#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pi1 s GLU 12 N 0.00 4.35 0.44 0.03 2.12 -1.26 -5.07 118.70 119.31 1pi1 s GLU 12 Ca 0.00 0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 1pi1 s GLU 12 Cb 0.00 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1pi1 s GLU 12 CO 0.00 0.09 0.71 0.00 -0.54 0.00 0.00 175.26 175.52 1pi1 s ALA 13 N 0.81 3.51 0.69 6.30 0.00 -1.26 -4.59 121.76 127.23 1pi1 s ALA 13 Ca 0.29 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1pi1 s ALA 13 Cb -0.16 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1pi1 s ALA 13 CO 0.12 -0.25 1.19 0.95 0.00 0.00 0.00 175.76 177.77 1pi1 s THR 14 N -2.60 2.53 0.32 0.00 -4.23 -1.26 -4.91 115.64 105.49 1pi1 s THR 14 Ca 0.45 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1pi1 s THR 14 Cb -0.10 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.18 1pi1 s THR 14 CO 0.42 -0.13 1.84 -0.07 -0.54 0.00 0.00 174.62 176.13 1pi1 h LEU 15 N -0.04 0.78 -2.23 4.79 3.38 -1.96 -2.74 115.31 117.29 1pi1 h LEU 15 Ca -0.48 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1pi1 h LEU 15 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1pi1 h LEU 15 CO 0.51 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1pi1 n GLY 16 N -1.38 1.82 3.89 0.83 0.00 -1.26 -4.99 105.19 104.10 1pi1 n GLY 16 Ca 0.19 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1pi1 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pi1 s SER 17 N -1.05 6.21 0.00 1.61 1.04 -1.03 -5.10 113.70 115.39 1pi1 s SER 17 Ca 0.41 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1pi1 s SER 17 Cb 0.21 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1pi1 s SER 17 CO 0.28 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1pi1 n GLY 18 N -2.51 5.31 3.59 7.32 0.00 -1.26 -4.98 105.19 112.65 1pi1 n GLY 18 Ca 0.03 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1pi1 n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pi1 s ASN 19 N 0.24 6.36 0.27 1.61 3.84 -1.26 -4.90 114.94 121.10 1pi1 s ASN 19 Ca 0.00 0.47 0.10 0.00 0.21 0.00 0.00 52.86 53.64 1pi1 s ASN 19 Cb 0.00 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.51 1pi1 s ASN 19 CO 0.00 -1.48 1.61 -0.07 -2.79 0.00 0.00 177.10 174.37 1pi1 h LEU 20 N 12.20 0.04 -0.62 3.21 3.38 -1.99 -2.02 115.31 129.51 1pi1 h LEU 20 Ca -0.26 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1pi1 h LEU 20 Cb 1.08 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1pi1 h LEU 20 CO 1.14 0.64 0.29 0.03 0.09 0.00 0.00 178.44 180.62 1pi1 h ARG 21 N 0.03 0.90 -0.10 1.13 2.47 -1.97 -2.70 114.38 114.13 1pi1 h ARG 21 Ca -0.01 -0.14 -0.19 0.00 -1.26 0.00 0.00 59.98 58.39 1pi1 h ARG 21 Cb 1.08 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1pi1 h ARG 21 CO 0.08 0.73 -0.71 1.96 0.56 0.00 0.00 179.97 182.59 1pi1 h GLN 22 N 0.85 0.48 -0.60 0.04 4.20 -1.96 -3.26 115.11 114.86 1pi1 h GLN 22 Ca 0.21 -0.38 0.06 0.00 0.06 0.00 0.00 58.65 58.61 1pi1 h GLN 22 Cb 0.14 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1pi1 h GLN 22 CO -0.02 1.01 0.40 0.00 -0.67 0.00 0.00 178.83 179.54 1pi1 h ALA 23 N 0.89 1.82 0.00 3.87 0.00 -1.05 -2.70 119.26 122.10 1pi1 h ALA 23 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pi1 h ALA 23 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pi1 h ALA 23 CO 0.13 0.08 -0.24 1.33 0.00 0.00 0.00 179.25 180.54 1pi1 n VAL 24 N -4.48 0.17 -2.20 0.00 0.24 -1.09 -4.89 118.33 106.09 1pi1 n VAL 24 Ca 0.08 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 1pi1 n VAL 24 Cb 0.24 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1pi1 n VAL 24 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1pi1 s MET 25 N -3.05 3.82 -0.16 7.34 1.00 -1.02 -4.94 119.30 122.29 1pi1 s MET 25 Ca 0.11 1.88 -0.29 0.00 0.00 0.00 0.00 55.69 57.39 1pi1 s MET 25 Cb 0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 34.83 32.44 1pi1 s MET 25 CO 0.62 -0.53 1.64 -1.17 0.00 0.00 0.00 175.02 175.58 1pi1 s LEU 26 N -2.83 4.05 0.41 -0.03 2.96 -1.26 -4.95 118.68 117.02 1pi1 s LEU 26 Ca 0.61 1.86 -0.25 0.00 -0.22 0.00 0.00 54.13 56.13 1pi1 s LEU 26 Cb -0.31 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 1pi1 s LEU 26 CO 0.39 -1.14 1.18 -2.65 -1.32 0.00 0.00 176.35 172.81 1pi1 n PRO 27 N 7.46 1.72 -1.68 0.98 -0.02 -1.26 -4.84 135.00 137.36 1pi1 n PRO 27 Ca 0.18 0.61 -0.46 0.00 -2.02 0.00 0.00 63.50 61.82 1pi1 n PRO 27 Cb 0.44 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1pi1 n PRO 27 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1pi1 n GLU 28 N 0.12 2.37 -0.05 -0.52 4.07 -1.26 -1.46 120.64 123.91 1pi1 n GLU 28 Ca 0.08 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1pi1 n GLU 28 Cb 0.39 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 1pi1 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pi1 n GLY 29 N 4.23 1.05 3.87 8.31 0.00 -1.26 -5.06 105.19 116.33 1pi1 n GLY 29 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1pi1 n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pi1 s GLU 30 N -0.63 3.78 0.08 1.61 2.12 -0.54 -5.06 118.70 120.06 1pi1 s GLU 30 Ca 0.00 0.47 -0.24 0.00 0.36 0.00 0.00 54.97 55.56 1pi1 s GLU 30 Cb 0.00 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.93 1pi1 s GLU 30 CO 0.00 -0.03 0.74 0.34 -0.54 0.00 0.00 175.26 175.77 1pi1 s ASP 31 N -3.13 7.24 0.12 -1.70 -1.08 -1.26 -4.89 116.67 111.97 1pi1 s ASP 31 Ca 0.51 1.47 -0.20 0.00 -0.52 0.00 0.00 52.55 53.81 1pi1 s ASP 31 Cb -0.10 -2.46 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1pi1 s ASP 31 CO 0.31 0.10 1.74 0.25 0.52 0.00 0.00 175.17 178.09 1pi1 h LEU 32 N 5.19 0.04 -0.44 -1.34 5.85 -1.97 -1.10 115.31 121.54 1pi1 h LEU 32 Ca -0.45 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1pi1 h LEU 32 Cb 1.21 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1pi1 h LEU 32 CO 0.69 0.05 0.23 0.78 -0.34 0.00 0.00 178.44 179.85 1pi1 h ASN 33 N 0.13 0.35 -0.86 1.25 2.35 -2.00 -1.11 115.58 115.69 1pi1 h ASN 33 Ca 0.08 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1pi1 h ASN 33 Cb 0.06 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1pi1 h ASN 33 CO -0.10 0.25 0.46 -0.08 -1.65 0.00 0.00 177.43 176.31 1pi1 h GLU 34 N 0.46 1.21 -0.45 0.81 4.22 -1.92 -0.62 114.58 118.29 1pi1 h GLU 34 Ca 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1pi1 h GLU 34 Cb 0.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1pi1 h GLU 34 CO -0.12 0.89 0.17 2.35 -2.18 0.00 0.00 179.01 180.13 1pi1 h TRP 35 N 1.21 0.70 -0.62 0.92 -0.00 -0.70 0.85 115.95 118.31 1pi1 h TRP 35 Ca 0.30 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.89 59.06 1pi1 h TRP 35 Cb 0.05 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 1pi1 h TRP 35 CO 0.01 0.61 0.11 0.82 -0.00 0.00 0.00 178.44 179.99 1pi1 h ILE 36 N 0.59 1.25 0.06 2.65 2.04 -0.89 -1.20 117.51 122.02 1pi1 h ILE 36 Ca 0.15 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1pi1 h ILE 36 Cb 0.22 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1pi1 h ILE 36 CO -0.01 0.36 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 1pi1 h ALA 37 N 1.18 -0.09 -0.67 1.87 0.00 -0.63 0.18 119.26 121.11 1pi1 h ALA 37 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pi1 h ALA 37 Cb 0.39 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1pi1 h ALA 37 CO 0.01 -0.50 0.43 0.28 0.00 0.00 0.00 179.25 179.47 1pi1 h VAL 38 N -0.18 1.18 -0.37 0.00 2.07 -0.70 -1.45 116.25 116.81 1pi1 h VAL 38 Ca -0.01 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1pi1 h VAL 38 Cb 0.15 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1pi1 h VAL 38 CO 0.01 0.17 -0.33 0.78 0.02 0.00 0.00 177.57 178.23 1pi1 h ASN 39 N 0.90 0.86 -0.60 0.57 4.21 -1.09 -2.12 115.58 118.32 1pi1 h ASN 39 Ca 0.24 -0.36 -0.05 0.00 1.21 0.00 0.00 56.30 57.34 1pi1 h ASN 39 Cb -0.09 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.85 1pi1 h ASN 39 CO -0.05 1.11 0.17 0.74 -1.29 0.00 0.00 177.43 178.11 1pi1 h THR 40 N 0.69 1.25 -0.80 2.81 2.02 -0.34 -0.67 112.91 117.87 1pi1 h THR 40 Ca 0.07 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1pi1 h THR 40 Cb 0.88 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1pi1 h THR 40 CO 0.08 0.33 0.46 0.58 0.37 0.00 0.00 175.52 177.34 1pi1 h VAL 41 N 0.86 1.23 -0.64 3.16 2.07 -1.21 -1.96 116.25 119.75 1pi1 h VAL 41 Ca 0.19 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1pi1 h VAL 41 Cb 0.32 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1pi1 h VAL 41 CO -0.00 0.25 0.23 -0.78 0.02 0.00 0.00 177.57 177.28 1pi1 h ASP 42 N 1.10 0.92 0.34 0.57 3.58 -0.67 -1.82 116.42 120.44 1pi1 h ASP 42 Ca 0.28 -0.19 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 1pi1 h ASP 42 Cb -0.01 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1pi1 h ASP 42 CO -0.05 0.86 -0.46 -0.26 -2.88 0.00 0.00 179.24 176.45 1pi1 h PHE 43 N 0.92 0.18 -0.55 0.28 0.04 -0.93 0.37 116.94 117.25 1pi1 h PHE 43 Ca 0.21 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1pi1 h PHE 43 Cb 0.26 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1pi1 h PHE 43 CO 0.02 0.59 0.26 0.35 -0.60 0.00 0.00 178.31 178.93 1pi1 h PHE 44 N 0.12 0.79 -0.47 -0.55 3.57 -1.03 -0.13 116.94 119.25 1pi1 h PHE 44 Ca 0.01 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1pi1 h PHE 44 Cb 0.87 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1pi1 h PHE 44 CO 0.01 0.62 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.75 1pi1 h ASN 45 N 0.73 0.85 -0.62 0.41 2.35 -0.83 0.19 115.58 118.66 1pi1 h ASN 45 Ca 0.19 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1pi1 h ASN 45 Cb 0.13 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1pi1 h ASN 45 CO -0.02 0.98 0.36 1.56 -1.65 0.00 0.00 177.43 178.66 1pi1 h GLN 46 N 0.70 0.85 -0.23 0.81 4.20 -0.67 -0.11 115.11 120.66 1pi1 h GLN 46 Ca 0.13 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 1pi1 h GLN 46 Cb 0.57 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1pi1 h GLN 46 CO 0.03 0.63 -0.52 0.82 -0.67 0.00 0.00 178.83 179.11 1pi1 h ILE 47 N 0.85 1.31 -0.75 2.54 2.04 -0.88 -1.09 117.51 121.52 1pi1 h ILE 47 Ca 0.22 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1pi1 h ILE 47 Cb 0.00 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1pi1 h ILE 47 CO -0.04 0.55 0.40 -1.13 0.00 0.00 0.00 178.15 177.93 1pi1 h ASN 48 N 0.51 0.96 0.00 1.72 -1.24 -0.67 0.83 115.58 117.68 1pi1 h ASN 48 Ca 0.02 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 1pi1 h ASN 48 Cb 1.08 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1pi1 h ASN 48 CO 0.10 0.79 -0.00 0.24 -1.29 0.00 0.00 177.43 177.28 1pi1 h MET 49 N 1.05 -0.00 -0.03 6.67 2.86 -0.78 -1.78 114.93 122.93 1pi1 h MET 49 Ca 0.26 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1pi1 h MET 49 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1pi1 h MET 49 CO -0.04 0.15 0.00 -0.07 1.06 0.00 0.00 176.91 178.01 1pi1 h LEU 50 N -0.15 0.04 -1.15 1.22 3.38 -0.99 -3.00 115.31 114.66 1pi1 h LEU 50 Ca -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1pi1 h LEU 50 Cb 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1pi1 h LEU 50 CO 0.00 0.29 0.41 0.22 0.09 0.00 0.00 178.44 179.44 1pi1 h TYR 51 N -0.20 0.97 -0.79 1.13 3.20 -0.88 -1.95 116.97 118.45 1pi1 h TYR 51 Ca 0.01 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1pi1 h TYR 51 Cb 0.26 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 1pi1 h TYR 51 CO 0.01 0.67 0.52 0.78 -1.64 0.00 0.00 178.16 178.50 1pi1 h GLY 52 N 1.05 0.95 2.00 1.82 0.00 -1.19 -0.87 103.07 106.83 1pi1 h GLY 52 Ca 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pi1 h GLY 52 CO -0.04 0.12 -0.02 -0.91 0.00 0.00 0.00 176.54 175.68 1pi1 h THR 53 N 0.61 0.09 0.00 4.70 1.35 -1.23 -3.17 112.91 115.26 1pi1 h THR 53 Ca 0.38 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1pi1 h THR 53 Cb 0.62 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1pi1 h THR 53 CO -0.14 0.02 -0.00 2.30 -0.25 0.00 0.00 175.52 177.44 1pi1 n ILE 54 N -3.16 1.54 0.18 6.82 -5.35 -0.36 -4.77 119.36 114.27 1pi1 n ILE 54 Ca -0.01 -1.78 0.14 0.00 -0.27 0.00 0.00 62.75 60.83 1pi1 n ILE 54 Cb 0.22 0.04 0.72 0.00 -1.74 0.00 0.00 39.64 38.89 1pi1 n ILE 54 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1pi1 h THR 55 N 0.08 0.77 0.00 7.28 1.35 -1.46 -0.54 112.91 120.39 1pi1 h THR 55 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1pi1 h THR 55 Cb 0.82 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1pi1 h THR 55 CO 0.00 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.43 1pi1 n GLU 56 N -4.28 0.16 0.00 4.72 0.28 -1.26 -2.78 120.64 117.49 1pi1 n GLU 56 Ca 0.01 0.26 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 1pi1 n GLU 56 Cb 0.28 -1.74 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 1pi1 n GLU 56 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1pi1 n PHE 57 N -2.03 0.00 -3.74 -1.84 3.72 -0.24 -4.73 117.46 108.60 1pi1 n PHE 57 Ca 0.04 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.07 1pi1 n PHE 57 Cb 0.31 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 1pi1 n PHE 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pi1 s THR 59 N 1.19 0.87 0.26 0.00 -4.23 -1.26 -4.70 115.64 107.76 1pi1 s THR 59 Ca 0.07 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1pi1 s THR 59 Cb -0.23 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.61 1pi1 s THR 59 CO -0.03 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.57 1pi1 h GLU 60 N 1.51 1.09 0.06 3.99 4.39 -1.98 -0.16 114.58 123.47 1pi1 h GLU 60 Ca -0.40 -0.15 -0.27 0.00 0.34 0.00 0.00 59.36 58.87 1pi1 h GLU 60 Cb 1.30 -0.20 0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1pi1 h GLU 60 CO 0.66 0.84 -1.12 0.00 -1.16 0.00 0.00 179.01 178.22 1pi1 h ALA 61 N 1.32 0.11 0.02 3.43 0.00 -1.98 -2.94 119.26 119.22 1pi1 h ALA 61 Ca 0.26 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1pi1 h ALA 61 Cb 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pi1 h ALA 61 CO -0.03 0.73 -0.95 0.66 0.00 0.00 0.00 179.25 179.65 1pi1 h SER 62 N 0.30 0.25 -2.26 0.00 4.64 -1.87 -3.39 113.55 111.23 1pi1 h SER 62 Ca -0.15 -0.22 -0.58 0.00 -0.47 0.00 0.00 61.79 60.37 1pi1 h SER 62 Cb 1.78 -0.08 -0.40 0.00 -0.31 0.00 0.00 62.40 63.40 1pi1 h SER 62 CO 0.21 1.06 -0.89 0.00 -0.87 0.00 0.00 176.83 176.35 1pi1 h PRO 64 N 4.56 0.00 -4.47 0.00 0.13 -1.72 -2.06 132.00 128.44 1pi1 h PRO 64 Ca 0.15 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1pi1 h PRO 64 Cb 0.82 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.79 1pi1 h PRO 64 CO 0.56 0.00 -0.70 0.14 -0.23 0.00 0.00 178.00 177.78 1pi1 s VAL 65 N -4.46 0.49 -0.21 1.56 -7.23 -1.26 -3.15 120.40 106.15 1pi1 s VAL 65 Ca -0.05 -1.74 -0.27 0.00 -1.81 0.00 0.00 61.98 58.12 1pi1 s VAL 65 Cb 0.14 -1.43 -0.00 0.00 0.56 0.00 0.00 36.38 35.65 1pi1 s VAL 65 CO 0.48 -0.84 0.92 -0.32 -0.31 0.00 0.00 175.10 175.03 1pi1 s MET 66 N -3.47 4.26 0.21 4.82 1.75 -1.10 -3.83 119.30 121.96 1pi1 s MET 66 Ca 0.06 1.14 -0.12 0.00 -1.25 0.00 0.00 55.69 55.53 1pi1 s MET 66 Cb 0.04 -3.61 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 1pi1 s MET 66 CO -0.06 -0.49 0.41 -1.54 -0.65 0.00 0.00 175.02 172.70 1pi1 s SER 67 N 1.22 -0.06 -0.40 1.11 1.04 -1.26 -0.42 113.70 114.93 1pi1 s SER 67 Ca 0.40 -0.88 0.11 0.00 0.48 0.00 0.00 55.95 56.06 1pi1 s SER 67 Cb -0.16 0.53 0.33 0.00 0.10 0.00 0.00 66.02 66.82 1pi1 s SER 67 CO 0.09 -1.04 0.72 0.00 0.98 0.00 0.00 173.24 173.99 1pi1 n ALA 68 N -0.32 2.36 0.00 5.32 0.00 -0.26 -4.29 120.51 123.32 1pi1 n ALA 68 Ca -0.04 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.85 1pi1 n ALA 68 Cb 0.62 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1pi1 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pi1 n GLY 69 N 0.43 2.34 0.32 0.00 0.00 -1.26 -4.49 105.19 102.54 1pi1 n GLY 69 Ca 0.25 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.58 1pi1 n GLY 69 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pi1 h PRO 70 N 0.00 0.58 -0.00 1.61 0.11 -2.00 -2.57 132.00 129.73 1pi1 h PRO 70 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pi1 h PRO 70 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1pi1 h PRO 70 CO 0.00 0.39 -0.01 0.54 -0.21 0.00 0.00 178.00 178.71 1pi1 n ARG 71 N -4.89 0.53 -3.90 1.05 1.74 -1.26 -4.42 116.66 105.51 1pi1 n ARG 71 Ca 0.20 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.97 1pi1 n ARG 71 Cb 0.54 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 1pi1 n ARG 71 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1pi1 s TYR 72 N -2.48 2.96 -0.00 -1.55 2.02 -0.97 -5.07 117.35 112.25 1pi1 s TYR 72 Ca 0.31 -2.97 0.01 0.00 -0.37 0.00 0.00 57.07 54.05 1pi1 s TYR 72 Cb 0.21 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1pi1 s TYR 72 CO 0.45 -0.77 0.01 -2.00 -1.57 0.00 0.00 175.55 171.66 1pi1 s GLU 73 N -0.00 2.80 -0.05 -0.62 2.12 -1.26 -1.11 118.70 120.57 1pi1 s GLU 73 Ca 0.16 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.93 1pi1 s GLU 73 Cb -0.25 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.46 1pi1 s GLU 73 CO -0.01 0.62 -0.17 0.71 -0.54 0.00 0.00 175.26 175.87 1pi1 s TYR 74 N -1.09 1.78 -0.10 5.30 2.02 0.44 -4.98 117.35 120.72 1pi1 s TYR 74 Ca 0.20 -0.56 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1pi1 s TYR 74 Cb -0.12 -1.21 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1pi1 s TYR 74 CO 0.11 -0.21 -0.22 -1.01 -1.57 0.00 0.00 175.55 172.65 1pi1 s HIS 75 N 0.16 2.59 0.15 2.71 3.76 -1.26 -4.19 115.29 119.20 1pi1 s HIS 75 Ca -0.07 -0.91 -0.30 0.00 -0.15 0.00 0.00 55.06 53.63 1pi1 s HIS 75 Cb -0.13 -1.72 -0.07 0.00 1.11 0.00 0.00 32.58 31.78 1pi1 s HIS 75 CO 0.03 -0.34 1.02 -0.46 -0.85 0.00 0.00 174.74 174.14 1pi1 s TRP 76 N 0.24 3.74 -0.21 1.40 -0.11 -0.15 -4.56 118.94 119.29 1pi1 s TRP 76 Ca -0.15 1.72 -0.27 0.00 1.22 0.00 0.00 56.10 58.63 1pi1 s TRP 76 Cb -0.17 -3.14 0.08 0.00 -1.50 0.00 0.00 33.47 28.75 1pi1 s TRP 76 CO 0.07 -0.11 0.79 0.00 -4.62 0.00 0.00 176.95 173.08 1pi1 s ALA 77 N -0.16 -1.83 0.00 5.86 0.00 -1.26 0.48 121.76 124.85 1pi1 s ALA 77 Ca 0.48 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1pi1 s ALA 77 Cb -0.26 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1pi1 s ALA 77 CO 0.32 -0.33 0.76 -0.40 0.00 0.00 0.00 175.76 176.12 1pi1 n ASP 78 N 1.99 1.44 0.00 0.00 5.68 -0.04 -5.00 116.55 120.62 1pi1 n ASP 78 Ca -0.15 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 1pi1 n ASP 78 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1pi1 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pi1 n GLY 79 N -0.29 0.21 0.66 6.12 0.00 -0.79 -4.73 105.19 106.37 1pi1 n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pi1 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pi1 n THR 80 N -2.30 0.00 -0.01 2.61 -2.24 -1.26 -4.89 114.28 106.19 1pi1 n THR 80 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1pi1 n THR 80 Cb 0.27 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 1pi1 n THR 80 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1pi1 h ASN 81 N 0.00 0.94 -3.66 3.42 2.35 -2.01 -3.42 115.58 113.21 1pi1 h ASN 81 Ca 0.00 -0.64 -0.63 0.00 -0.55 0.00 0.00 56.30 54.48 1pi1 h ASN 81 Cb 0.00 -0.28 -0.38 0.00 0.05 0.00 0.00 38.32 37.71 1pi1 h ASN 81 CO 0.00 1.44 -0.79 -0.63 -1.65 0.00 0.00 177.43 175.80 1pi1 s ILE 82 N -3.69 1.71 -0.25 2.81 1.01 -1.26 -4.99 121.20 116.54 1pi1 s ILE 82 Ca -0.10 -1.29 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 1pi1 s ILE 82 Cb 0.08 -1.90 -0.15 0.00 0.01 0.00 0.00 42.46 40.50 1pi1 s ILE 82 CO 0.91 -0.03 -0.18 0.29 0.00 0.00 0.00 174.94 175.93 1pi1 n LYS 83 N 4.61 0.59 -2.28 2.79 5.02 -1.26 -0.86 118.16 126.78 1pi1 n LYS 83 Ca -0.13 0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 56.06 1pi1 n LYS 83 Cb 0.44 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1pi1 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pi1 s LYS 84 N -2.48 3.64 0.10 1.97 1.02 -1.26 -4.79 119.74 117.94 1pi1 s LYS 84 Ca -0.36 1.17 -0.36 0.00 0.02 0.00 0.00 55.97 56.44 1pi1 s LYS 84 Cb 0.12 -4.02 -0.17 0.00 -0.52 0.00 0.00 37.83 33.24 1pi1 s LYS 84 CO 0.53 -1.48 1.30 -2.30 -0.92 0.00 0.00 175.35 172.49 1pi1 n PRO 85 N 7.92 1.11 -3.62 -1.68 -0.02 -1.26 -4.85 135.00 132.60 1pi1 n PRO 85 Ca 0.17 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 1pi1 n PRO 85 Cb 0.47 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1pi1 n PRO 85 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pi1 s ILE 86 N 0.35 5.33 -0.95 4.25 1.01 0.18 -4.83 121.20 126.55 1pi1 s ILE 86 Ca 0.83 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.55 1pi1 s ILE 86 Cb -0.95 -3.53 0.15 0.00 0.01 0.00 0.00 42.46 38.14 1pi1 s ILE 86 CO 0.48 0.32 1.11 -0.75 0.00 0.00 0.00 174.94 176.10 1pi1 s LYS 87 N 1.15 3.66 0.49 2.79 2.20 -1.26 -0.98 119.74 127.79 1pi1 s LYS 87 Ca 0.09 -1.97 0.04 0.00 -0.36 0.00 0.00 55.97 53.77 1pi1 s LYS 87 Cb -0.14 -4.86 -0.02 0.00 -1.51 0.00 0.00 37.83 31.31 1pi1 s LYS 87 CO 0.05 -1.70 0.14 0.00 -0.36 0.00 0.00 175.35 173.49 1pi1 s SER 89 N -3.97 3.94 0.14 0.00 1.04 -1.19 -2.69 113.70 110.97 1pi1 s SER 89 Ca 0.23 1.92 -0.19 0.00 0.48 0.00 0.00 55.95 58.39 1pi1 s SER 89 Cb 0.02 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.62 1pi1 s SER 89 CO 0.13 -2.41 1.72 0.00 0.98 0.00 0.00 173.24 173.66 1pi1 h ALA 90 N -1.39 0.23 -0.93 5.32 0.00 -1.47 0.11 119.26 121.13 1pi1 h ALA 90 Ca -0.44 0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.65 1pi1 h ALA 90 Cb 1.25 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1pi1 h ALA 90 CO 0.48 -0.40 0.56 -1.00 0.00 0.00 0.00 179.25 178.89 1pi1 h PRO 91 N 0.10 0.86 -0.08 0.00 0.13 -1.84 0.37 132.00 131.54 1pi1 h PRO 91 Ca 0.11 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 1pi1 h PRO 91 Cb 0.13 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1pi1 h PRO 91 CO -0.17 0.57 -0.81 0.87 -0.23 0.00 0.00 178.00 178.22 1pi1 h LYS 92 N 0.88 0.56 0.05 0.86 1.57 -1.78 -1.63 116.57 117.07 1pi1 h LYS 92 Ca 0.47 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pi1 h LYS 92 Cb 0.48 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1pi1 h LYS 92 CO -0.28 1.12 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.78 1pi1 h TYR 93 N 0.36 -0.06 -0.15 -1.35 5.03 0.22 -0.59 116.97 120.42 1pi1 h TYR 93 Ca -0.06 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.22 1pi1 h TYR 93 Cb 1.42 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 1pi1 h TYR 93 CO 0.07 0.07 -0.04 0.82 -1.32 0.00 0.00 178.16 177.75 1pi1 h ILE 94 N -0.18 1.13 -0.14 1.81 2.04 -0.31 0.52 117.51 122.37 1pi1 h ILE 94 Ca -0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1pi1 h ILE 94 Cb 0.16 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1pi1 h ILE 94 CO 0.01 0.17 -0.05 -0.78 0.00 0.00 0.00 178.15 177.50 1pi1 h ASP 95 N 0.22 0.29 -0.23 1.72 3.58 -0.95 0.10 116.42 121.15 1pi1 h ASP 95 Ca 0.05 -0.39 0.05 0.00 0.42 0.00 0.00 57.03 57.16 1pi1 h ASP 95 Cb 0.22 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 1pi1 h ASP 95 CO 0.01 0.61 -0.09 1.88 -2.88 0.00 0.00 179.24 178.77 1pi1 h TYR 96 N -0.04 -0.21 0.48 0.28 0.05 -0.50 -0.31 116.97 116.71 1pi1 h TYR 96 Ca 0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1pi1 h TYR 96 Cb 0.49 0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1pi1 h TYR 96 CO 0.06 -0.15 -0.24 1.25 -1.05 0.00 0.00 178.16 178.03 1pi1 h LEU 97 N -0.05 -0.58 -1.25 3.88 6.46 -0.69 -0.27 115.31 122.80 1pi1 h LEU 97 Ca 0.12 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1pi1 h LEU 97 Cb 0.24 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1pi1 h LEU 97 CO -0.27 -0.40 -0.15 0.24 -0.62 0.00 0.00 178.44 177.23 1pi1 h MET 98 N -0.66 0.32 -0.48 1.25 2.86 -0.73 0.06 114.93 117.54 1pi1 h MET 98 Ca -0.06 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 1pi1 h MET 98 Cb 0.51 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1pi1 h MET 98 CO 0.10 0.48 -0.21 1.15 1.06 0.00 0.00 176.91 179.48 1pi1 h THR 99 N 0.30 1.27 -0.26 2.22 2.02 -0.88 -1.16 112.91 116.42 1pi1 h THR 99 Ca 0.06 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1pi1 h THR 99 Cb 0.46 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1pi1 h THR 99 CO 0.03 0.47 0.04 -0.25 0.37 0.00 0.00 175.52 176.18 1pi1 h TRP 100 N 0.85 0.46 -0.30 3.16 7.01 -0.41 -1.26 115.95 125.46 1pi1 h TRP 100 Ca 0.11 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.05 1pi1 h TRP 100 Cb 0.79 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 1pi1 h TRP 100 CO 0.05 0.54 0.19 0.28 -2.79 0.00 0.00 178.44 176.72 1pi1 h VAL 101 N 0.24 1.06 -0.93 2.65 2.07 -0.90 -2.26 116.25 118.19 1pi1 h VAL 101 Ca 0.08 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1pi1 h VAL 101 Cb 0.33 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1pi1 h VAL 101 CO 0.01 0.07 0.61 -0.61 0.02 0.00 0.00 177.57 177.67 1pi1 h GLN 102 N 0.39 1.11 -0.72 1.57 4.15 -1.09 -1.03 115.11 119.50 1pi1 h GLN 102 Ca 0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1pi1 h GLN 102 Cb -0.03 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.37 1pi1 h GLN 102 CO -0.03 0.74 0.39 -0.44 -1.93 0.00 0.00 178.83 177.56 1pi1 h ASP 103 N 1.15 0.88 -0.20 -0.69 3.32 -0.75 -0.65 116.42 119.48 1pi1 h ASP 103 Ca 0.37 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1pi1 h ASP 103 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1pi1 h ASP 103 CO -0.12 0.71 -0.06 1.56 -1.72 0.00 0.00 179.24 179.60 1pi1 h GLN 104 N 1.00 0.40 -0.45 3.56 1.08 -0.67 -2.57 115.11 117.45 1pi1 h GLN 104 Ca 0.25 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1pi1 h GLN 104 Cb 0.02 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1pi1 h GLN 104 CO -0.04 0.66 0.30 -0.07 -0.95 0.00 0.00 178.83 178.73 1pi1 h LEU 105 N 0.11 0.46 -0.86 1.46 3.38 -0.83 0.17 115.31 119.20 1pi1 h LEU 105 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pi1 h LEU 105 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1pi1 h LEU 105 CO 0.02 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.35 1pi1 n ASP 106 N -4.47 1.30 -4.54 -0.43 8.00 -0.29 -4.70 116.55 111.42 1pi1 n ASP 106 Ca 0.04 -1.62 -0.43 0.00 0.71 0.00 0.00 54.79 53.50 1pi1 n ASP 106 Cb 0.12 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1pi1 n ASP 106 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pi1 s ASP 107 N -1.61 6.37 0.56 -2.24 -1.08 0.05 -4.90 116.67 113.81 1pi1 s ASP 107 Ca 0.32 -0.22 0.28 0.00 -0.52 0.00 0.00 52.55 52.40 1pi1 s ASP 107 Cb 0.17 -2.47 1.47 0.00 -1.46 0.00 0.00 42.92 40.63 1pi1 s ASP 107 CO 0.26 -1.29 1.97 -0.33 0.52 0.00 0.00 175.17 176.30 1pi1 h GLU 108 N 9.37 0.00 0.00 4.34 4.39 -1.86 0.46 114.58 131.28 1pi1 h GLU 108 Ca -0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1pi1 h GLU 108 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1pi1 h GLU 108 CO 1.11 0.00 -0.07 1.79 -1.16 0.00 0.00 179.01 180.68 1pi1 h THR 109 N 0.00 0.01 0.00 1.13 1.35 -1.94 -3.10 112.91 110.37 1pi1 h THR 109 Ca 0.24 -1.02 -0.42 0.00 -0.55 0.00 0.00 66.41 64.66 1pi1 h THR 109 Cb 1.08 1.98 -0.06 0.00 -1.73 0.00 0.00 68.15 69.41 1pi1 h THR 109 CO -0.00 0.01 -2.36 0.18 -0.25 0.00 0.00 175.52 173.10 1pi1 n LEU 110 N -3.08 2.12 -3.96 3.87 4.77 -0.02 -4.19 117.00 116.51 1pi1 n LEU 110 Ca 0.04 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1pi1 n LEU 110 Cb 0.53 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1pi1 n LEU 110 CO 0.34 0.60 0.13 0.49 -1.33 0.00 0.00 177.39 177.63 1pi1 n PHE 111 N -4.10 3.65 -1.61 -1.77 3.01 -0.19 -4.51 117.46 111.93 1pi1 n PHE 111 Ca -0.50 -4.22 -0.55 0.00 1.01 0.00 0.00 57.45 53.18 1pi1 n PHE 111 Cb 0.88 -0.83 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 1pi1 n PHE 111 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1pi1 n PRO 112 N 2.02 0.89 0.00 -1.08 -0.02 -1.17 -4.48 135.00 131.16 1pi1 n PRO 112 Ca 0.21 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1pi1 n PRO 112 Cb 0.36 -1.94 0.27 0.00 -0.02 0.00 0.00 33.50 32.17 1pi1 n PRO 112 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pi1 n SER 113 N 3.00 1.26 -4.31 2.55 3.41 -1.26 -4.86 113.62 113.41 1pi1 n SER 113 Ca 0.21 -1.03 -0.32 0.00 -0.26 0.00 0.00 58.87 57.47 1pi1 n SER 113 Cb 0.15 0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 64.18 1pi1 n SER 113 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pi1 s LYS 114 N -2.52 2.60 0.59 4.33 1.02 -1.26 -5.03 119.74 119.48 1pi1 s LYS 114 Ca 0.22 -0.86 0.36 0.00 0.02 0.00 0.00 55.97 55.72 1pi1 s LYS 114 Cb 0.19 -2.23 1.77 0.00 -0.52 0.00 0.00 37.83 37.04 1pi1 s LYS 114 CO 0.54 0.41 2.14 -0.84 -0.92 0.00 0.00 175.35 176.68 1pi1 h ILE 115 N 4.97 0.14 -0.03 2.17 3.07 -2.03 -2.32 117.51 123.47 1pi1 h ILE 115 Ca -0.34 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1pi1 h ILE 115 Cb 1.17 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 1pi1 h ILE 115 CO 0.48 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 1pi1 n GLY 116 N -0.53 -0.66 3.25 0.16 0.00 -1.26 -4.74 105.19 101.41 1pi1 n GLY 116 Ca -0.01 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1pi1 n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pi1 s VAL 117 N -1.96 2.84 0.75 1.61 1.01 -0.88 -5.12 120.40 118.66 1pi1 s VAL 117 Ca 0.33 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1pi1 s VAL 117 Cb 0.16 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1pi1 s VAL 117 CO 0.26 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 174.77 1pi1 s PRO 118 N 1.28 2.53 0.34 2.72 0.04 -1.26 -4.84 135.00 135.81 1pi1 s PRO 118 Ca 0.03 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 1pi1 s PRO 118 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1pi1 s PRO 118 CO -0.06 -1.30 1.18 -0.06 0.04 0.00 0.00 177.00 176.81 1pi1 s PHE 119 N -3.23 3.22 1.02 0.56 0.40 -1.26 -4.85 117.98 113.84 1pi1 s PHE 119 Ca 0.59 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 58.37 1pi1 s PHE 119 Cb -0.13 -3.43 0.20 0.00 0.51 0.00 0.00 43.02 40.17 1pi1 s PHE 119 CO 0.53 -1.22 1.08 -1.25 0.70 0.00 0.00 175.22 175.07 1pi1 s PRO 120 N -1.90 0.23 0.35 0.24 0.04 -1.26 -4.91 135.00 127.79 1pi1 s PRO 120 Ca 0.51 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.65 1pi1 s PRO 120 Cb -0.33 -1.67 0.65 0.00 0.04 0.00 0.00 34.50 33.19 1pi1 s PRO 120 CO 0.43 -3.01 1.90 0.87 0.04 0.00 0.00 177.00 177.23 1pi1 h LYS 121 N -2.12 0.50 -0.55 4.56 6.56 -1.95 -2.42 116.57 121.15 1pi1 h LYS 121 Ca -0.53 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 1pi1 h LYS 121 Cb 1.30 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1pi1 h LYS 121 CO 0.49 0.51 0.00 0.27 -2.06 0.00 0.00 179.45 178.66 1pi1 n ASN 122 N -4.31 2.57 0.16 0.86 6.94 -1.26 -4.55 115.26 115.67 1pi1 n ASN 122 Ca 0.01 -2.20 -0.15 0.00 -0.02 0.00 0.00 54.58 52.23 1pi1 n ASN 122 Cb 0.22 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 37.17 1pi1 n ASN 122 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1pi1 h PHE 123 N 2.11 -1.18 -0.69 -2.53 3.57 -1.78 -1.15 116.94 115.28 1pi1 h PHE 123 Ca 0.00 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1pi1 h PHE 123 Cb 0.81 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.96 1pi1 h PHE 123 CO 0.38 -0.54 0.27 1.98 -2.23 0.00 0.00 178.31 178.16 1pi1 h MET 124 N -0.72 0.42 -0.53 1.11 4.05 -1.84 0.29 114.93 117.72 1pi1 h MET 124 Ca 0.00 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1pi1 h MET 124 Cb 0.71 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 1pi1 h MET 124 CO -0.19 0.28 0.31 1.03 0.23 0.00 0.00 176.91 178.56 1pi1 h SER 125 N 0.43 0.49 -0.47 1.39 0.87 -1.80 0.19 113.55 114.65 1pi1 h SER 125 Ca 0.36 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 1pi1 h SER 125 Cb 0.50 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1pi1 h SER 125 CO -0.36 0.34 0.06 0.58 -0.53 0.00 0.00 176.83 176.92 1pi1 h VAL 126 N 0.61 1.25 -0.26 2.23 2.07 0.16 -1.38 116.25 120.93 1pi1 h VAL 126 Ca 0.22 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1pi1 h VAL 126 Cb 0.04 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1pi1 h VAL 126 CO -0.11 0.33 0.16 0.00 0.02 0.00 0.00 177.57 177.97 1pi1 h ALA 127 N 0.95 0.32 -0.88 1.67 0.00 0.03 -0.84 119.26 120.51 1pi1 h ALA 127 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pi1 h ALA 127 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pi1 h ALA 127 CO 0.01 -0.23 0.57 0.87 0.00 0.00 0.00 179.25 180.48 1pi1 h LYS 128 N 0.32 1.17 -0.52 0.00 1.57 -0.51 -0.28 116.57 118.32 1pi1 h LYS 128 Ca 0.10 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1pi1 h LYS 128 Cb -0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1pi1 h LYS 128 CO -0.04 0.79 0.08 1.15 -0.57 0.00 0.00 179.45 180.85 1pi1 h THR 129 N 1.20 1.25 -0.16 -0.16 2.02 -0.75 -0.88 112.91 115.44 1pi1 h THR 129 Ca 0.32 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1pi1 h THR 129 Cb -0.12 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1pi1 h THR 129 CO -0.07 0.34 0.09 0.40 0.37 0.00 0.00 175.52 176.66 1pi1 h ILE 130 N 0.75 1.08 -0.64 3.11 2.04 -0.61 -2.47 117.51 120.76 1pi1 h ILE 130 Ca 0.16 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1pi1 h ILE 130 Cb 0.41 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1pi1 h ILE 130 CO 0.01 0.07 0.26 -0.07 0.00 0.00 0.00 178.15 178.42 1pi1 h LEU 131 N 0.18 0.88 -1.19 1.44 3.38 -0.86 0.04 115.31 119.19 1pi1 h LEU 131 Ca 0.06 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1pi1 h LEU 131 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pi1 h LEU 131 CO -0.01 0.81 -0.08 0.07 0.09 0.00 0.00 178.44 179.33 1pi1 h LYS 132 N 0.90 0.47 -0.16 1.13 2.10 -1.07 -1.90 116.57 118.03 1pi1 h LYS 132 Ca 0.21 -0.12 -0.19 0.00 -2.00 0.00 0.00 60.65 58.55 1pi1 h LYS 132 Cb 0.21 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1pi1 h LYS 132 CO -0.02 0.56 -0.66 0.00 -2.00 0.00 0.00 179.45 177.33 1pi1 h ARG 133 N 0.44 0.73 -0.78 0.07 3.08 -0.96 -3.14 114.38 113.82 1pi1 h ARG 133 Ca 0.09 -0.57 0.03 0.00 0.07 0.00 0.00 59.98 59.60 1pi1 h ARG 133 Cb 0.41 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1pi1 h ARG 133 CO 0.02 1.18 0.51 -0.07 -1.07 0.00 0.00 179.97 180.55 1pi1 h LEU 134 N 0.43 0.84 -1.47 3.04 3.38 -0.73 -1.38 115.31 119.43 1pi1 h LEU 134 Ca -0.04 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.08 1pi1 h LEU 134 Cb 1.29 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1pi1 h LEU 134 CO 0.14 0.59 0.55 0.15 0.09 0.00 0.00 178.44 179.96 1pi1 h PHE 135 N 0.98 0.60 0.00 1.13 3.57 -1.30 -1.10 116.94 120.83 1pi1 h PHE 135 Ca 0.30 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1pi1 h PHE 135 Cb -0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1pi1 h PHE 135 CO -0.00 0.20 -0.16 0.00 -2.23 0.00 0.00 178.31 176.13 1pi1 h ARG 136 N 0.49 0.00 -0.23 1.11 3.08 -1.29 -1.37 114.38 116.17 1pi1 h ARG 136 Ca 0.42 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.33 1pi1 h ARG 136 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1pi1 h ARG 136 CO -0.16 0.16 -0.42 0.28 -1.07 0.00 0.00 179.97 178.76 1pi1 h VAL 137 N 0.00 1.31 -0.39 2.04 2.07 -1.28 -0.82 116.25 119.18 1pi1 h VAL 137 Ca -0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1pi1 h VAL 137 Cb 0.33 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1pi1 h VAL 137 CO 0.02 0.51 0.26 1.88 0.02 0.00 0.00 177.57 180.26 1pi1 h TYR 138 N 0.41 0.49 -0.70 1.57 0.05 -1.41 -0.91 116.97 116.47 1pi1 h TYR 138 Ca 0.01 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1pi1 h TYR 138 Cb 1.01 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 1pi1 h TYR 138 CO 0.08 0.30 0.45 0.00 -1.05 0.00 0.00 178.16 177.95 1pi1 h ALA 139 N 1.14 0.89 -0.43 3.88 0.00 -1.15 -0.58 119.26 123.02 1pi1 h ALA 139 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1pi1 h ALA 139 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1pi1 h ALA 139 CO -0.03 0.27 0.02 1.25 0.00 0.00 0.00 179.25 180.75 1pi1 h HIS 140 N 0.91 0.80 -0.04 0.00 -0.00 -0.87 -1.93 115.15 114.01 1pi1 h HIS 140 Ca 0.27 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1pi1 h HIS 140 Cb -0.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1pi1 h HIS 140 CO -0.03 0.79 -0.05 0.82 -0.00 0.00 0.00 177.93 179.45 1pi1 h ILE 141 N 0.58 0.85 -0.47 6.26 2.04 -0.73 0.80 117.51 126.83 1pi1 h ILE 141 Ca 0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1pi1 h ILE 141 Cb 0.46 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1pi1 h ILE 141 CO 0.02 0.00 0.29 1.88 0.00 0.00 0.00 178.15 180.34 1pi1 h TYR 142 N -0.07 0.62 -0.13 1.37 -1.99 -1.07 0.20 116.97 115.88 1pi1 h TYR 142 Ca 0.04 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.56 1pi1 h TYR 142 Cb 0.13 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1pi1 h TYR 142 CO -0.15 0.42 -0.75 0.45 -0.00 0.00 0.00 178.16 178.14 1pi1 h HIS 143 N 0.63 0.88 0.00 4.88 3.86 -1.20 -3.33 115.15 120.87 1pi1 h HIS 143 Ca 0.17 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1pi1 h HIS 143 Cb -0.02 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1pi1 h HIS 143 CO -0.03 1.19 -1.26 1.04 0.86 0.00 0.00 177.93 179.73 1pi1 n GLN 144 N -3.90 1.12 -0.57 2.45 1.13 0.26 -4.78 117.38 113.09 1pi1 n GLN 144 Ca -0.06 -0.08 0.04 0.00 -1.94 0.00 0.00 57.00 54.96 1pi1 n GLN 144 Cb 0.73 -1.20 0.06 0.00 0.11 0.00 0.00 30.24 29.94 1pi1 n GLN 144 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1pi1 n HIS 145 N -1.73 0.00 0.27 1.08 8.25 0.66 -4.77 115.22 118.97 1pi1 n HIS 145 Ca -0.01 -0.51 0.13 0.00 -0.26 0.00 0.00 57.72 57.08 1pi1 n HIS 145 Cb 0.26 -0.11 0.75 0.00 1.12 0.00 0.00 29.99 32.00 1pi1 n HIS 145 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1pi1 h PHE 146 N 0.28 0.00 -0.36 4.41 3.57 -1.58 -1.91 116.94 121.35 1pi1 h PHE 146 Ca -0.04 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1pi1 h PHE 146 Cb 1.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1pi1 h PHE 146 CO 0.15 0.11 0.07 0.38 -2.23 0.00 0.00 178.31 176.79 1pi1 h ASP 147 N 0.00 0.55 -0.08 0.41 2.03 -1.89 0.44 116.42 117.87 1pi1 h ASP 147 Ca -0.00 -0.24 -0.11 0.00 -0.73 0.00 0.00 57.03 55.95 1pi1 h ASP 147 Cb 0.32 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1pi1 h ASP 147 CO 0.01 0.65 -0.28 0.28 -1.03 0.00 0.00 179.24 178.88 1pi1 h SER 148 N 0.42 0.54 -0.36 4.15 0.02 -1.74 -0.74 113.55 115.85 1pi1 h SER 148 Ca 0.11 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1pi1 h SER 148 Cb 0.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1pi1 h SER 148 CO 0.00 0.80 0.16 0.58 -1.14 0.00 0.00 176.83 177.23 1pi1 h VAL 149 N 0.47 1.18 -0.45 2.27 2.07 -1.06 -1.89 116.25 118.84 1pi1 h VAL 149 Ca 0.06 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1pi1 h VAL 149 Cb 0.72 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1pi1 h VAL 149 CO 0.06 0.20 0.03 0.24 0.02 0.00 0.00 177.57 178.11 1pi1 h MET 150 N 0.44 0.72 -0.59 1.57 2.86 -0.59 -2.25 114.93 117.08 1pi1 h MET 150 Ca 0.12 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1pi1 h MET 150 Cb 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1pi1 h MET 150 CO -0.01 0.71 0.21 0.37 1.06 0.00 0.00 176.91 179.25 1pi1 h GLN 151 N 0.68 0.87 0.00 1.72 5.75 -0.79 -0.74 115.11 122.60 1pi1 h GLN 151 Ca 0.14 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pi1 h GLN 151 Cb 0.38 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1pi1 h GLN 151 CO 0.01 0.73 0.00 1.28 -2.65 0.00 0.00 178.83 178.20 1pi1 n LEU 152 N -4.31 0.00 -2.92 -2.39 4.77 -0.74 -4.90 117.00 106.51 1pi1 n LEU 152 Ca 0.05 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.08 1pi1 n LEU 152 Cb 0.18 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1pi1 n LEU 152 CO 0.39 -0.00 -0.06 0.00 -1.33 0.00 0.00 177.39 176.38 1pi1 n GLN 153 N -1.27 -3.97 -0.46 3.23 6.02 -0.28 -4.89 117.38 115.76 1pi1 n GLN 153 Ca 0.15 0.85 0.08 0.00 -0.01 0.00 0.00 57.00 58.07 1pi1 n GLN 153 Cb 0.23 -5.65 0.26 0.00 1.02 0.00 0.00 30.24 26.11 1pi1 n GLN 153 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1pi1 n GLU 154 N -3.74 3.03 -0.17 -1.09 0.28 -0.99 -4.68 120.64 113.28 1pi1 n GLU 154 Ca -0.13 -2.84 0.08 0.00 -0.16 0.00 0.00 57.16 54.12 1pi1 n GLU 154 Cb 0.62 -1.85 0.38 0.00 1.43 0.00 0.00 31.44 32.03 1pi1 n GLU 154 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1pi1 h GLU 155 N 1.93 0.66 -0.80 3.44 9.09 -1.90 -0.69 114.58 126.31 1pi1 h GLU 155 Ca 0.00 -0.04 0.05 0.00 0.05 0.00 0.00 59.36 59.42 1pi1 h GLU 155 Cb 1.45 -0.15 -0.05 0.00 -1.65 0.00 0.00 28.75 28.35 1pi1 h GLU 155 CO 0.23 0.44 0.52 0.00 0.05 0.00 0.00 179.01 180.25 1pi1 h ALA 156 N 1.63 1.57 -0.25 1.06 0.00 -1.83 0.35 119.26 121.79 1pi1 h ALA 156 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1pi1 h ALA 156 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pi1 h ALA 156 CO -0.11 0.33 -0.15 0.45 0.00 0.00 0.00 179.25 179.78 1pi1 h HIS 157 N 0.93 0.63 -0.02 0.00 3.86 -1.47 -0.32 115.15 118.76 1pi1 h HIS 157 Ca 0.33 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1pi1 h HIS 157 Cb 0.13 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1pi1 h HIS 157 CO -0.00 0.82 0.01 1.25 0.86 0.00 0.00 177.93 180.87 1pi1 h LEU 158 N 0.25 0.02 -0.66 2.43 5.85 -1.11 -1.67 115.31 120.42 1pi1 h LEU 158 Ca 0.05 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1pi1 h LEU 158 Cb 0.67 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1pi1 h LEU 158 CO 0.04 0.21 0.34 0.78 -0.34 0.00 0.00 178.44 179.47 1pi1 h ASN 159 N -0.16 0.85 -0.41 1.25 2.35 -0.93 -0.70 115.58 117.84 1pi1 h ASN 159 Ca 0.01 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 1pi1 h ASN 159 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1pi1 h ASN 159 CO -0.00 0.73 -0.14 0.74 -1.65 0.00 0.00 177.43 177.11 1pi1 h THR 160 N 0.91 1.28 -0.25 2.81 2.02 -1.06 0.05 112.91 118.68 1pi1 h THR 160 Ca 0.23 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1pi1 h THR 160 Cb 0.09 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1pi1 h THR 160 CO -0.03 0.42 0.12 -1.28 0.37 0.00 0.00 175.52 175.12 1pi1 h SER 161 N 0.63 0.32 -0.56 4.18 0.87 -1.15 0.14 113.55 117.99 1pi1 h SER 161 Ca 0.10 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1pi1 h SER 161 Cb 0.68 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1pi1 h SER 161 CO 0.05 0.35 0.28 0.15 -0.53 0.00 0.00 176.83 177.13 1pi1 h PHE 162 N 0.27 0.80 -0.50 2.24 3.57 -1.04 -0.08 116.94 122.20 1pi1 h PHE 162 Ca 0.08 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1pi1 h PHE 162 Cb 0.12 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1pi1 h PHE 162 CO -0.02 0.61 0.28 -0.22 -2.23 0.00 0.00 178.31 176.73 1pi1 h LYS 163 N 0.76 0.69 -0.27 1.11 3.64 -0.77 0.03 116.57 121.75 1pi1 h LYS 163 Ca 0.19 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1pi1 h LYS 163 Cb 0.10 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1pi1 h LYS 163 CO -0.03 0.53 0.10 1.25 -2.27 0.00 0.00 179.45 179.03 1pi1 h HIS 164 N 0.66 0.19 -0.18 1.91 2.76 -0.64 0.01 115.15 119.86 1pi1 h HIS 164 Ca 0.18 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1pi1 h HIS 164 Cb 0.03 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1pi1 h HIS 164 CO -0.02 0.09 0.07 0.35 -1.30 0.00 0.00 177.93 177.12 1pi1 h PHE 165 N 0.23 0.12 -0.55 5.26 3.57 -0.65 -1.23 116.94 123.70 1pi1 h PHE 165 Ca 0.12 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1pi1 h PHE 165 Cb 0.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1pi1 h PHE 165 CO -0.12 0.06 0.02 0.82 -2.23 0.00 0.00 178.31 176.86 1pi1 h ILE 166 N 0.15 1.26 -0.72 1.41 1.08 -0.79 -0.74 117.51 119.17 1pi1 h ILE 166 Ca 0.07 -1.08 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1pi1 h ILE 166 Cb 0.04 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1pi1 h ILE 166 CO -0.07 0.39 0.37 -0.26 -0.69 0.00 0.00 178.15 177.89 1pi1 h PHE 167 N 0.84 0.99 0.23 1.37 -1.00 -0.73 0.68 116.94 119.31 1pi1 h PHE 167 Ca 0.16 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1pi1 h PHE 167 Cb 0.51 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1pi1 h PHE 167 CO 0.04 0.70 -0.11 0.35 -1.61 0.00 0.00 178.31 177.68 1pi1 h PHE 168 N 1.00 -0.28 -0.29 -0.55 3.57 -0.91 -0.01 116.94 119.48 1pi1 h PHE 168 Ca 0.25 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1pi1 h PHE 168 Cb 0.06 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1pi1 h PHE 168 CO 0.01 -0.02 -0.10 -0.39 -2.23 0.00 0.00 178.31 175.58 1pi1 h VAL 169 N -0.52 1.22 -0.36 1.41 -1.51 -0.89 -2.45 116.25 113.15 1pi1 h VAL 169 Ca -0.03 -0.94 -0.12 0.00 -1.23 0.00 0.00 66.70 64.38 1pi1 h VAL 169 Cb 0.39 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1pi1 h VAL 169 CO 0.05 0.31 -0.25 1.56 -1.23 0.00 0.00 177.57 178.01 1pi1 h GLN 170 N 0.45 0.73 -0.60 5.19 4.20 -0.78 0.27 115.11 124.56 1pi1 h GLN 170 Ca 0.09 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1pi1 h GLN 170 Cb 0.44 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1pi1 h GLN 170 CO 0.02 0.90 0.40 1.49 -0.67 0.00 0.00 178.83 180.98 1pi1 h GLU 171 N 0.63 0.73 -0.04 1.46 4.57 -0.51 -3.02 114.58 118.40 1pi1 h GLU 171 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1pi1 h GLU 171 Cb 0.75 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1pi1 h GLU 171 CO 0.06 0.48 0.00 1.19 -1.18 0.00 0.00 179.01 179.56 1pi1 n PHE 172 N -4.46 0.08 -3.90 0.92 3.72 -1.10 -5.01 117.46 107.71 1pi1 n PHE 172 Ca 0.07 -0.72 -0.35 0.00 -0.05 0.00 0.00 57.45 56.39 1pi1 n PHE 172 Cb 0.09 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1pi1 n PHE 172 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1pi1 n ASN 173 N -0.82 -3.57 -0.06 4.37 5.15 0.83 -4.90 115.26 116.26 1pi1 n ASN 173 Ca 0.08 -1.12 0.12 0.00 -0.60 0.00 0.00 54.58 53.07 1pi1 n ASN 173 Cb 0.45 -2.68 0.27 0.00 -0.53 0.00 0.00 39.78 37.29 1pi1 n ASN 173 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1pi1 n LEU 174 N -4.52 0.65 -3.81 1.20 4.77 -0.48 -4.86 117.00 109.95 1pi1 n LEU 174 Ca -0.16 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.62 1pi1 n LEU 174 Cb 0.61 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1pi1 n LEU 174 CO 0.72 0.15 -0.27 -0.63 -1.33 0.00 0.00 177.39 176.02 1pi1 s ILE 175 N -2.87 -0.02 0.37 -0.08 1.01 -1.26 -4.73 121.20 113.62 1pi1 s ILE 175 Ca 0.14 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1pi1 s ILE 175 Cb 0.18 -0.14 -0.10 0.00 0.01 0.00 0.00 42.46 42.41 1pi1 s ILE 175 CO 0.66 0.03 0.99 1.51 0.00 0.00 0.00 174.94 178.12 1pi1 s ASP 176 N 0.42 7.04 0.29 3.58 -4.77 -1.26 -4.94 116.67 117.04 1pi1 s ASP 176 Ca -0.03 1.89 0.01 0.00 -3.30 0.00 0.00 52.55 51.12 1pi1 s ASP 176 Cb -0.05 -2.57 0.70 0.00 -1.09 0.00 0.00 42.92 39.91 1pi1 s ASP 176 CO -0.02 -0.29 1.60 -0.09 0.70 0.00 0.00 175.17 177.08 1pi1 h ARG 177 N 2.68 0.06 -0.89 2.11 2.43 -2.00 -1.46 114.38 117.32 1pi1 h ARG 177 Ca -0.48 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.79 1pi1 h ARG 177 Cb 1.20 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 1pi1 h ARG 177 CO 0.63 0.04 0.57 -0.09 -1.51 0.00 0.00 179.97 179.62 1pi1 h ARG 178 N 0.07 0.82 0.00 0.20 9.65 -2.02 -1.20 114.38 121.90 1pi1 h ARG 178 Ca 0.56 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.36 1pi1 h ARG 178 Cb 1.14 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1pi1 h ARG 178 CO -0.82 0.54 -0.16 0.93 2.80 0.00 0.00 179.97 183.26 1pi1 h GLU 179 N 0.84 0.00 -0.01 0.20 4.39 -1.64 -2.82 114.58 115.54 1pi1 h GLU 179 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1pi1 h GLU 179 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1pi1 h GLU 179 CO -0.18 0.16 -0.01 1.28 -1.16 0.00 0.00 179.01 179.10 1pi1 n LEU 180 N -3.97 0.68 -0.30 1.33 4.77 -0.45 -4.59 117.00 114.47 1pi1 n LEU 180 Ca -0.02 -0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 55.73 1pi1 n LEU 180 Cb 0.25 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1pi1 n LEU 180 CO 0.33 0.11 0.43 0.00 -1.33 0.00 0.00 177.39 176.93 1pi1 n ALA 181 N -0.51 -0.18 0.22 -1.18 0.00 -1.07 -1.04 120.51 116.76 1pi1 n ALA 181 Ca 0.21 0.73 0.13 0.00 0.00 0.00 0.00 53.44 54.51 1pi1 n ALA 181 Cb 0.23 -0.29 0.71 0.00 0.00 0.00 0.00 19.45 20.10 1pi1 n ALA 181 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pi1 h PRO 182 N 0.00 0.00 0.00 0.00 0.13 -1.88 -2.25 132.00 128.00 1pi1 h PRO 182 Ca 0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 1pi1 h PRO 182 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1pi1 h PRO 182 CO -0.75 0.00 -0.27 1.28 -0.23 0.00 0.00 178.00 178.03 1pi1 n LEU 183 N -2.46 1.35 -0.35 1.56 4.77 -0.21 -4.85 117.00 116.81 1pi1 n LEU 183 Ca -0.02 -2.23 -0.02 0.00 -0.03 0.00 0.00 56.01 53.71 1pi1 n LEU 183 Cb 0.13 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.10 1pi1 n LEU 183 CO 0.12 0.55 1.28 1.56 -1.33 0.00 0.00 177.39 179.56 1pi1 h GLN 184 N 0.09 1.28 -0.29 3.23 4.20 -0.91 0.05 115.11 122.76 1pi1 h GLN 184 Ca -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1pi1 h GLN 184 Cb 1.20 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1pi1 h GLN 184 CO 0.00 0.86 0.11 1.49 -0.67 0.00 0.00 178.83 180.63 1pi1 h GLU 185 N 1.31 0.44 -0.40 1.46 4.81 -1.89 -0.51 114.58 119.80 1pi1 h GLU 185 Ca 0.35 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1pi1 h GLU 185 Cb -0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1pi1 h GLU 185 CO -0.07 0.46 0.23 1.25 -0.73 0.00 0.00 179.01 180.15 1pi1 h LEU 186 N 0.32 0.49 -0.90 1.64 5.85 -1.85 -2.47 115.31 118.38 1pi1 h LEU 186 Ca 0.10 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1pi1 h LEU 186 Cb 0.19 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1pi1 h LEU 186 CO -0.01 0.41 0.57 0.40 -0.34 0.00 0.00 178.44 179.48 1pi1 h ILE 187 N 0.52 1.09 0.00 4.05 2.04 -0.72 -0.85 117.51 123.65 1pi1 h ILE 187 Ca 0.14 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1pi1 h ILE 187 Cb 0.02 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1pi1 h ILE 187 CO -0.03 0.19 -0.13 -0.33 0.00 0.00 0.00 178.15 177.86 1pi1 h GLU 188 N 1.07 0.00 0.00 2.37 4.39 -0.66 -2.32 114.58 119.43 1pi1 h GLU 188 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1pi1 h GLU 188 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1pi1 h GLU 188 CO -0.15 0.13 -0.16 0.87 -1.16 0.00 0.00 179.01 178.53 1pi1 h LYS 189 N 0.00 0.00 -7.03 2.33 1.57 -0.73 -3.47 116.57 109.24 1pi1 h LYS 189 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1pi1 h LYS 189 Cb 0.41 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.84 1pi1 h LYS 189 CO 0.02 0.00 0.58 -0.51 -0.57 0.00 0.00 179.45 178.96 1pi1 s LEU 190 N -4.94 3.91 0.00 2.94 1.43 -0.87 -4.70 118.68 116.44 1pi1 s LEU 190 Ca 0.08 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1pi1 s LEU 190 Cb 0.11 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1pi1 s LEU 190 CO 0.65 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 176.46 1pi1 n GLY 191 N 0.64 1.20 3.63 -3.19 0.00 -1.26 -4.93 105.19 101.28 1pi1 n GLY 191 Ca 0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1pi1 n GLY 191 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pi1 s SER 192 N -4.00 -0.11 0.06 1.61 1.04 -1.26 -4.96 113.70 106.08 1pi1 s SER 192 Ca 0.00 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.27 1pi1 s SER 192 Cb 0.00 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 1pi1 s SER 192 CO 0.00 -0.09 0.92 -0.54 0.98 0.00 0.00 173.24 174.51 1pi1 s LYS 193 N -0.87 4.61 -0.08 4.02 1.02 -1.26 -4.89 119.74 122.28 1pi1 s LYS 193 Ca 0.07 1.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.38 1pi1 s LYS 193 Cb -0.01 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1pi1 s LYS 193 CO -0.07 0.14 2.59 -3.47 -0.92 0.00 0.00 175.35 173.62 1pi1 n ASP 194 N 3.17 5.56 0.00 2.83 -0.08 -1.26 -5.31 116.55 121.47 1pi1 n ASP 194 Ca 0.02 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1pi1 n ASP 194 Cb 0.50 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.74 1pi1 n ASP 194 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86