0.37 -5.31 -0.06 0.00 -1.02 0.00 0.00 32.46 26.45 2rer n ARG 76 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2rer s THR 77 N -3.60 0.07 -0.09 0.55 -1.32 -0.97 -1.85 115.64 108.43 2rer s THR 77 Ca 0.02 -0.98 -0.11 0.00 -1.21 0.00 0.00 61.69 59.41 2rer s THR 77 Cb -0.01 -1.51 0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2rer s THR 77 CO 0.80 -0.31 0.29 0.54 -2.21 0.00 0.00 174.62 173.72 2rer s VAL 78 N -3.88 0.01 0.03 5.08 0.11 -0.49 -0.32 120.40 120.94 2rer s VAL 78 Ca 0.09 -0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2rer s VAL 78 Cb 0.02 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2rer s VAL 78 CO -0.06 -0.05 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.29 2rer s ARG 79 N -0.09 1.91 0.15 1.54 1.81 -0.94 -1.74 118.95 121.60 2rer s ARG 79 Ca -0.02 -1.05 -0.18 0.00 -1.72 0.00 0.00 55.73 52.76 2rer s ARG 79 Cb -0.03 -2.04 0.04 0.00 -0.45 0.00 0.00 34.95 32.48 2rer s ARG 79 CO 0.01 0.53 0.48 0.00 -0.68 0.00 0.00 175.30 175.64 2rer s ALA 80 N -0.80 -1.09 -0.15 2.13 0.00 -0.86 0.09 121.76 121.08 2rer s ALA 80 Ca 0.12 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2rer s ALA 80 Cb -0.10 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.90 2rer s ALA 80 CO 0.02 -0.72 0.83 -3.38 0.00 0.00 0.00 175.76 172.51 2rer s HIS 81 N -3.81 -0.57 0.27 0.00 -3.43 -0.50 0.10 115.29 107.35 2rer s HIS 81 Ca 0.04 1.11 -0.29 0.00 -0.80 0.00 0.00 55.06 55.12 2rer s HIS 81 Cb 0.00 0.39 -0.10 0.00 -1.43 0.00 0.00 32.58 31.45 2rer s HIS 81 CO -0.10 -0.44 1.25 1.03 -2.00 0.00 0.00 174.74 174.48 2rer s ARG 82 N -0.73 4.44 -0.16 -0.38 0.52 -0.60 -0.92 118.95 121.12 2rer s ARG 82 Ca -0.05 2.05 -0.09 0.00 -0.52 0.00 0.00 55.73 57.12 2rer s ARG 82 Cb -0.02 -3.15 -0.23 0.00 0.52 0.00 0.00 34.95 32.08 2rer s ARG 82 CO 0.04 -0.10 0.24 0.28 0.02 0.00 0.00 175.30 175.77 2rer n VAL 83 N 1.53 1.69 -3.43 3.52 0.31 0.88 -4.45 118.33 118.38 2rer n VAL 83 Ca 0.02 -0.51 -0.44 0.00 -0.01 0.00 0.00 64.34 63.40 2rer n VAL 83 Cb 0.43 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 2rer n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2rer s GLU 84 N -2.51 3.53 0.49 5.55 2.02 -0.87 -4.92 118.70 121.98 2rer s GLU 84 Ca -0.26 -2.72 0.21 0.00 0.02 0.00 0.00 54.97 52.23 2rer s GLU 84 Cb 0.07 -4.29 1.26 0.00 0.10 0.00 0.00 34.13 31.26 2rer s GLU 84 CO 0.70 -1.26 1.98 1.79 0.02 0.00 0.00 175.26 178.50 2rer h THR 85 N 4.56 0.78 0.00 3.63 1.35 -1.83 -3.42 112.91 117.99 2rer h THR 85 Ca 0.11 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2rer h THR 85 Cb 0.97 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2rer h THR 85 CO 0.81 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2rer n GLY 86 N -1.59 3.57 0.03 5.82 0.00 -1.26 -1.65 105.19 110.11 2rer n GLY 86 Ca 0.10 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2rer n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rer n PRO 87 N 13.59 0.05 -3.41 1.61 -0.04 -1.26 -4.75 135.00 140.78 2rer n PRO 87 Ca 0.00 0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 63.32 2rer n PRO 87 Cb 0.00 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 2rer n PRO 87 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2rer s PHE 88 N -3.06 3.68 0.19 0.54 0.08 -0.66 -0.60 117.98 118.16 2rer s PHE 88 Ca 0.08 1.05 0.02 0.00 0.12 0.00 0.00 56.93 58.20 2rer s PHE 88 Cb 0.12 -2.34 0.11 0.00 -0.57 0.00 0.00 43.02 40.33 2rer s PHE 88 CO 0.36 0.54 1.46 0.00 -0.10 0.00 0.00 175.22 177.48 2rer h ALA 89 N 4.13 0.66 -1.53 5.36 0.00 -0.09 -3.43 119.26 124.36 2rer h ALA 89 Ca -0.50 -0.62 0.11 0.00 0.00 0.00 0.00 54.91 53.90 2rer h ALA 89 Cb 1.21 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.69 2rer h ALA 89 CO 0.64 0.80 0.60 1.52 0.00 0.00 0.00 179.25 182.82 2rer s TYR 90 N -3.52 -0.32 -0.19 0.00 -0.85 -1.23 -4.96 117.35 106.28 2rer s TYR 90 Ca -0.04 0.53 -0.04 0.00 -0.52 0.00 0.00 57.07 56.99 2rer s TYR 90 Cb 0.11 0.46 0.09 0.00 0.38 0.00 0.00 41.96 43.00 2rer s TYR 90 CO 0.82 -0.31 0.21 1.41 -1.52 0.00 0.00 175.55 176.16 2rer s MET 91 N -1.22 0.17 -0.04 -3.49 1.75 -1.26 -2.90 119.30 112.30 2rer s MET 91 Ca 0.00 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.71 2rer s MET 91 Cb -0.01 -1.10 -0.03 0.00 2.84 0.00 0.00 34.83 36.54 2rer s MET 91 CO -0.00 -0.60 -0.06 -0.80 -0.65 0.00 0.00 175.02 172.90 2rer s ASN 92 N 2.32 4.68 0.07 1.11 0.02 0.87 -1.56 114.94 122.45 2rer s ASN 92 Ca 0.06 -0.06 0.09 0.00 -1.02 0.00 0.00 52.86 51.93 2rer s ASN 92 Cb -0.15 -1.15 -0.03 0.00 0.02 0.00 0.00 41.25 39.94 2rer s ASN 92 CO -0.11 0.33 -0.23 -0.22 0.02 0.00 0.00 177.10 176.89 2rer s LEU 93 N -1.06 2.22 -0.18 0.60 0.20 0.11 -0.76 118.68 119.80 2rer s LEU 93 Ca 0.14 -0.61 -0.04 0.00 0.69 0.00 0.00 54.13 54.31 2rer s LEU 93 Cb -0.11 -1.09 0.09 0.00 -0.43 0.00 0.00 46.19 44.65 2rer s LEU 93 CO 0.04 0.17 0.28 -2.28 -0.29 0.00 0.00 176.35 174.27 2rer s HIS 94 N -0.91 -0.47 -0.05 5.38 2.46 0.30 -2.03 115.29 119.97 2rer s HIS 94 Ca 0.10 0.71 0.04 0.00 0.47 0.00 0.00 55.06 56.37 2rer s HIS 94 Cb -0.10 -0.12 -0.03 0.00 -0.13 0.00 0.00 32.58 32.21 2rer s HIS 94 CO 0.03 -0.52 -0.15 -1.58 -2.47 0.00 0.00 174.74 170.05 2rer s TRP 95 N 2.42 2.69 0.10 3.88 0.52 -0.71 -0.40 118.94 127.44 2rer s TRP 95 Ca 0.05 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.06 2rer s TRP 95 Cb -0.14 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 2rer s TRP 95 CO -0.11 0.18 -0.12 0.95 0.02 0.00 0.00 176.95 177.86 2rer s THR 96 N -0.73 1.11 -0.03 2.01 -4.23 -0.40 -1.40 115.64 111.97 2rer s THR 96 Ca 0.11 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 2rer s THR 96 Cb -0.11 -1.33 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 2rer s THR 96 CO 0.00 -0.43 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.19 2rer s TYR 97 N -2.03 1.51 -0.04 3.99 1.51 -0.77 -1.45 117.35 120.07 2rer s TYR 97 Ca 0.04 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2rer s TYR 97 Cb -0.05 -1.01 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2rer s TYR 97 CO 0.02 -0.12 0.09 0.50 -1.11 0.00 0.00 175.55 174.93 2rer s ARG 98 N -0.05 0.05 0.07 -0.62 3.52 0.05 -4.89 118.95 117.09 2rer s ARG 98 Ca -0.01 0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 55.52 2rer s ARG 98 Cb -0.10 -0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.11 2rer s ARG 98 CO 0.01 -0.12 1.25 0.00 -0.81 0.00 0.00 175.30 175.64 2rer s ALA 99 N 0.77 3.45 0.28 6.12 0.00 -1.26 0.29 121.76 131.41 2rer s ALA 99 Ca -0.06 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.85 2rer s ALA 99 Cb -0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2rer s ALA 99 CO -0.03 -0.50 0.18 0.14 0.00 0.00 0.00 175.76 175.55 2rer s VAL 100 N 1.12 0.16 -0.54 0.00 -7.23 -0.74 -4.90 120.40 108.28 2rer s VAL 100 Ca 0.60 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 2rer s VAL 100 Cb -0.31 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2rer s VAL 100 CO 0.29 0.00 1.81 0.00 -0.31 0.00 0.00 175.10 176.90 2rer s ALA 101 N -3.71 2.39 0.00 1.32 0.00 -1.26 -2.15 121.76 118.34 2rer s ALA 101 Ca 0.38 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2rer s ALA 101 Cb 0.05 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2rer s ALA 101 CO 0.19 -3.51 0.00 0.41 0.00 0.00 0.00 175.76 172.84 2rer n GLY 102 N 5.59 1.38 0.00 0.00 0.00 -1.26 -5.05 105.19 105.86 2rer n GLY 102 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2rer n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rer n GLY 103 N 0.00 -0.14 3.05 -0.02 0.00 -0.91 -4.06 105.19 103.11 2rer n GLY 103 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2rer n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rer s THR 104 N -1.86 1.66 -0.09 2.61 2.01 0.10 -1.79 115.64 118.29 2rer s THR 104 Ca 0.00 -0.71 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 2rer s THR 104 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2rer s THR 104 CO 0.00 0.47 0.63 -0.70 -0.69 0.00 0.00 174.62 174.34 2rer s GLU 105 N 1.29 4.39 -0.16 4.92 2.12 0.15 -0.17 118.70 131.24 2rer s GLU 105 Ca 0.01 0.74 -0.04 0.00 0.36 0.00 0.00 54.97 56.05 2rer s GLU 105 Cb -0.14 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2rer s GLU 105 CO -0.08 0.06 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.04 2rer s MET 106 N 0.84 3.68 -0.17 4.30 -1.94 0.58 -0.77 119.30 125.82 2rer s MET 106 Ca 0.34 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.82 2rer s MET 106 Cb -0.17 -2.94 0.03 0.00 2.01 0.00 0.00 34.83 33.77 2rer s MET 106 CO 0.15 0.26 -0.11 0.50 -0.01 0.00 0.00 175.02 175.81 2rer s ARG 107 N 0.32 2.07 -0.20 2.03 3.52 -0.53 -1.37 118.95 124.79 2rer s ARG 107 Ca -0.03 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.87 2rer s ARG 107 Cb -0.14 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.03 2rer s ARG 107 CO 0.03 -0.33 -0.01 -1.58 -0.81 0.00 0.00 175.30 172.59 2rer s TRP 108 N 1.47 3.02 -0.04 5.12 0.51 0.08 -1.28 118.94 127.82 2rer s TRP 108 Ca 0.02 -0.54 0.06 0.00 -2.12 0.00 0.00 56.10 53.53 2rer s TRP 108 Cb -0.14 -2.08 -0.01 0.00 -0.81 0.00 0.00 33.47 30.43 2rer s TRP 108 CO -0.09 -0.28 -0.23 0.08 -0.51 0.00 0.00 176.95 175.91 2rer s VAL 109 N 1.04 1.91 -0.01 4.03 1.01 0.46 -1.77 120.40 127.08 2rer s VAL 109 Ca 0.02 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2rer s VAL 109 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2rer s VAL 109 CO 0.01 0.53 -0.24 -1.10 0.00 0.00 0.00 175.10 174.31 2rer s GLN 110 N -0.25 1.89 -0.11 2.72 -0.21 -0.70 -0.54 119.66 122.46 2rer s GLN 110 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.50 2rer s GLN 110 Cb -0.12 -1.87 0.02 0.00 1.00 0.00 0.00 33.01 32.04 2rer s GLN 110 CO 0.02 0.51 -0.12 -1.21 -2.12 0.00 0.00 175.29 172.37 2rer s GLU 111 N -0.69 1.88 0.37 2.91 0.41 0.06 -1.98 118.70 121.66 2rer s GLU 111 Ca 0.09 -0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 54.10 2rer s GLU 111 Cb -0.09 -1.72 0.04 0.00 -1.78 0.00 0.00 34.13 30.58 2rer s GLU 111 CO -0.00 -0.15 0.71 -0.59 -0.49 0.00 0.00 175.26 174.74 2rer s PHE 112 N 1.27 0.33 -0.28 1.61 -0.71 -0.84 -0.09 117.98 119.26 2rer s PHE 112 Ca -0.02 -0.89 -0.15 0.00 -1.04 0.00 0.00 56.93 54.83 2rer s PHE 112 Cb -0.14 0.62 0.10 0.00 -1.21 0.00 0.00 43.02 42.38 2rer s PHE 112 CO -0.05 -1.45 0.72 0.34 -1.34 0.00 0.00 175.22 173.45 2rer s ASP 113 N -3.10 -0.92 0.49 1.98 2.15 -1.14 -1.00 116.67 115.12 2rer s ASP 113 Ca 0.19 1.43 -0.20 0.00 0.43 0.00 0.00 52.55 54.40 2rer s ASP 113 Cb -0.04 1.48 -0.09 0.00 -0.30 0.00 0.00 42.92 43.98 2rer s ASP 113 CO 0.13 -0.22 1.02 -0.04 -0.17 0.00 0.00 175.17 175.89 2rer s MET 114 N 1.77 3.86 0.33 4.34 -1.94 -1.26 0.59 119.30 126.98 2rer s MET 114 Ca -0.09 1.27 -0.26 0.00 -1.71 0.00 0.00 55.69 54.90 2rer s MET 114 Cb -0.06 -2.11 -0.10 0.00 2.01 0.00 0.00 34.83 34.58 2rer s MET 114 CO -0.19 -0.37 0.98 0.15 -0.01 0.00 0.00 175.02 175.57 2rer s LYS 115 N -3.35 4.52 -0.19 2.03 1.02 0.23 -4.52 119.74 119.47 2rer s LYS 115 Ca 0.65 1.41 -0.29 0.00 0.02 0.00 0.00 55.97 57.76 2rer s LYS 115 Cb -0.14 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2rer s LYS 115 CO 0.21 0.20 1.96 -1.25 -0.92 0.00 0.00 175.35 175.55 2rer s PRO 116 N -2.06 3.49 0.00 -1.68 0.04 -1.26 -1.29 135.00 132.25 2rer s PRO 116 Ca 0.51 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2rer s PRO 116 Cb -0.21 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2rer s PRO 116 CO 0.26 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.03 2rer n GLY 117 N 5.24 0.92 3.79 0.56 0.00 -1.26 -5.11 105.19 109.33 2rer n GLY 117 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2rer n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rer s ALA 118 N -2.00 2.76 0.60 4.61 0.00 -0.41 -4.92 121.76 122.39 2rer s ALA 118 Ca 0.00 0.62 0.30 0.00 0.00 0.00 0.00 51.96 52.87 2rer s ALA 118 Cb 0.00 -3.28 1.68 0.00 0.00 0.00 0.00 23.12 21.51 2rer s ALA 118 CO 0.00 -0.63 2.08 -1.35 0.00 0.00 0.00 175.76 175.86 2rer h PRO 119 N 1.08 0.00 -6.61 0.00 0.11 -1.93 -3.42 132.00 121.24 2rer h PRO 119 Ca -0.49 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 2rer h PRO 119 Cb 1.23 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.13 2rer h PRO 119 CO 0.58 0.00 -0.85 -0.06 -0.21 0.00 0.00 178.00 177.46 2rer s PHE 120 N -4.57 2.12 0.36 0.65 0.40 -1.26 -5.11 117.98 110.56 2rer s PHE 120 Ca -0.05 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 2rer s PHE 120 Cb 0.15 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 2rer s PHE 120 CO 0.52 0.31 0.43 0.16 0.70 0.00 0.00 175.22 177.34 2rer s ASP 121 N -2.07 5.65 0.27 1.36 -4.77 -1.26 -4.85 116.67 111.00 2rer s ASP 121 Ca 0.12 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.01 2rer s ASP 121 Cb -0.10 -1.00 0.57 0.00 -1.09 0.00 0.00 42.92 41.30 2rer s ASP 121 CO 0.06 -0.49 1.76 0.78 0.70 0.00 0.00 175.17 177.98 2rer h ASN 122 N 0.95 0.56 0.34 2.11 -0.26 -1.98 -1.63 115.58 115.66 2rer h ASN 122 Ca -0.44 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.38 2rer h ASN 122 Cb 1.26 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 2rer h ASN 122 CO 0.53 0.22 -0.16 0.00 -1.06 0.00 0.00 177.43 176.96 2rer h ALA 123 N 1.58 -0.45 -0.21 -0.83 0.00 -2.00 -1.95 119.26 115.39 2rer h ALA 123 Ca 0.48 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 2rer h ALA 123 Cb 0.71 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2rer h ALA 123 CO -0.37 -0.71 -0.26 0.45 0.00 0.00 0.00 179.25 178.36 2rer h HIS 124 N -0.54 0.44 -0.22 0.00 3.86 -1.90 -2.76 115.15 114.03 2rer h HIS 124 Ca -0.05 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 58.92 2rer h HIS 124 Cb 0.40 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2rer h HIS 124 CO -0.03 0.63 -0.50 1.98 0.86 0.00 0.00 177.93 180.87 2rer h MET 125 N 0.35 0.61 -0.65 2.45 -1.53 -1.30 -1.69 114.93 113.18 2rer h MET 125 Ca 0.05 -0.36 0.03 0.00 -3.44 0.00 0.00 59.70 55.98 2rer h MET 125 Cb 0.64 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.68 2rer h MET 125 CO 0.05 0.97 0.40 1.15 0.14 0.00 0.00 176.91 179.62 2rer h THR 126 N 0.48 1.08 -0.31 -0.77 2.02 -1.16 0.28 112.91 114.53 2rer h THR 126 Ca 0.02 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2rer h THR 126 Cb 1.04 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2rer h THR 126 CO 0.10 0.14 0.02 0.00 0.37 0.00 0.00 175.52 176.15 2rer h ALA 127 N 1.28 0.41 -0.49 6.16 0.00 -1.33 -1.71 119.26 123.58 2rer h ALA 127 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2rer h ALA 127 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2rer h ALA 127 CO -0.10 0.14 0.27 1.25 0.00 0.00 0.00 179.25 180.80 2rer h HIS 128 N 0.34 0.67 -0.42 0.00 6.17 -0.81 -2.34 115.15 118.77 2rer h HIS 128 Ca 0.09 -0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.05 2rer h HIS 128 Cb 0.40 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 2rer h HIS 128 CO 0.03 0.50 -0.15 -0.07 0.71 0.00 0.00 177.93 178.95 2rer h LEU 129 N 0.65 0.79 -0.46 0.26 3.38 -0.40 -2.12 115.31 117.40 2rer h LEU 129 Ca 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2rer h LEU 129 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2rer h LEU 129 CO -0.03 0.95 0.24 0.78 0.09 0.00 0.00 178.44 180.47 2rer h ASN 130 N 0.71 0.59 0.09 -0.43 -0.26 -1.12 0.86 115.58 116.02 2rer h ASN 130 Ca 0.11 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2rer h ASN 130 Cb 0.65 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2rer h ASN 130 CO 0.05 0.53 -0.04 0.74 -1.06 0.00 0.00 177.43 177.64 2rer h THR 131 N 0.60 0.94 -0.58 2.81 2.02 -1.25 -0.65 112.91 116.80 2rer h THR 131 Ca 0.16 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 2rer h THR 131 Cb 0.08 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2rer h THR 131 CO -0.02 0.02 -0.06 0.71 0.37 0.00 0.00 175.52 176.54 2rer h THR 132 N -0.17 1.27 -0.24 3.16 1.35 -1.32 -2.16 112.91 114.80 2rer h THR 132 Ca -0.01 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.61 2rer h THR 132 Cb 0.13 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 2rer h THR 132 CO 0.02 0.44 0.11 0.74 -0.25 0.00 0.00 175.52 176.58 2rer h THR 133 N 0.96 1.15 -0.83 6.82 2.02 -0.74 -0.44 112.91 121.85 2rer h THR 133 Ca 0.16 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2rer h THR 133 Cb 0.63 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2rer h THR 133 CO 0.04 0.14 0.46 0.03 0.37 0.00 0.00 175.52 176.57 2rer h ARG 134 N 0.25 1.15 -0.60 6.66 3.08 -1.05 0.78 114.38 124.64 2rer h ARG 134 Ca 0.08 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2rer h ARG 134 Cb 0.13 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2rer h ARG 134 CO -0.01 0.84 0.19 0.00 -1.07 0.00 0.00 179.97 179.91 2rer h ALA 135 N 1.25 0.79 -0.36 0.04 0.00 -1.16 -1.97 119.26 117.83 2rer h ALA 135 Ca 0.29 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2rer h ALA 135 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2rer h ALA 135 CO -0.05 0.46 -0.14 -0.91 0.00 0.00 0.00 179.25 178.61 2rer h ASN 136 N 0.86 0.75 -0.23 0.00 2.35 -0.60 -2.17 115.58 116.54 2rer h ASN 136 Ca 0.19 -0.39 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 2rer h ASN 136 Cb 0.29 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2rer h ASN 136 CO -0.01 0.97 -0.04 0.24 -1.65 0.00 0.00 177.43 176.94 2rer h MET 137 N 0.53 0.57 -0.37 0.81 2.86 -0.75 -0.58 114.93 117.99 2rer h MET 137 Ca 0.09 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 2rer h MET 137 Cb 0.67 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2rer h MET 137 CO 0.05 0.62 -0.34 0.93 1.06 0.00 0.00 176.91 179.23 2rer h GLU 138 N 0.54 0.86 -0.44 1.72 5.08 -1.27 -1.39 114.58 119.67 2rer h GLU 138 Ca 0.11 -0.42 -0.14 0.00 -1.00 0.00 0.00 59.36 57.90 2rer h GLU 138 Cb 0.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2rer h GLU 138 CO 0.02 1.06 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.71 2rer h ARG 139 N 0.71 0.97 -0.47 2.33 2.43 -1.00 -2.35 114.38 117.00 2rer h ARG 139 Ca 0.07 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 2rer h ARG 139 Cb 0.91 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2rer h ARG 139 CO 0.08 1.13 -0.18 0.82 -1.51 0.00 0.00 179.97 180.31 2rer h ILE 140 N 0.81 1.27 -0.30 1.20 2.04 -1.08 -1.83 117.51 119.62 2rer h ILE 140 Ca 0.09 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.64 2rer h ILE 140 Cb 0.88 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2rer h ILE 140 CO 0.08 0.45 0.17 0.50 0.00 0.00 0.00 178.15 179.35 2rer h LYS 141 N 0.81 0.34 -0.18 2.37 3.64 -1.13 -0.79 116.57 121.64 2rer h LYS 141 Ca 0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2rer h LYS 141 Cb 0.73 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2rer h LYS 141 CO 0.06 0.23 0.10 -0.22 -2.27 0.00 0.00 179.45 177.34 2rer h LYS 142 N 0.35 0.24 -0.20 1.90 3.11 -1.27 -0.81 116.57 119.89 2rer h LYS 142 Ca 0.12 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2rer h LYS 142 Cb 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 2rer h LYS 142 CO -0.06 0.23 0.11 0.82 -2.81 0.00 0.00 179.45 177.74 2rer h ILE 143 N 0.19 1.01 -0.22 2.00 2.04 -1.14 -0.64 117.51 120.74 2rer h ILE 143 Ca 0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2rer h ILE 143 Cb 0.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2rer h ILE 143 CO -0.01 0.04 0.08 0.40 0.00 0.00 0.00 178.15 178.66 2rer h ILE 144 N 0.23 1.18 -0.58 -0.67 2.04 -1.05 -2.06 117.51 116.60 2rer h ILE 144 Ca 0.08 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2rer h ILE 144 Cb 0.00 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2rer h ILE 144 CO -0.04 0.18 0.39 -0.33 0.00 0.00 0.00 178.15 178.35 2rer h GLU 145 N 0.20 0.77 -0.28 2.37 5.08 -0.98 -0.24 114.58 121.49 2rer h GLU 145 Ca 0.07 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2rer h GLU 145 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2rer h GLU 145 CO -0.00 0.51 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.04 2rer h ASP 146 N 0.79 0.51 -0.76 1.42 3.32 -0.85 0.56 116.42 121.41 2rer h ASP 146 Ca 0.21 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2rer h ASP 146 Cb -0.09 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2rer h ASP 146 CO -0.05 0.73 0.49 0.03 -1.72 0.00 0.00 179.24 178.72 2rer h ARG 147 N 0.29 1.02 -0.16 3.56 2.47 -0.81 -1.84 114.38 118.90 2rer h ARG 147 Ca 0.08 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2rer h ARG 147 Cb 0.48 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2rer h ARG 147 CO 0.02 0.69 0.07 1.25 0.56 0.00 0.00 179.97 182.56 2rer h HIS 148 N 1.04 0.25 0.00 3.04 2.76 -0.84 -2.91 115.15 118.48 2rer h HIS 148 Ca 0.28 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.39 2rer h HIS 148 Cb -0.09 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 2rer h HIS 148 CO -0.01 0.30 -0.20 0.00 -1.30 0.00 0.00 177.93 176.71 2rer h ARG 149 N 0.12 0.00 -0.73 5.26 3.08 -0.67 -2.73 114.38 118.71 2rer h ARG 149 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2rer h ARG 149 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2rer h ARG 149 CO -0.01 0.20 0.27 0.93 -1.07 0.00 0.00 179.97 180.29 2rer h GLU 150 N 0.00 1.10 -0.70 0.04 5.08 -1.14 -2.67 114.58 116.30 2rer h GLU 150 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2rer h GLU 150 Cb 0.42 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2rer h GLU 150 CO 0.03 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 179.37 2rer n GLY 151 N -0.81 0.77 0.69 -3.84 0.00 -1.03 -3.28 105.19 97.69 2rer n GLY 151 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2rer n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rer n GLN 152 N -0.14 2.67 0.00 1.61 6.02 -1.00 -4.55 117.38 122.00 2rer n GLN 152 Ca 0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 2rer n GLN 152 Cb 0.18 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2rer n GLN 152 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2rer n ARG 153 N 0.64 1.76 0.03 -1.09 1.74 -1.21 -4.80 116.66 113.73 2rer n ARG 153 Ca 0.12 -0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 56.82 2rer n ARG 153 Cb 0.43 -0.60 -0.14 0.00 -1.02 0.00 0.00 32.46 31.13 2rer n ARG 153 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2rer h THR 154 N 0.19 1.37 0.00 0.55 2.02 -1.80 -3.54 112.91 111.70 2rer h THR 154 Ca 0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2rer h THR 154 Cb 0.09 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2rer h THR 154 CO 0.00 0.70 0.00 -0.81 0.37 0.00 0.00 175.52 175.78