#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eic s GLU 2 N 0.00 4.19 0.63 1.64 2.12 -1.26 -5.07 118.70 120.96 1eic s GLU 2 Ca 0.00 0.73 -0.14 0.00 0.36 0.00 0.00 54.97 55.93 1eic s GLU 2 Cb 0.00 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1eic s GLU 2 CO 0.00 0.61 1.06 0.95 -0.54 0.00 0.00 175.26 177.34 1eic s THR 3 N -1.17 3.88 0.23 -1.70 -4.23 -1.26 -4.85 115.64 106.53 1eic s THR 3 Ca 0.31 0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1eic s THR 3 Cb -0.19 -3.38 0.18 0.00 1.34 0.00 0.00 72.50 70.46 1eic s THR 3 CO 0.19 -0.63 1.85 0.00 -0.54 0.00 0.00 174.62 175.50 1eic h ALA 4 N 0.00 1.06 -0.53 3.99 0.00 -1.96 -0.53 119.26 121.28 1eic h ALA 4 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1eic h ALA 4 Cb 1.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1eic h ALA 4 CO 0.57 0.26 0.23 0.00 0.00 0.00 0.00 179.25 180.31 1eic h ALA 5 N 1.36 0.69 -0.47 0.00 0.00 -1.89 -1.42 119.26 117.53 1eic h ALA 5 Ca 0.33 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1eic h ALA 5 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1eic h ALA 5 CO -0.14 0.28 -0.10 0.00 0.00 0.00 0.00 179.25 179.29 1eic h ALA 6 N 1.07 0.95 -0.52 0.00 0.00 -1.79 -1.75 119.26 117.22 1eic h ALA 6 Ca 0.18 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1eic h ALA 6 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1eic h ALA 6 CO -0.02 0.62 0.08 -0.22 0.00 0.00 0.00 179.25 179.71 1eic h LYS 7 N 0.76 0.87 -0.75 0.00 3.64 -0.86 -1.32 116.57 118.92 1eic h LYS 7 Ca 0.13 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1eic h LYS 7 Cb 0.59 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1eic h LYS 7 CO 0.04 0.85 0.49 0.35 -2.27 0.00 0.00 179.45 178.91 1eic h PHE 8 N 0.75 0.95 -0.12 1.91 3.04 -1.00 -0.16 116.94 122.30 1eic h PHE 8 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1eic h PHE 8 Cb 0.41 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1eic h PHE 8 CO 0.03 0.60 0.08 0.93 -2.02 0.00 0.00 178.31 177.93 1eic h GLU 9 N 1.01 0.16 -0.54 1.11 5.08 -0.99 0.81 114.58 121.23 1eic h GLU 9 Ca 0.27 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1eic h GLU 9 Cb -0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1eic h GLU 9 CO -0.06 0.14 0.17 -0.09 -1.00 0.00 0.00 179.01 178.16 1eic h ARG 10 N 0.14 0.83 0.00 2.33 2.43 -0.93 -1.42 114.38 117.77 1eic h ARG 10 Ca 0.04 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.86 1eic h ARG 10 Cb 0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1eic h ARG 10 CO -0.01 0.77 -0.85 1.96 -1.51 0.00 0.00 179.97 180.33 1eic h GLN 11 N 0.74 0.00 0.00 0.20 4.20 -0.94 -3.40 115.11 115.90 1eic h GLN 11 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1eic h GLN 11 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1eic h GLN 11 CO -0.01 0.85 0.00 0.72 -0.67 0.00 0.00 178.83 179.72 1eic n HIS 12 N -3.48 0.00 -3.91 2.96 8.25 0.27 -4.63 115.22 114.68 1eic n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1eic n HIS 12 Cb 0.82 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.84 1eic n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1eic s MET 13 N -0.42 4.00 -0.44 -0.41 -1.94 -0.54 0.16 119.30 119.72 1eic s MET 13 Ca 0.00 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 53.72 1eic s MET 13 Cb 0.00 -3.29 0.21 0.00 2.01 0.00 0.00 34.83 33.76 1eic s MET 13 CO 0.00 0.23 0.57 -3.47 -0.01 0.00 0.00 175.02 172.33 1eic n ASP 14 N 3.69 -1.38 -0.01 3.03 4.64 -0.62 -4.86 116.55 121.04 1eic n ASP 14 Ca -0.16 -2.73 0.14 0.00 -1.38 0.00 0.00 54.79 50.66 1eic n ASP 14 Cb 0.52 0.34 0.64 0.00 -1.04 0.00 0.00 41.12 41.58 1eic n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1eic n SER 15 N 2.28 0.08 0.12 1.67 7.64 -1.26 -3.78 113.62 120.38 1eic n SER 15 Ca 0.21 0.11 0.12 0.00 1.01 0.00 0.00 58.87 60.33 1eic n SER 15 Cb 0.54 -0.33 0.47 0.00 -1.01 0.00 0.00 64.21 63.88 1eic n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1eic n SER 16 N -1.37 0.68 -4.08 6.43 3.41 -1.26 -4.71 113.62 112.72 1eic n SER 16 Ca 0.10 0.64 -0.18 0.00 -0.26 0.00 0.00 58.87 59.17 1eic n SER 16 Cb 0.30 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.32 1eic n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1eic s THR 17 N -3.26 0.86 -0.21 6.66 -4.23 -1.25 -5.03 115.64 109.19 1eic s THR 17 Ca 0.06 -0.75 0.22 0.00 -1.18 0.00 0.00 61.69 60.04 1eic s THR 17 Cb 0.10 -0.78 0.25 0.00 1.34 0.00 0.00 72.50 73.41 1eic s THR 17 CO 0.44 0.03 1.64 0.77 -0.54 0.00 0.00 174.62 176.96 1eic h SER 18 N 5.29 0.00 -4.33 3.99 4.64 -1.88 -3.44 113.55 117.82 1eic h SER 18 Ca -0.35 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.19 1eic h SER 18 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 1eic h SER 18 CO 0.46 0.18 0.73 0.00 -0.87 0.00 0.00 176.83 177.33 1eic s ALA 19 N -3.26 -2.01 -0.67 5.18 0.00 -1.26 -4.84 121.76 114.90 1eic s ALA 19 Ca 0.04 1.45 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 1eic s ALA 19 Cb 0.07 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1eic s ALA 19 CO 0.67 -0.61 1.22 0.00 0.00 0.00 0.00 175.76 177.04 1eic s ALA 20 N -2.57 2.87 -0.47 0.00 0.00 -1.26 -4.88 121.76 115.46 1eic s ALA 20 Ca 0.08 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1eic s ALA 20 Cb -0.01 -4.14 0.62 0.00 0.00 0.00 0.00 23.12 19.59 1eic s ALA 20 CO -0.06 -3.01 1.91 -1.13 0.00 0.00 0.00 175.76 173.48 1eic n SER 21 N 8.88 4.28 -3.57 0.00 3.41 -1.26 -4.81 113.62 120.55 1eic n SER 21 Ca 0.04 -3.59 -0.16 0.00 -0.26 0.00 0.00 58.87 54.90 1eic n SER 21 Cb 0.49 -0.85 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 1eic n SER 21 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1eic s SER 22 N -1.30 -0.70 0.44 4.04 0.01 -1.26 -5.03 113.70 109.90 1eic s SER 22 Ca 0.56 1.06 0.30 0.00 1.31 0.00 0.00 55.95 59.19 1eic s SER 22 Cb 0.47 0.98 1.32 0.00 0.21 0.00 0.00 66.02 69.01 1eic s SER 22 CO 0.09 -0.44 1.90 0.77 0.41 0.00 0.00 173.24 175.98 1eic h SER 23 N 3.96 0.00 0.00 2.44 4.64 -1.93 -2.62 113.55 120.05 1eic h SER 23 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1eic h SER 23 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1eic h SER 23 CO 0.23 0.00 -0.05 0.59 -0.87 0.00 0.00 176.83 176.73 1eic n ASN 24 N -2.72 1.94 -0.10 4.97 5.03 -1.26 -4.44 115.26 118.68 1eic n ASN 24 Ca 0.01 -1.60 -0.08 0.00 0.87 0.00 0.00 54.58 53.78 1eic n ASN 24 Cb 0.24 0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 39.01 1eic n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1eic h TYR 25 N 2.97 -0.91 -0.73 3.10 5.03 -1.86 -1.83 116.97 122.74 1eic h TYR 25 Ca 0.00 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1eic h TYR 25 Cb 0.67 0.45 -0.03 0.00 1.55 0.00 0.00 36.73 39.37 1eic h TYR 25 CO 0.00 -0.39 0.25 0.00 -1.32 0.00 0.00 178.16 176.70 1eic h ASN 27 N 1.08 0.71 -0.08 0.00 2.35 -1.70 0.14 115.58 118.08 1eic h ASN 27 Ca 0.24 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1eic h ASN 27 Cb 0.27 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1eic h ASN 27 CO -0.01 0.51 -0.08 1.56 -1.65 0.00 0.00 177.43 177.76 1eic h GLN 28 N 0.85 0.19 -0.53 0.81 4.20 -0.98 -3.03 115.11 116.62 1eic h GLN 28 Ca 0.25 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1eic h GLN 28 Cb -0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1eic h GLN 28 CO -0.07 0.62 -0.01 0.52 -0.67 0.00 0.00 178.83 179.22 1eic h MET 29 N -0.24 0.95 -0.23 1.46 2.86 -0.80 -0.33 114.93 118.59 1eic h MET 29 Ca 0.01 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 1eic h MET 29 Cb 0.59 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1eic h MET 29 CO 0.02 0.97 -0.03 0.52 1.06 0.00 0.00 176.91 179.45 1eic h MET 30 N 0.82 0.35 0.02 1.72 2.86 -1.06 -0.27 114.93 119.37 1eic h MET 30 Ca 0.15 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1eic h MET 30 Cb 0.54 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1eic h MET 30 CO 0.03 0.40 -0.19 -0.22 1.06 0.00 0.00 176.91 177.99 1eic h LYS 31 N 0.34 0.10 -0.00 1.72 3.64 -1.37 0.13 116.57 121.14 1eic h LYS 31 Ca 0.08 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1eic h LYS 31 Cb 0.28 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1eic h LYS 31 CO 0.01 0.95 -0.37 0.66 -2.27 0.00 0.00 179.45 178.43 1eic h SER 32 N -0.69 0.01 -0.20 4.20 4.64 -0.92 -1.98 113.55 118.61 1eic h SER 32 Ca -0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1eic h SER 32 Cb 1.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1eic h SER 32 CO 0.04 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 176.92 1eic n ARG 33 N -4.09 1.54 -3.54 4.77 5.12 -0.12 -4.91 116.66 115.43 1eic n ARG 33 Ca -0.02 -0.83 -0.22 0.00 -1.93 0.00 0.00 57.85 54.85 1eic n ARG 33 Cb 0.41 -1.26 0.08 0.00 -1.16 0.00 0.00 32.46 30.53 1eic n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1eic n ASN 34 N 0.13 -5.38 -1.20 0.55 5.03 -0.75 -4.87 115.26 108.77 1eic n ASN 34 Ca 0.11 -0.54 0.11 0.00 0.87 0.00 0.00 54.58 55.13 1eic n ASN 34 Cb 0.22 -4.96 0.26 0.00 -1.02 0.00 0.00 39.78 34.28 1eic n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1eic n LEU 35 N -4.73 3.64 -0.74 3.41 4.77 0.03 -4.26 117.00 119.13 1eic n LEU 35 Ca -0.05 -1.76 0.06 0.00 -0.03 0.00 0.00 56.01 54.23 1eic n LEU 35 Cb 0.58 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.48 1eic n LEU 35 CO 0.63 0.85 0.31 0.35 -1.33 0.00 0.00 177.39 178.20 1eic n THR 36 N 1.49 1.74 -3.18 -5.08 -2.24 -1.21 -2.20 114.28 103.60 1eic n THR 36 Ca 0.21 -2.72 -0.39 0.00 -2.27 0.00 0.00 64.05 58.88 1eic n THR 36 Cb 0.60 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 1eic n THR 36 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1eic s LYS 37 N -2.56 4.38 0.00 -0.78 1.02 -1.26 -4.04 119.74 116.50 1eic s LYS 37 Ca 0.36 0.69 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1eic s LYS 37 Cb 0.36 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1eic s LYS 37 CO -0.08 0.14 0.00 -0.25 -0.92 0.00 0.00 175.35 174.24 1eic n ASP 38 N 3.60 0.00 -3.62 2.83 10.43 -1.26 -4.76 116.55 123.77 1eic n ASP 38 Ca -0.04 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.27 1eic n ASP 38 Cb 0.51 -0.34 -0.04 0.00 1.84 0.00 0.00 41.12 43.09 1eic n ASP 38 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1eic s ARG 39 N 0.00 0.26 -0.32 -1.24 3.52 -1.26 -5.06 118.95 114.85 1eic s ARG 39 Ca 0.00 0.05 -0.27 0.00 -0.13 0.00 0.00 55.73 55.38 1eic s ARG 39 Cb 0.00 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 1eic s ARG 39 CO 0.00 -0.08 0.97 0.00 -0.81 0.00 0.00 175.30 175.38 1eic s LYS 41 N 3.42 4.17 0.18 0.00 2.20 -0.94 -4.88 119.74 123.89 1eic s LYS 41 Ca 0.41 2.44 -0.13 0.00 -0.36 0.00 0.00 55.97 58.32 1eic s LYS 41 Cb -0.13 -3.78 0.13 0.00 -1.51 0.00 0.00 37.83 32.54 1eic s LYS 41 CO 0.15 -0.83 1.80 -1.35 -0.36 0.00 0.00 175.35 174.76 1eic h PRO 42 N 9.06 0.53 -3.61 4.03 0.11 -1.94 -3.44 132.00 136.75 1eic h PRO 42 Ca -0.44 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 1eic h PRO 42 Cb 1.21 -0.12 -0.28 0.00 0.11 0.00 0.00 31.00 31.92 1eic h PRO 42 CO 0.94 0.35 -0.67 0.08 -0.21 0.00 0.00 178.00 178.50 1eic s VAL 43 N -6.13 -0.00 -0.28 3.15 1.01 -1.26 -1.80 120.40 115.09 1eic s VAL 43 Ca -0.13 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1eic s VAL 43 Cb 0.13 -0.08 0.08 0.00 0.00 0.00 0.00 36.38 36.52 1eic s VAL 43 CO 0.74 0.00 0.76 0.21 0.00 0.00 0.00 175.10 176.81 1eic s ASN 44 N 0.07 -0.78 -0.08 3.32 3.84 -0.28 -5.01 114.94 116.03 1eic s ASN 44 Ca -0.00 1.38 -0.00 0.00 0.21 0.00 0.00 52.86 54.44 1eic s ASN 44 Cb -0.01 1.37 -0.03 0.00 -0.55 0.00 0.00 41.25 42.03 1eic s ASN 44 CO -0.00 -0.23 -0.05 -0.89 -2.79 0.00 0.00 177.10 173.14 1eic s THR 45 N 0.91 3.87 -0.09 -5.21 2.01 -1.26 -0.37 115.64 115.49 1eic s THR 45 Ca -0.04 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1eic s THR 45 Cb -0.05 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1eic s THR 45 CO -0.09 0.60 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.93 1eic s PHE 46 N -0.77 2.74 -0.22 4.92 0.08 -0.16 -4.27 117.98 120.30 1eic s PHE 46 Ca 0.12 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 1eic s PHE 46 Cb -0.11 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1eic s PHE 46 CO 0.02 -0.05 0.07 0.08 -0.10 0.00 0.00 175.22 175.24 1eic s VAL 47 N -0.14 4.56 -1.14 -0.44 1.01 0.12 -0.69 120.40 123.69 1eic s VAL 47 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1eic s VAL 47 Cb -0.14 -3.09 0.26 0.00 0.00 0.00 0.00 36.38 33.41 1eic s VAL 47 CO 0.03 0.39 1.76 1.41 0.00 0.00 0.00 175.10 178.70 1eic n HIS 48 N 4.25 2.53 -4.04 5.22 -0.00 0.86 -1.59 115.22 122.45 1eic n HIS 48 Ca -0.16 -2.64 -0.10 0.00 -0.00 0.00 0.00 57.72 54.82 1eic n HIS 48 Cb 0.52 -1.45 -0.08 0.00 -0.00 0.00 0.00 29.99 28.97 1eic n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1eic s GLU 49 N -2.30 1.13 0.67 -0.41 0.41 -1.26 -4.43 118.70 112.50 1eic s GLU 49 Ca 0.37 -1.29 -0.17 0.00 -0.41 0.00 0.00 54.97 53.48 1eic s GLU 49 Cb 0.11 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.80 1eic s GLU 49 CO 0.01 -0.39 1.20 -1.54 -0.49 0.00 0.00 175.26 174.05 1eic s SER 50 N -3.01 4.67 0.30 -0.19 1.04 -1.26 -4.18 113.70 111.07 1eic s SER 50 Ca 0.21 2.35 -0.01 0.00 0.48 0.00 0.00 55.95 58.98 1eic s SER 50 Cb 0.04 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 64.04 1eic s SER 50 CO 0.02 -1.94 1.94 0.25 0.98 0.00 0.00 173.24 174.49 1eic h LEU 51 N 0.22 0.95 -0.78 2.42 5.85 -1.98 -1.85 115.31 120.14 1eic h LEU 51 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1eic h LEU 51 Cb 1.29 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1eic h LEU 51 CO 0.52 0.65 0.50 0.00 -0.34 0.00 0.00 178.44 179.78 1eic h ALA 52 N 1.48 0.98 -0.73 1.25 0.00 -1.99 0.63 119.26 120.89 1eic h ALA 52 Ca 0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1eic h ALA 52 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1eic h ALA 52 CO -0.10 0.41 0.25 -0.44 0.00 0.00 0.00 179.25 179.36 1eic h ASP 53 N 1.05 1.05 -0.19 0.00 5.19 -1.71 -0.65 116.42 121.16 1eic h ASP 53 Ca 0.28 -0.18 -0.18 0.00 -0.62 0.00 0.00 57.03 56.32 1eic h ASP 53 Cb -0.10 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.14 1eic h ASP 53 CO -0.06 0.96 -0.60 0.58 -3.12 0.00 0.00 179.24 177.00 1eic h VAL 54 N 1.08 1.30 -0.46 -1.35 2.07 -0.96 -3.08 116.25 114.86 1eic h VAL 54 Ca 0.24 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 1eic h VAL 54 Cb 0.28 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1eic h VAL 54 CO -0.01 0.58 0.18 1.56 0.02 0.00 0.00 177.57 179.89 1eic h GLN 55 N 0.46 0.66 0.00 1.57 4.20 -0.73 -2.13 115.11 119.14 1eic h GLN 55 Ca -0.02 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1eic h GLN 55 Cb 1.23 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 1eic h GLN 55 CO 0.13 0.55 -0.02 0.00 -0.67 0.00 0.00 178.83 178.82 1eic h ALA 56 N 1.54 1.22 0.00 3.87 0.00 -1.02 -2.22 119.26 122.65 1eic h ALA 56 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1eic h ALA 56 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1eic h ALA 56 CO -0.01 0.02 -0.05 0.28 0.00 0.00 0.00 179.25 179.49 1eic h VAL 57 N 0.00 0.56 0.00 0.00 2.07 -1.39 -1.98 116.25 115.50 1eic h VAL 57 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1eic h VAL 57 Cb 0.08 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1eic h VAL 57 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1eic n SER 59 N -1.45 2.12 0.00 0.00 3.41 -0.75 -5.00 113.62 111.95 1eic n SER 59 Ca 0.02 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 1eic n SER 59 Cb 0.06 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1eic n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1eic n GLN 60 N -1.27 1.87 -2.21 4.33 6.02 -0.36 -5.00 117.38 120.77 1eic n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1eic n GLN 60 Cb 0.63 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.86 1eic n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1eic s LYS 61 N 4.62 3.60 -0.10 -1.09 2.47 -1.14 -4.88 119.74 123.23 1eic s LYS 61 Ca 0.00 1.27 -0.30 0.00 -1.56 0.00 0.00 55.97 55.39 1eic s LYS 61 Cb 0.00 -4.06 -0.03 0.00 -1.46 0.00 0.00 37.83 32.28 1eic s LYS 61 CO 0.00 -1.53 1.36 1.21 0.16 0.00 0.00 175.35 176.54 1eic s ASN 62 N 4.47 6.89 0.11 1.43 2.47 -1.26 -0.14 114.94 128.91 1eic s ASN 62 Ca 0.68 1.89 0.02 0.00 0.42 0.00 0.00 52.86 55.87 1eic s ASN 62 Cb -0.19 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 1eic s ASN 62 CO 0.31 -0.76 -0.05 0.68 -3.72 0.00 0.00 177.10 173.56 1eic s VAL 63 N 3.22 0.66 0.46 -5.21 -7.23 0.37 -4.93 120.40 107.74 1eic s VAL 63 Ca 0.60 -1.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 1eic s VAL 63 Cb -0.26 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.82 1eic s VAL 63 CO 0.21 -0.78 1.14 0.00 -0.31 0.00 0.00 175.10 175.36 1eic s ALA 64 N -3.65 2.95 0.64 1.32 0.00 -1.26 -3.31 121.76 118.44 1eic s ALA 64 Ca 0.15 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1eic s ALA 64 Cb 0.06 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1eic s ALA 64 CO -0.03 -0.61 0.95 0.00 0.00 0.00 0.00 175.76 176.07 1eic h LYS 66 N -0.35 0.77 -0.01 0.00 2.10 -1.89 -1.46 116.57 115.74 1eic h LYS 66 Ca -0.45 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1eic h LYS 66 Cb 1.28 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1eic h LYS 66 CO 0.60 0.51 0.00 0.27 -2.00 0.00 0.00 179.45 178.83 1eic n ASN 67 N -4.45 0.35 0.00 7.07 0.23 -1.26 -4.90 115.26 112.30 1eic n ASN 67 Ca 0.07 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 1eic n ASN 67 Cb 0.09 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1eic n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1eic n GLY 68 N 1.00 2.62 3.62 4.83 0.00 -0.55 -5.05 105.19 111.66 1eic n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1eic n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1eic n GLN 69 N -2.00 -0.42 -0.42 1.61 6.02 -1.26 -4.62 117.38 116.29 1eic n GLN 69 Ca 0.00 -0.06 0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1eic n GLN 69 Cb 0.00 -2.27 0.23 0.00 1.02 0.00 0.00 30.24 29.23 1eic n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1eic n THR 70 N -4.10 2.25 -1.30 5.09 -2.24 -1.26 -1.50 114.28 111.22 1eic n THR 70 Ca 0.11 -2.04 -0.20 0.00 -2.27 0.00 0.00 64.05 59.65 1eic n THR 70 Cb 0.52 -0.26 0.18 0.00 -2.10 0.00 0.00 70.33 68.67 1eic n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1eic n ASN 71 N -0.74 3.66 -4.82 3.42 6.94 -1.26 -4.80 115.26 117.66 1eic n ASN 71 Ca 0.22 -3.67 -0.30 0.00 -0.02 0.00 0.00 54.58 50.81 1eic n ASN 71 Cb 0.87 -0.79 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1eic n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1eic s TYR 73 N -1.49 0.22 -0.16 0.00 1.51 0.34 -0.48 117.35 117.30 1eic s TYR 73 Ca 0.31 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 1eic s TYR 73 Cb -0.12 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1eic s TYR 73 CO 0.24 -0.02 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.48 1eic s GLN 74 N -0.24 3.67 0.34 -0.62 0.74 0.80 -1.37 119.66 122.97 1eic s GLN 74 Ca -0.01 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.59 1eic s GLN 74 Cb -0.02 -2.92 -0.11 0.00 1.10 0.00 0.00 33.01 31.06 1eic s GLN 74 CO -0.00 0.23 1.51 -1.54 -0.55 0.00 0.00 175.29 174.94 1eic s SER 75 N 0.38 6.40 0.23 6.67 1.04 -0.27 -2.88 113.70 125.27 1eic s SER 75 Ca -0.04 2.97 -0.05 0.00 0.48 0.00 0.00 55.95 59.31 1eic s SER 75 Cb -0.14 -2.65 0.23 0.00 0.10 0.00 0.00 66.02 63.55 1eic s SER 75 CO 0.03 -0.86 1.74 1.88 0.98 0.00 0.00 173.24 177.02 1eic h TYR 76 N 3.77 1.04 -2.08 5.02 0.05 -1.95 -3.43 116.97 119.39 1eic h TYR 76 Ca -0.49 -0.13 -0.51 0.00 0.05 0.00 0.00 58.73 57.65 1eic h TYR 76 Cb 1.23 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 38.63 1eic h TYR 76 CO 0.56 0.88 -0.52 -1.54 -1.05 0.00 0.00 178.16 176.49 1eic s SER 77 N -6.54 5.31 0.64 3.88 1.04 -1.26 -5.06 113.70 111.72 1eic s SER 77 Ca -0.11 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 1eic s SER 77 Cb 0.15 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 1eic s SER 77 CO 0.83 -0.14 1.04 0.42 0.98 0.00 0.00 173.24 176.37 1eic s THR 78 N -2.22 4.25 0.08 2.02 -4.23 -1.26 -4.49 115.64 109.79 1eic s THR 78 Ca 0.35 0.80 0.03 0.00 -1.18 0.00 0.00 61.69 61.70 1eic s THR 78 Cb -0.07 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 1eic s THR 78 CO 0.25 -0.88 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.31 1eic s MET 79 N -4.87 0.77 -0.03 3.99 -1.94 0.11 -4.84 119.30 112.50 1eic s MET 79 Ca 0.58 -1.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.17 1eic s MET 79 Cb -0.13 -0.44 -0.03 0.00 2.01 0.00 0.00 34.83 36.24 1eic s MET 79 CO 0.50 0.06 1.15 0.45 -0.01 0.00 0.00 175.02 177.18 1eic s SER 80 N -2.33 7.11 0.11 3.03 0.15 -1.26 -1.53 113.70 118.98 1eic s SER 80 Ca 0.03 1.81 -0.01 0.00 0.70 0.00 0.00 55.95 58.47 1eic s SER 80 Cb -0.03 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1eic s SER 80 CO -0.01 -0.51 0.04 0.27 1.20 0.00 0.00 173.24 174.23 1eic s ILE 81 N 1.81 0.13 -0.08 6.45 -5.25 0.39 -0.10 121.20 124.55 1eic s ILE 81 Ca 0.55 -1.87 0.00 0.00 -0.99 0.00 0.00 60.65 58.34 1eic s ILE 81 Cb -0.25 -1.91 0.02 0.00 2.95 0.00 0.00 42.46 43.28 1eic s ILE 81 CO 0.24 -0.60 -0.06 -0.89 -1.79 0.00 0.00 174.94 171.84 1eic s THR 82 N -4.01 0.79 -0.14 8.37 2.01 0.14 -0.92 115.64 121.88 1eic s THR 82 Ca 0.20 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1eic s THR 82 Cb 0.08 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1eic s THR 82 CO -0.01 0.31 0.26 -1.81 -0.69 0.00 0.00 174.62 172.67 1eic s ASP 83 N 1.35 6.44 -0.16 3.53 -0.00 0.33 -0.99 116.67 127.18 1eic s ASP 83 Ca -0.03 0.52 -0.01 0.00 -0.00 0.00 0.00 52.55 53.03 1eic s ASP 83 Cb -0.14 -2.16 -0.01 0.00 -0.00 0.00 0.00 42.92 40.62 1eic s ASP 83 CO -0.03 0.20 -0.12 0.00 -0.00 0.00 0.00 175.17 175.22 1eic s ARG 85 N 0.75 0.24 0.41 0.00 0.52 -1.01 -1.12 118.95 118.73 1eic s ARG 85 Ca -0.05 -0.01 -0.26 0.00 -0.52 0.00 0.00 55.73 54.89 1eic s ARG 85 Cb -0.15 -0.33 -0.10 0.00 0.52 0.00 0.00 34.95 34.89 1eic s ARG 85 CO 0.01 -0.04 1.26 0.39 0.02 0.00 0.00 175.30 176.95 1eic n GLU 86 N 3.55 1.94 -3.54 3.54 1.02 -0.75 0.24 120.64 126.65 1eic n GLU 86 Ca -0.20 0.69 -0.19 0.00 -0.02 0.00 0.00 57.16 57.44 1eic n GLU 86 Cb 0.55 -2.36 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 1eic n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1eic s THR 87 N -1.19 4.17 0.55 2.62 -4.23 -0.13 -4.73 115.64 112.69 1eic s THR 87 Ca 0.60 -1.02 0.23 0.00 -1.18 0.00 0.00 61.69 60.32 1eic s THR 87 Cb -0.52 -3.44 0.33 0.00 1.34 0.00 0.00 72.50 70.21 1eic s THR 87 CO 0.59 -0.18 2.12 1.23 -0.54 0.00 0.00 174.62 177.84 1eic h GLY 88 N 0.94 0.00 1.31 3.99 0.00 -1.95 0.17 103.07 107.53 1eic h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1eic h GLY 88 CO 0.54 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.94 1eic n SER 89 N -4.25 0.00 -4.69 0.19 3.41 -1.26 -4.82 113.62 102.19 1eic n SER 89 Ca 0.01 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 1eic n SER 89 Cb 0.26 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1eic n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1eic s SER 90 N -2.31 7.06 -0.27 4.04 0.15 0.60 -4.76 113.70 118.21 1eic s SER 90 Ca 0.33 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1eic s SER 90 Cb 0.18 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 1eic s SER 90 CO 0.36 -0.55 0.41 -1.59 1.20 0.00 0.00 173.24 173.08 1eic s LYS 91 N 1.91 0.40 0.44 5.44 -2.85 -1.10 -4.86 119.74 119.12 1eic s LYS 91 Ca 0.57 0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 55.65 1eic s LYS 91 Cb -0.26 -0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.11 1eic s LYS 91 CO 0.24 -0.86 0.96 0.98 0.10 0.00 0.00 175.35 176.77 1eic n TYR 92 N 5.36 0.99 0.86 1.78 9.36 -1.26 0.57 117.16 134.82 1eic n TYR 92 Ca -0.01 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1eic n TYR 92 Cb 0.50 -2.20 0.03 0.00 -0.63 0.00 0.00 39.34 37.04 1eic n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1eic n PRO 93 N 0.08 1.26 -2.74 2.98 -0.04 -1.26 -4.92 135.00 130.35 1eic n PRO 93 Ca 0.10 -0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 1eic n PRO 93 Cb 0.40 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1eic n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1eic n ASN 94 N 0.10 5.89 -4.73 3.54 3.02 0.19 -5.05 115.26 118.22 1eic n ASN 94 Ca 0.02 -3.70 -0.40 0.00 -0.03 0.00 0.00 54.58 50.47 1eic n ASN 94 Cb 0.36 -0.84 0.02 0.00 -0.61 0.00 0.00 39.78 38.71 1eic n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1eic s ALA 96 N -1.22 0.68 0.04 0.00 0.00 -1.26 -4.87 121.76 115.13 1eic s ALA 96 Ca 0.63 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1eic s ALA 96 Cb -0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1eic s ALA 96 CO 0.56 0.06 -0.14 0.71 0.00 0.00 0.00 175.76 176.96 1eic s TYR 97 N 0.50 1.19 -0.01 0.00 2.02 -1.26 -0.96 117.35 118.83 1eic s TYR 97 Ca -0.07 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 1eic s TYR 97 Cb -0.10 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 1eic s TYR 97 CO 0.00 0.03 0.47 0.21 -1.57 0.00 0.00 175.55 174.70 1eic s LYS 98 N -1.18 4.12 -0.27 -0.62 2.20 0.14 -4.64 119.74 119.49 1eic s LYS 98 Ca 0.01 0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1eic s LYS 98 Cb -0.08 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1eic s LYS 98 CO 0.01 0.52 0.09 0.99 -0.36 0.00 0.00 175.35 176.60 1eic s THR 99 N -0.57 4.38 -0.27 3.43 2.01 -1.26 -2.41 115.64 120.94 1eic s THR 99 Ca 0.26 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1eic s THR 99 Cb -0.17 -3.11 0.07 0.00 0.01 0.00 0.00 72.50 69.30 1eic s THR 99 CO 0.14 0.25 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.39 1eic s THR 100 N 1.61 1.89 0.13 -0.82 2.01 -0.56 -4.97 115.64 114.94 1eic s THR 100 Ca 0.06 -1.64 -0.23 0.00 0.31 0.00 0.00 61.69 60.18 1eic s THR 100 Cb -0.16 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.11 1eic s THR 100 CO 0.04 -0.22 0.71 -1.58 -0.69 0.00 0.00 174.62 172.88 1eic s GLN 101 N 1.19 4.44 0.31 4.92 2.00 -1.26 -0.51 119.66 130.75 1eic s GLN 101 Ca -0.02 1.02 -0.19 0.00 -2.00 0.00 0.00 55.36 54.16 1eic s GLN 101 Cb -0.19 -3.25 0.03 0.00 0.80 0.00 0.00 33.01 30.39 1eic s GLN 101 CO -0.07 0.60 0.73 0.00 -0.50 0.00 0.00 175.29 176.04 1eic s ALA 102 N -1.14 -1.01 -0.22 1.58 0.00 -0.10 -4.98 121.76 115.89 1eic s ALA 102 Ca 0.33 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1eic s ALA 102 Cb -0.22 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1eic s ALA 102 CO 0.24 -1.01 -0.06 -0.80 0.00 0.00 0.00 175.76 174.12 1eic s ASN 103 N -2.97 3.69 0.25 0.00 -0.87 -1.26 -0.46 114.94 113.31 1eic s ASN 103 Ca 0.13 -1.08 -0.09 0.00 -1.57 0.00 0.00 52.86 50.24 1eic s ASN 103 Cb -0.05 -1.17 -0.01 0.00 -0.02 0.00 0.00 41.25 40.00 1eic s ASN 103 CO 0.09 -0.21 0.41 -0.54 -2.57 0.00 0.00 177.10 174.27 1eic s LYS 104 N 1.41 1.52 0.20 -0.60 1.02 -0.59 -4.78 119.74 117.92 1eic s LYS 104 Ca -0.05 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.27 1eic s LYS 104 Cb -0.18 0.43 -0.08 0.00 -0.52 0.00 0.00 37.83 37.48 1eic s LYS 104 CO -0.07 -0.61 0.96 -1.01 -0.92 0.00 0.00 175.35 173.70 1eic s HIS 105 N -3.94 3.90 0.12 3.18 3.76 -1.26 0.09 115.29 121.14 1eic s HIS 105 Ca 0.26 1.86 0.02 0.00 -0.15 0.00 0.00 55.06 57.06 1eic s HIS 105 Cb 0.01 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1eic s HIS 105 CO 0.11 0.30 0.23 0.96 -0.85 0.00 0.00 174.74 175.48 1eic s ILE 106 N -0.76 5.17 -0.14 0.60 -4.36 -1.26 0.11 121.20 120.56 1eic s ILE 106 Ca 0.43 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.16 1eic s ILE 106 Cb -0.26 -3.61 0.02 0.00 1.25 0.00 0.00 42.46 39.87 1eic s ILE 106 CO 0.32 -0.02 -0.12 -0.63 0.24 0.00 0.00 174.94 174.73 1eic s ILE 107 N -1.65 1.39 0.14 8.37 1.09 -0.51 -1.11 121.20 128.91 1eic s ILE 107 Ca 0.34 -0.52 0.07 0.00 -1.10 0.00 0.00 60.65 59.44 1eic s ILE 107 Cb -0.12 -1.33 -0.04 0.00 -1.06 0.00 0.00 42.46 39.91 1eic s ILE 107 CO 0.27 0.42 -0.16 0.68 -0.10 0.00 0.00 174.94 176.06 1eic s VAL 108 N 1.56 1.54 -0.11 2.92 -7.23 -0.47 0.76 120.40 119.36 1eic s VAL 108 Ca 0.05 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1eic s VAL 108 Cb -0.13 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1eic s VAL 108 CO -0.10 -0.37 0.22 0.00 -0.31 0.00 0.00 175.10 174.54 1eic s ALA 109 N -2.08 3.78 0.18 1.32 0.00 -0.03 -0.50 121.76 124.43 1eic s ALA 109 Ca 0.12 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 51.66 1eic s ALA 109 Cb -0.05 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1eic s ALA 109 CO 0.04 0.46 -0.25 0.00 0.00 0.00 0.00 175.76 176.02 1eic s GLU 111 N -2.50 1.00 0.22 0.00 2.12 -0.47 -4.89 118.70 114.18 1eic s GLU 111 Ca 0.19 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1eic s GLU 111 Cb -0.08 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1eic s GLU 111 CO 0.09 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 1eic n GLY 112 N -0.08 -2.71 2.61 -1.50 0.00 -1.26 -2.44 105.19 99.81 1eic n GLY 112 Ca -0.13 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1eic n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1eic s ASN 113 N -2.32 2.52 0.73 1.61 3.04 -1.26 -2.10 114.94 117.15 1eic s ASN 113 Ca 0.00 -0.74 -0.16 0.00 0.04 0.00 0.00 52.86 52.01 1eic s ASN 113 Cb 0.00 -0.19 0.03 0.00 -1.54 0.00 0.00 41.25 39.55 1eic s ASN 113 CO 0.00 -0.37 1.15 -0.81 -3.04 0.00 0.00 177.10 174.03 1eic n PRO 114 N 5.28 0.59 -2.64 0.43 -0.04 -1.26 -5.08 135.00 132.27 1eic n PRO 114 Ca -0.07 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1eic n PRO 114 Cb 0.47 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1eic n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1eic s TYR 115 N -1.78 2.40 0.28 0.54 5.04 -0.89 -4.86 117.35 118.07 1eic s TYR 115 Ca 0.76 -0.21 0.05 0.00 -2.44 0.00 0.00 57.07 55.24 1eic s TYR 115 Cb -0.34 -4.53 -0.06 0.00 0.35 0.00 0.00 41.96 37.39 1eic s TYR 115 CO 0.47 -1.95 -0.02 0.14 -1.34 0.00 0.00 175.55 172.85 1eic s VAL 116 N 5.22 1.42 0.26 3.14 -7.23 -1.02 -4.82 120.40 117.37 1eic s VAL 116 Ca 0.31 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1eic s VAL 116 Cb -0.11 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.24 1eic s VAL 116 CO 0.13 -0.25 1.50 -2.84 -0.31 0.00 0.00 175.10 173.33 1eic s PRO 117 N -3.79 4.21 0.00 4.82 0.02 -1.26 -1.37 135.00 137.64 1eic s PRO 117 Ca 0.30 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1eic s PRO 117 Cb 0.05 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1eic s PRO 117 CO 0.12 -0.50 0.03 1.33 -0.33 0.00 0.00 177.00 177.65 1eic n VAL 118 N 2.32 0.00 -3.65 3.83 0.24 0.58 -4.42 118.33 117.22 1eic n VAL 118 Ca 0.07 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 1eic n VAL 118 Cb 0.39 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 1eic n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1eic s HIS 119 N -0.50 -0.49 -0.38 6.34 3.76 -1.14 -4.69 115.29 118.17 1eic s HIS 119 Ca 0.00 1.00 -0.14 0.00 -0.15 0.00 0.00 55.06 55.77 1eic s HIS 119 Cb 0.00 0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.93 1eic s HIS 119 CO 0.00 -0.42 0.29 0.00 -0.85 0.00 0.00 174.74 173.75 1eic s ALA 120 N -0.67 3.49 -0.73 -1.40 0.00 -1.26 -0.85 121.76 120.33 1eic s ALA 120 Ca -0.08 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1eic s ALA 120 Cb -0.03 -2.81 0.37 0.00 0.00 0.00 0.00 23.12 20.65 1eic s ALA 120 CO 0.05 -1.26 1.69 -3.47 0.00 0.00 0.00 175.76 172.77 1eic n ASP 121 N 5.17 6.55 0.00 0.00 2.03 0.23 -4.96 116.55 125.56 1eic n ASP 121 Ca -0.11 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.41 1eic n ASP 121 Cb 0.48 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1eic n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1eic n ALA 122 N -0.46 0.00 -3.51 -1.67 0.00 -1.24 -4.57 120.51 109.06 1eic n ALA 122 Ca 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 1eic n ALA 122 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1eic n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1eic s SER 123 N -4.00 -0.63 0.00 0.00 0.01 -1.26 -1.42 113.70 106.41 1eic s SER 123 Ca 0.00 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.13 1eic s SER 123 Cb 0.00 0.75 0.03 0.00 0.21 0.00 0.00 66.02 67.01 1eic s SER 123 CO 0.00 -0.49 0.62 1.33 0.41 0.00 0.00 173.24 175.11