#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpi n ASN 2 N 0.00 -1.71 -4.61 7.83 3.02 -1.26 -4.84 115.26 113.70 2rpi n ASN 2 Ca 0.00 0.30 -0.45 0.00 -0.03 0.00 0.00 54.58 54.40 2rpi n ASN 2 Cb 0.00 -0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rpi n PRO 3 N -1.61 1.50 -0.30 3.52 -0.02 -1.26 -4.85 135.00 131.98 2rpi n PRO 3 Ca 0.00 0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2rpi n PRO 3 Cb 0.13 -1.97 0.06 0.00 -0.02 0.00 0.00 33.50 31.70 2rpi n PRO 3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rpi h SER 4 N 2.44 -1.06 0.00 2.55 0.87 -2.02 -3.23 113.55 113.09 2rpi h SER 4 Ca -0.41 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2rpi h SER 4 Cb 1.33 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 2rpi h SER 4 CO 0.63 -0.29 0.00 -2.65 -0.53 0.00 0.00 176.83 173.99 2rpi n PRO 5 N -5.50 0.00 0.16 2.24 -0.02 -1.26 -4.89 135.00 125.73 2rpi n PRO 5 Ca 0.10 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2rpi n PRO 5 Cb 0.40 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 2rpi n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rpi n ARG 6 N -0.52 0.00 -3.15 -0.52 1.74 -1.22 -5.10 116.66 107.89 2rpi n ARG 6 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2rpi n ARG 6 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2rpi n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2rpi s LYS 7 N -2.00 0.07 -0.07 5.56 2.47 -1.26 -4.63 119.74 119.88 2rpi s LYS 7 Ca 0.00 0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.21 2rpi s LYS 7 Cb 0.00 0.05 -0.02 0.00 -1.46 0.00 0.00 37.83 36.40 2rpi s LYS 7 CO 0.00 -0.12 1.06 0.50 0.16 0.00 0.00 175.35 176.95 2rpi s ARG 8 N 2.98 4.42 -0.12 4.03 3.52 -1.26 -1.75 118.95 130.77 2rpi s ARG 8 Ca 0.18 1.48 -0.01 0.00 -0.13 0.00 0.00 55.73 57.24 2rpi s ARG 8 Cb -0.03 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2rpi s ARG 8 CO -0.18 -0.32 -0.07 0.08 -0.81 0.00 0.00 175.30 174.01 2rpi s VAL 9 N 1.91 3.61 -1.08 7.11 1.01 -0.54 -4.93 120.40 127.50 2rpi s VAL 9 Ca 0.51 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2rpi s VAL 9 Cb -0.21 -2.54 0.20 0.00 0.00 0.00 0.00 36.38 33.83 2rpi s VAL 9 CO 0.20 0.53 1.21 0.00 0.00 0.00 0.00 175.10 177.04 2rpi s ALA 10 N 0.02 4.08 -0.31 5.51 0.00 -1.26 0.14 121.76 129.93 2rpi s ALA 10 Ca -0.01 -3.37 -0.13 0.00 0.00 0.00 0.00 51.96 48.45 2rpi s ALA 10 Cb -0.14 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 2rpi s ALA 10 CO 0.03 -2.60 0.29 -1.17 0.00 0.00 0.00 175.76 172.31 2rpi s LEU 11 N 0.88 4.25 -0.47 0.00 0.20 -1.22 -4.99 118.68 117.33 2rpi s LEU 11 Ca 0.35 -0.10 -0.17 0.00 0.69 0.00 0.00 54.13 54.90 2rpi s LEU 11 Cb -0.06 -2.25 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 2rpi s LEU 11 CO -0.05 -0.20 0.46 -0.36 -0.29 0.00 0.00 176.35 175.91 2rpi s PHE 12 N 1.89 3.18 -1.00 5.38 0.08 -1.26 -0.68 117.98 125.56 2rpi s PHE 12 Ca 0.10 -0.69 -0.25 0.00 0.12 0.00 0.00 56.93 56.20 2rpi s PHE 12 Cb -0.16 -3.17 -0.15 0.00 -0.57 0.00 0.00 43.02 38.97 2rpi s PHE 12 CO 0.11 -0.83 2.13 0.95 -0.10 0.00 0.00 175.22 177.49 2rpi s THR 13 N 2.01 3.18 -0.59 0.64 -4.23 -0.44 -4.70 115.64 111.51 2rpi s THR 13 Ca 0.09 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 2rpi s THR 13 Cb -0.21 -3.86 0.38 0.00 1.34 0.00 0.00 72.50 70.16 2rpi s THR 13 CO 0.10 -0.35 1.32 -0.90 -0.54 0.00 0.00 174.62 174.24 2rpi n ASP 14 N 17.63 5.43 0.00 3.99 5.75 -1.26 -4.66 116.55 143.43 2rpi n ASP 14 Ca 0.43 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 2rpi n ASP 14 Cb 0.46 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpi n GLY 15 N -0.42 0.00 0.64 6.12 0.00 -1.26 -4.94 105.19 105.32 2rpi n GLY 15 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2rpi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpi n ALA 16 N -1.96 0.00 -1.61 4.61 0.00 -1.26 -5.04 120.51 115.25 2rpi n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rpi n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rpi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpi n ALA 17 N -2.60 -3.04 -0.60 0.00 0.00 -1.26 -5.03 120.51 107.98 2rpi n ALA 17 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2rpi n ALA 17 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2rpi n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2rpi n LEU 18 N 0.02 0.00 -4.49 0.00 -0.00 -1.26 -4.74 117.00 106.54 2rpi n LEU 18 Ca 0.00 -0.01 -0.35 0.00 -0.00 0.00 0.00 56.01 55.65 2rpi n LEU 18 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 2rpi n LEU 18 CO 0.04 0.40 0.13 0.61 -0.00 0.00 0.00 177.39 178.58 2rpi n GLY 19 N 0.00 -1.42 0.30 1.47 0.00 -1.26 -4.72 105.19 99.56 2rpi n GLY 19 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.62 2rpi n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rpi h ASN 20 N -0.74 -0.24 0.05 1.61 -1.24 -2.03 0.52 115.58 113.50 2rpi h ASN 20 Ca -0.45 0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.76 2rpi h ASN 20 Cb 1.32 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.71 2rpi h ASN 20 CO 0.41 -0.19 -0.02 -0.65 -1.29 0.00 0.00 177.43 175.69 2rpi h PRO 21 N 0.13 -0.06 0.00 6.67 0.11 -2.05 -3.49 132.00 133.31 2rpi h PRO 21 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2rpi h PRO 21 Cb 0.93 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2rpi h PRO 21 CO -0.70 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 177.51 2rpi n GLY 22 N -0.98 2.19 0.12 -0.55 0.00 0.18 -4.78 105.19 101.38 2rpi n GLY 22 Ca -0.08 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.91 2rpi n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rpi n PRO 23 N -1.28 0.07 0.19 1.61 -0.02 -1.26 -3.33 135.00 130.98 2rpi n PRO 23 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2rpi n PRO 23 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2rpi n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rpi n GLY 24 N -1.29 -0.29 0.00 -1.23 0.00 -1.26 -3.61 105.19 97.51 2rpi n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rpi n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rpi n THR 25 N -1.70 0.00 -0.04 2.61 -2.24 -1.23 -5.01 114.28 106.67 2rpi n THR 25 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2rpi n THR 25 Cb 0.65 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2rpi h THR 26 N 0.00 1.31 -0.63 4.28 1.35 -1.61 -2.44 112.91 115.17 2rpi h THR 26 Ca 0.00 -1.85 0.11 0.00 -0.55 0.00 0.00 66.41 64.12 2rpi h THR 26 Cb 0.00 1.96 -0.08 0.00 -1.73 0.00 0.00 68.15 68.30 2rpi h THR 26 CO 0.00 0.58 0.21 -1.13 -0.25 0.00 0.00 175.52 174.92 2rpi h ASN 27 N 0.42 0.16 -0.61 5.36 -0.00 -1.80 1.93 115.58 121.04 2rpi h ASN 27 Ca -0.03 0.09 -0.02 0.00 -0.00 0.00 0.00 56.30 56.34 2rpi h ASN 27 Cb 1.24 0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 39.63 2rpi h ASN 27 CO 0.13 0.09 0.30 0.78 -0.00 0.00 0.00 177.43 178.73 2rpi h ASN 28 N 0.36 0.80 -0.61 1.15 2.35 -1.83 0.85 115.58 118.66 2rpi h ASN 28 Ca 0.33 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2rpi h ASN 28 Cb 0.44 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2rpi h ASN 28 CO -0.35 0.70 0.01 -0.09 -1.65 0.00 0.00 177.43 176.05 2rpi h ARG 29 N 0.84 1.07 -0.61 0.81 2.43 -0.39 0.43 114.38 118.95 2rpi h ARG 29 Ca 0.21 -0.34 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 2rpi h ARG 29 Cb 0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2rpi h ARG 29 CO -0.03 1.04 0.07 0.52 -1.51 0.00 0.00 179.97 180.06 2rpi h MET 30 N 0.97 1.04 -0.43 0.20 2.86 0.37 1.87 114.93 121.80 2rpi h MET 30 Ca 0.17 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 2rpi h MET 30 Cb 0.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2rpi h MET 30 CO 0.03 0.98 -0.06 0.93 1.06 0.00 0.00 176.91 179.86 2rpi h GLU 31 N 0.94 0.74 -0.39 1.72 5.08 0.11 0.29 114.58 123.07 2rpi h GLU 31 Ca 0.18 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2rpi h GLU 31 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2rpi h GLU 31 CO 0.02 0.79 -0.33 1.25 -1.00 0.00 0.00 179.01 179.73 2rpi h LEU 32 N 0.68 0.94 -0.43 1.33 5.85 0.82 -1.52 115.31 122.98 2rpi h LEU 32 Ca 0.13 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2rpi h LEU 32 Cb 0.50 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2rpi h LEU 32 CO 0.03 1.18 0.20 0.50 -0.34 0.00 0.00 178.44 180.01 2rpi h LYS 33 N 0.75 0.62 0.00 1.25 3.11 0.38 -1.57 116.57 121.10 2rpi h LYS 33 Ca 0.07 -0.10 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 2rpi h LYS 33 Cb 0.91 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 2rpi h LYS 33 CO 0.08 0.55 -0.23 0.00 -2.81 0.00 0.00 179.45 177.04 2rpi h ALA 34 N 1.04 1.54 0.42 5.00 0.00 -0.34 -2.54 119.26 124.39 2rpi h ALA 34 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2rpi h ALA 34 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2rpi h ALA 34 CO -0.02 0.28 -0.20 0.00 0.00 0.00 0.00 179.25 179.31 2rpi h ALA 35 N 1.77 -0.57 -0.90 0.00 0.00 -0.44 0.97 119.26 120.09 2rpi h ALA 35 Ca -0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.89 2rpi h ALA 35 Cb 0.42 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2rpi h ALA 35 CO 0.03 -0.63 0.58 0.97 0.00 0.00 0.00 179.25 180.20 2rpi h ILE 36 N -0.94 0.75 -0.11 0.00 -0.00 -1.23 0.61 117.51 116.60 2rpi h ILE 36 Ca -0.06 -0.19 -0.21 0.00 -0.00 0.00 0.00 64.86 64.40 2rpi h ILE 36 Cb 0.56 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 37.52 2rpi h ILE 36 CO 0.10 0.10 -0.77 -0.33 -0.00 0.00 0.00 178.15 177.25 2rpi h GLU 37 N 0.57 0.59 0.00 2.19 5.08 -1.31 0.14 114.58 121.84 2rpi h GLU 37 Ca 0.47 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2rpi h GLU 37 Cb 0.93 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2rpi h GLU 37 CO -0.21 1.12 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 2rpi n GLY 38 N 0.66 -0.86 0.00 -3.84 0.00 0.33 0.26 105.19 101.74 2rpi n GLY 38 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2rpi n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rpi n LEU 39 N -1.18 0.00 -0.06 0.99 4.77 0.34 -4.66 117.00 117.20 2rpi n LEU 39 Ca 0.12 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2rpi n LEU 39 Cb 0.13 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2rpi n LEU 39 CO 0.14 0.00 -0.98 1.17 -1.33 0.00 0.00 177.39 176.40 2rpi n LYS 40 N -1.18 0.68 -0.10 3.23 4.81 0.48 -3.62 118.16 122.46 2rpi n LYS 40 Ca 0.00 -0.04 0.05 0.00 -0.87 0.00 0.00 58.31 57.45 2rpi n LYS 40 Cb 0.00 -1.54 0.16 0.00 0.02 0.00 0.00 35.03 33.67 2rpi n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi n ALA 41 N -2.58 2.48 0.03 3.14 0.00 0.14 -4.18 120.51 119.54 2rpi n ALA 41 Ca -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2rpi n ALA 41 Cb 0.97 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2rpi n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rpi n LEU 42 N 0.09 0.72 -0.98 0.00 4.77 -1.26 -4.99 117.00 115.35 2rpi n LEU 42 Ca 0.09 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2rpi n LEU 42 Cb 0.19 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2rpi n LEU 42 CO 0.06 -0.50 -0.12 0.29 -1.33 0.00 0.00 177.39 175.79 2rpi n LYS 43 N -3.32 -1.67 -3.48 3.23 5.02 -1.24 -4.92 118.16 111.78 2rpi n LYS 43 Ca 0.00 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 2rpi n LYS 43 Cb 0.17 -5.38 -0.07 0.00 -0.02 0.00 0.00 35.03 29.73 2rpi n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rpi s GLU 44 N -3.08 2.66 -0.80 1.97 0.41 -1.26 -5.02 118.70 113.57 2rpi s GLU 44 Ca 0.00 -1.80 -0.33 0.00 -0.41 0.00 0.00 54.97 52.44 2rpi s GLU 44 Cb 0.00 -4.04 -0.19 0.00 -1.78 0.00 0.00 34.13 28.12 2rpi s GLU 44 CO 0.00 -1.24 2.53 -2.30 -0.49 0.00 0.00 175.26 173.77 2rpi n PRO 45 N 4.93 0.21 -4.06 0.39 -0.02 -1.26 -4.88 135.00 130.31 2rpi n PRO 45 Ca -0.08 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 2rpi n PRO 45 Cb 0.41 -1.82 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 2rpi n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rpi s ALA 46 N 8.79 0.49 -1.14 3.55 0.00 -1.26 -4.44 121.76 127.74 2rpi s ALA 46 Ca 1.26 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2rpi s ALA 46 Cb -1.13 0.15 0.14 0.00 0.00 0.00 0.00 23.12 22.28 2rpi s ALA 46 CO 0.49 -0.18 1.40 -1.21 0.00 0.00 0.00 175.76 176.26 2rpi s GLU 47 N -2.47 3.93 -0.38 0.00 2.02 -0.71 -3.05 118.70 118.04 2rpi s GLU 47 Ca -0.04 -2.23 -0.29 0.00 0.02 0.00 0.00 54.97 52.43 2rpi s GLU 47 Cb -0.03 -5.10 0.02 0.00 0.10 0.00 0.00 34.13 29.11 2rpi s GLU 47 CO -0.03 -1.85 1.17 0.08 0.02 0.00 0.00 175.26 174.65 2rpi s VAL 48 N 2.36 4.27 -1.39 2.63 1.01 -1.26 -1.47 120.40 126.56 2rpi s VAL 48 Ca 0.42 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 2rpi s VAL 48 Cb -0.02 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2rpi s VAL 48 CO -0.02 -0.69 2.22 -0.67 0.00 0.00 0.00 175.10 175.95 2rpi n ASP 49 N 7.53 3.88 -4.58 3.32 -0.08 0.36 -0.35 116.55 126.65 2rpi n ASP 49 Ca 0.13 -2.81 -0.40 0.00 -1.51 0.00 0.00 54.79 50.20 2rpi n ASP 49 Cb 0.48 -1.60 -0.03 0.00 2.34 0.00 0.00 41.12 42.31 2rpi n ASP 49 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2rpi s LEU 50 N 2.01 3.42 -0.47 -2.67 0.20 -0.78 -3.46 118.68 116.94 2rpi s LEU 50 Ca 0.49 1.28 -0.23 0.00 0.69 0.00 0.00 54.13 56.36 2rpi s LEU 50 Cb 0.14 -3.05 0.03 0.00 -0.43 0.00 0.00 46.19 42.88 2rpi s LEU 50 CO -0.07 -2.26 0.78 -0.31 -0.29 0.00 0.00 176.35 174.20 2rpi s TYR 51 N 9.36 2.97 -0.25 5.38 2.02 0.14 -1.29 117.35 135.69 2rpi s TYR 51 Ca 0.90 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 2rpi s TYR 51 Cb -0.23 -3.68 0.06 0.00 -0.40 0.00 0.00 41.96 37.71 2rpi s TYR 51 CO 0.30 -1.04 -0.12 -0.08 -1.57 0.00 0.00 175.55 173.04 2rpi s THR 52 N 3.27 2.17 -0.56 -0.71 -1.32 -0.83 -1.33 115.64 116.34 2rpi s THR 52 Ca 0.28 -1.57 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 2rpi s THR 52 Cb -0.13 -2.25 0.33 0.00 -1.51 0.00 0.00 72.50 68.94 2rpi s THR 52 CO 0.21 0.02 2.10 -0.90 -2.21 0.00 0.00 174.62 173.84 2rpi n ASP 53 N 4.45 7.18 -4.94 8.08 5.75 -1.26 -3.58 116.55 132.24 2rpi n ASP 53 Ca -0.15 -3.51 -0.23 0.00 -0.01 0.00 0.00 54.79 50.89 2rpi n ASP 53 Cb 0.43 -1.04 -0.03 0.00 -1.03 0.00 0.00 41.12 39.45 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2rpi s SER 54 N -0.89 6.21 0.00 -1.12 0.01 -1.26 -4.92 113.70 111.73 2rpi s SER 54 Ca 0.52 0.07 0.21 0.00 1.31 0.00 0.00 55.95 58.06 2rpi s SER 54 Cb 0.41 -1.81 0.53 0.00 0.21 0.00 0.00 66.02 65.36 2rpi s SER 54 CO -0.08 -0.01 1.45 1.41 0.41 0.00 0.00 173.24 176.42 2rpi n HIS 55 N -1.00 0.45 -0.05 2.43 8.25 -1.26 -3.67 115.22 120.38 2rpi n HIS 55 Ca -0.08 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.06 2rpi n HIS 55 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2rpi n HIS 55 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2rpi n TYR 56 N 1.07 0.00 -0.19 4.41 9.36 -1.26 -4.02 117.16 126.53 2rpi n TYR 56 Ca 0.18 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.32 2rpi n TYR 56 Cb 0.50 -0.35 0.02 0.00 -0.63 0.00 0.00 39.34 38.88 2rpi n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rpi h LEU 57 N -0.27 0.74 0.31 2.98 4.07 -1.93 -2.22 115.31 118.99 2rpi h LEU 57 Ca -0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 2rpi h LEU 57 Cb 1.24 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2rpi h LEU 57 CO -0.12 0.70 -0.15 0.50 -1.08 0.00 0.00 178.44 178.29 2rpi h LYS 58 N 0.74 -0.40 -0.93 1.13 3.64 -1.84 -2.58 116.57 116.33 2rpi h LYS 58 Ca 0.18 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.80 2rpi h LYS 58 Cb 0.18 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 31.92 2rpi h LYS 58 CO -0.02 -0.08 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.72 2rpi h LYS 59 N -0.94 0.01 0.53 1.90 3.64 -1.69 0.97 116.57 121.00 2rpi h LYS 59 Ca -0.04 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2rpi h LYS 59 Cb 0.51 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2rpi h LYS 59 CO 0.07 0.01 -0.25 0.00 -2.27 0.00 0.00 179.45 177.00 2rpi h ALA 60 N 1.92 -0.83 -0.40 5.00 0.00 -1.45 -2.13 119.26 121.38 2rpi h ALA 60 Ca 0.48 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2rpi h ALA 60 Cb 0.83 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2rpi h ALA 60 CO -0.92 -0.77 0.20 0.35 0.00 0.00 0.00 179.25 178.10 2rpi h PHE 61 N -1.01 0.36 0.00 0.00 3.04 -0.96 -2.11 116.94 116.25 2rpi h PHE 61 Ca -0.07 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 2rpi h PHE 61 Cb 0.54 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2rpi h PHE 61 CO 0.03 0.19 -0.23 1.79 -2.02 0.00 0.00 178.31 178.06 2rpi h THR 62 N 0.40 1.14 0.00 4.41 1.35 0.85 0.00 112.91 121.07 2rpi h THR 62 Ca 0.17 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2rpi h THR 62 Cb 0.08 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2rpi h THR 62 CO -0.12 0.23 0.00 -0.62 -0.25 0.00 0.00 175.52 174.76 2rpi n GLU 63 N -4.23 0.36 -0.44 4.72 1.02 -0.80 -4.85 120.64 116.43 2rpi n GLU 63 Ca -0.02 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2rpi n GLU 63 Cb 0.29 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2rpi n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpi n GLY 64 N 0.92 0.09 0.00 0.62 0.00 -0.01 -4.65 105.19 102.16 2rpi n GLY 64 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2rpi n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rpi n TRP 65 N -0.73 0.00 -0.00 1.61 2.14 -1.25 -3.41 117.44 115.80 2rpi n TRP 65 Ca -0.01 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.59 2rpi n TRP 65 Cb 0.16 0.00 0.39 0.00 -0.81 0.00 0.00 31.31 31.05 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2rpi h LEU 66 N 0.00 0.48 -0.24 5.67 6.46 -1.83 0.71 115.31 126.56 2rpi h LEU 66 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2rpi h LEU 66 Cb 0.00 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2rpi h LEU 66 CO 0.00 0.40 0.07 -0.08 -0.62 0.00 0.00 178.44 178.21 2rpi h GLU 67 N 0.54 0.38 -0.69 1.25 4.81 -1.96 -2.22 114.58 116.69 2rpi h GLU 67 Ca 0.14 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2rpi h GLU 67 Cb 0.04 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2rpi h GLU 67 CO -0.02 0.46 0.43 0.78 -0.73 0.00 0.00 179.01 179.93 2rpi h GLY 68 N 0.22 1.00 -0.64 1.92 0.00 -1.16 -1.84 103.07 102.57 2rpi h GLY 68 Ca 0.08 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.23 2rpi h GLY 68 CO -0.00 0.27 -0.28 1.49 0.00 0.00 0.00 176.54 178.02 2rpi h TRP 69 N 0.84 -0.70 -0.74 5.60 4.06 0.93 1.65 115.95 127.59 2rpi h TRP 69 Ca 0.28 0.08 0.07 0.00 2.06 0.00 0.00 58.89 61.38 2rpi h TRP 69 Cb 0.03 0.43 -0.06 0.00 -1.00 0.00 0.00 29.16 28.56 2rpi h TRP 69 CO -0.04 -0.37 0.42 0.00 -3.56 0.00 0.00 178.44 174.89 2rpi h ARG 70 N -0.05 0.74 -0.00 0.49 3.08 -1.05 0.11 114.38 117.71 2rpi h ARG 70 Ca 0.34 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2rpi h ARG 70 Cb 0.59 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2rpi h ARG 70 CO -0.82 0.49 -0.03 1.63 -1.07 0.00 0.00 179.97 180.17 2rpi n LYS 71 N -4.74 0.37 -0.21 0.04 4.01 0.22 -3.11 118.16 114.73 2rpi n LYS 71 Ca 0.10 -0.03 0.11 0.00 -0.51 0.00 0.00 58.31 57.98 2rpi n LYS 71 Cb 0.19 -1.50 0.26 0.00 -0.51 0.00 0.00 35.03 33.47 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2rpi n ARG 72 N -1.29 2.37 -0.78 1.97 1.74 0.50 -4.90 116.66 116.26 2rpi n ARG 72 Ca 0.13 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 2rpi n ARG 72 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2rpi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rpi n GLY 73 N 1.44 0.15 1.87 -0.13 0.00 -1.01 -3.76 105.19 103.76 2rpi n GLY 73 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2rpi n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rpi n TRP 74 N -2.09 -1.15 -4.19 1.61 7.02 -0.90 -5.03 117.44 112.71 2rpi n TRP 74 Ca 0.00 0.50 -0.12 0.00 -1.02 0.00 0.00 57.50 56.86 2rpi n TRP 74 Cb 0.19 -2.25 -0.10 0.00 -2.42 0.00 0.00 31.31 26.72 2rpi n TRP 74 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rpi s ARG 75 N -0.74 1.14 0.70 -0.99 3.00 -1.25 -3.74 118.95 117.08 2rpi s ARG 75 Ca 0.02 -1.59 -0.05 0.00 0.00 0.00 0.00 55.73 54.11 2rpi s ARG 75 Cb -0.01 0.22 0.07 0.00 0.00 0.00 0.00 34.95 35.24 2rpi s ARG 75 CO 0.23 -0.35 0.99 0.95 0.00 0.00 0.00 175.30 177.13 2rpi s THR 76 N -4.10 2.31 -0.63 0.02 -4.23 0.21 -4.68 115.64 104.54 2rpi s THR 76 Ca 0.35 -0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 2rpi s THR 76 Cb 0.07 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 71.03 2rpi s THR 76 CO 0.09 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.38 2rpi n ALA 77 N -2.87 0.94 -0.05 3.99 0.00 -1.26 -1.27 120.51 120.00 2rpi n ALA 77 Ca 0.09 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2rpi n ALA 77 Cb 0.60 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 2rpi n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rpi n GLU 78 N -1.76 0.69 0.00 0.00 2.13 -1.26 -5.00 120.64 115.44 2rpi n GLU 78 Ca -0.01 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2rpi n GLU 78 Cb 0.06 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.10 2rpi n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rpi n GLY 79 N 1.88 -0.09 3.90 8.31 0.00 -0.39 -5.14 105.19 113.65 2rpi n GLY 79 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2rpi n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rpi s LYS 80 N 0.00 3.40 0.89 1.61 -2.85 -1.26 -4.71 119.74 116.82 2rpi s LYS 80 Ca 0.00 -0.39 -0.17 0.00 -1.00 0.00 0.00 55.97 54.42 2rpi s LYS 80 Cb 0.00 -3.05 -0.12 0.00 -2.06 0.00 0.00 37.83 32.60 2rpi s LYS 80 CO 0.00 0.65 -0.46 -2.30 0.10 0.00 0.00 175.35 173.34 2rpi n PRO 81 N 0.70 -0.01 -3.18 1.78 -0.02 -1.26 0.67 135.00 133.67 2rpi n PRO 81 Ca -0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.01 2rpi n PRO 81 Cb 0.52 -1.16 -0.06 0.00 -0.02 0.00 0.00 33.50 32.79 2rpi n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rpi s VAL 82 N -2.04 4.79 0.35 -1.45 1.01 -1.24 -4.27 120.40 117.55 2rpi s VAL 82 Ca 0.47 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 2rpi s VAL 82 Cb -0.25 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 2rpi s VAL 82 CO 0.77 0.46 0.76 -0.54 0.00 0.00 0.00 175.10 176.55 2rpi s LYS 83 N -0.53 3.95 0.00 2.72 -0.14 -1.26 -3.48 119.74 121.00 2rpi s LYS 83 Ca 0.32 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.57 2rpi s LYS 83 Cb -0.19 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 2rpi s LYS 83 CO 0.19 0.09 0.00 0.09 -0.76 0.00 0.00 175.35 174.96 2rpi n ASN 84 N -0.66 -2.85 0.11 2.83 5.03 -1.26 -4.79 115.26 113.67 2rpi n ASN 84 Ca 0.03 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.65 2rpi n ASN 84 Cb 0.53 -2.04 0.46 0.00 -1.02 0.00 0.00 39.78 37.71 2rpi n ASN 84 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2rpi h ARG 85 N 0.68 0.00 0.01 3.52 -0.00 -1.98 1.10 114.38 117.70 2rpi h ARG 85 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.79 2rpi h ARG 85 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.35 2rpi h ARG 85 CO 0.00 0.00 -0.73 0.22 -0.00 0.00 0.00 179.97 179.46 2rpi h ASP 86 N 0.00 0.63 -0.28 0.08 3.58 -1.89 0.88 116.42 119.43 2rpi h ASP 86 Ca 0.19 -0.76 -0.09 0.00 0.42 0.00 0.00 57.03 56.80 2rpi h ASP 86 Cb 1.83 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.68 2rpi h ASP 86 CO -0.00 1.31 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.44 2rpi h LEU 87 N 0.02 0.62 0.78 2.28 3.38 0.77 -2.29 115.31 120.87 2rpi h LEU 87 Ca -0.09 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 2rpi h LEU 87 Cb 1.43 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.01 2rpi h LEU 87 CO 0.14 0.91 -0.37 -0.50 0.09 0.00 0.00 178.44 178.71 2rpi h TRP 88 N 0.34 -0.97 -0.65 1.13 4.06 -1.07 1.39 115.95 120.17 2rpi h TRP 88 Ca 0.06 -0.02 0.19 0.00 2.06 0.00 0.00 58.89 61.18 2rpi h TRP 88 Cb 0.69 0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 2rpi h TRP 88 CO 0.06 -0.60 0.54 0.93 -3.56 0.00 0.00 178.44 175.81 2rpi h GLU 89 N -1.13 0.00 0.14 0.49 5.08 -0.89 1.12 114.58 119.39 2rpi h GLU 89 Ca -0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.97 2rpi h GLU 89 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2rpi h GLU 89 CO 0.18 0.00 -1.40 0.00 -1.00 0.00 0.00 179.01 176.78 2rpi h ALA 90 N 1.53 0.11 -0.64 3.43 0.00 -1.10 -2.52 119.26 120.08 2rpi h ALA 90 Ca 0.31 -1.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2rpi h ALA 90 Cb 1.39 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2rpi h ALA 90 CO -0.00 0.79 0.23 1.25 0.00 0.00 0.00 179.25 181.52 2rpi h LEU 91 N -0.20 0.90 -0.44 0.00 6.46 0.42 1.00 115.31 123.45 2rpi h LEU 91 Ca -0.29 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.25 2rpi h LEU 91 Cb 1.84 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.52 2rpi h LEU 91 CO 0.11 0.85 0.13 0.25 -0.62 0.00 0.00 178.44 179.17 2rpi h LEU 92 N 0.91 0.64 -0.65 2.25 5.85 0.11 0.95 115.31 125.36 2rpi h LEU 92 Ca 0.21 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2rpi h LEU 92 Cb 0.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2rpi h LEU 92 CO -0.01 0.68 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.60 2rpi h LEU 93 N 0.57 0.94 -0.15 2.25 3.38 -1.09 -2.16 115.31 119.05 2rpi h LEU 93 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2rpi h LEU 93 Cb 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rpi h LEU 93 CO -0.00 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.58 2rpi n ALA 94 N -2.49 2.12 1.27 1.53 0.00 0.34 -2.93 120.51 120.33 2rpi n ALA 94 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2rpi n ALA 94 Cb 0.39 -1.44 0.34 0.00 0.00 0.00 0.00 19.45 18.74 2rpi n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rpi n MET 95 N -2.07 1.36 0.02 0.00 2.81 0.33 -4.28 117.12 115.28 2rpi n MET 95 Ca 0.05 -0.90 -0.13 0.00 -1.81 0.00 0.00 57.70 54.91 2rpi n MET 95 Cb 0.35 -1.48 -0.09 0.00 -0.71 0.00 0.00 33.22 31.30 2rpi n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rpi h ALA 96 N 4.07 -0.02 -0.48 3.04 0.00 -1.39 -3.18 119.26 121.29 2rpi h ALA 96 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2rpi h ALA 96 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2rpi h ALA 96 CO 0.00 -0.37 0.17 -1.35 0.00 0.00 0.00 179.25 177.70 2rpi h PRO 97 N -0.31 0.69 -6.76 0.00 0.11 -1.80 -3.44 132.00 120.49 2rpi h PRO 97 Ca -0.00 -0.11 -0.47 0.00 0.11 0.00 0.00 66.00 65.54 2rpi h PRO 97 Cb 0.30 -0.12 0.03 0.00 0.11 0.00 0.00 31.00 31.31 2rpi h PRO 97 CO 0.00 0.59 -0.05 -1.01 -0.21 0.00 0.00 178.00 177.33 2rpi s HIS 98 N -5.28 3.29 -2.85 0.65 3.76 -1.20 -4.51 115.29 109.15 2rpi s HIS 98 Ca -0.09 0.36 0.24 0.00 -0.15 0.00 0.00 55.06 55.42 2rpi s HIS 98 Cb 0.16 -2.33 0.34 0.00 1.11 0.00 0.00 32.58 31.87 2rpi s HIS 98 CO 0.77 -0.36 1.35 0.54 -0.85 0.00 0.00 174.74 176.18 2rpi n ARG 99 N -2.14 2.26 0.00 1.40 3.00 -1.17 -4.93 116.66 115.09 2rpi n ARG 99 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 57.85 56.00 2rpi n ARG 99 Cb 0.57 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.56 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2rpi n VAL 100 N 1.21 0.00 -3.72 1.55 3.14 -1.21 -4.78 118.33 114.51 2rpi n VAL 100 Ca 0.15 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.22 2rpi n VAL 100 Cb 0.57 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.30 2rpi n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rpi s ARG 101 N 0.00 3.58 -0.17 1.45 0.52 0.53 -4.87 118.95 119.99 2rpi s ARG 101 Ca 0.00 -0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.01 2rpi s ARG 101 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2rpi s ARG 101 CO 0.00 0.50 -0.02 -0.06 0.02 0.00 0.00 175.30 175.74 2rpi s PHE 102 N -1.62 3.05 -0.40 -0.53 0.40 -1.26 -1.87 117.98 115.75 2rpi s PHE 102 Ca 0.39 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2rpi s PHE 102 Cb -0.12 -1.99 0.14 0.00 0.51 0.00 0.00 43.02 41.55 2rpi s PHE 102 CO 0.25 -0.05 0.23 -1.01 0.70 0.00 0.00 175.22 175.35 2rpi s HIS 103 N 0.47 1.42 -0.65 0.36 3.76 -0.41 -4.95 115.29 115.29 2rpi s HIS 103 Ca -0.02 -2.08 -0.26 0.00 -0.15 0.00 0.00 55.06 52.54 2rpi s HIS 103 Cb -0.14 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2rpi s HIS 103 CO 0.02 -0.80 1.95 -0.06 -0.85 0.00 0.00 174.74 175.01 2rpi s PHE 104 N 0.64 1.60 -1.16 1.40 0.08 -1.26 -1.96 117.98 117.32 2rpi s PHE 104 Ca 0.18 0.88 -0.10 0.00 0.12 0.00 0.00 56.93 58.02 2rpi s PHE 104 Cb -0.22 -4.01 0.24 0.00 -0.57 0.00 0.00 43.02 38.46 2rpi s PHE 104 CO -0.00 -2.22 1.36 0.28 -0.10 0.00 0.00 175.22 174.54 2rpi n VAL 105 N 7.46 4.58 0.55 -0.44 0.31 -1.23 -4.94 118.33 124.61 2rpi n VAL 105 Ca 0.26 -5.17 0.07 0.00 -0.01 0.00 0.00 64.34 59.49 2rpi n VAL 105 Cb 0.51 -2.44 0.05 0.00 -0.91 0.00 0.00 33.84 31.05 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80