#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nui s GLU 2 N 0.00 4.72 0.74 1.64 2.12 -1.26 -5.03 118.70 121.64 2nui s GLU 2 Ca 0.00 1.59 -0.12 0.00 0.36 0.00 0.00 54.97 56.80 2nui s GLU 2 Cb 0.00 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.27 2nui s GLU 2 CO 0.00 0.35 1.11 0.95 -0.54 0.00 0.00 175.26 177.13 2nui s THR 3 N -1.24 3.15 0.24 -1.70 -4.23 -1.26 -4.83 115.64 105.78 2nui s THR 3 Ca 0.44 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 2nui s THR 3 Cb -0.27 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 70.89 2nui s THR 3 CO 0.34 -0.43 1.89 0.00 -0.54 0.00 0.00 174.62 175.89 2nui h ALA 4 N -0.73 1.22 -0.60 3.99 0.00 -1.95 -0.11 119.26 121.09 2nui h ALA 4 Ca -0.45 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2nui h ALA 4 Cb 1.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2nui h ALA 4 CO 0.51 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 180.40 2nui h ALA 5 N 1.32 0.82 -0.31 0.00 0.00 -1.89 -1.55 119.26 117.65 2nui h ALA 5 Ca 0.34 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2nui h ALA 5 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2nui h ALA 5 CO -0.06 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.54 2nui h ALA 6 N 0.98 0.86 -0.52 0.00 0.00 -1.79 -1.82 119.26 116.97 2nui h ALA 6 Ca 0.17 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2nui h ALA 6 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2nui h ALA 6 CO 0.04 0.63 -0.06 -0.22 0.00 0.00 0.00 179.25 179.64 2nui h LYS 7 N 0.57 0.94 -0.55 0.00 3.64 -0.80 -1.11 116.57 119.26 2nui h LYS 7 Ca 0.06 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 2nui h LYS 7 Cb 0.82 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2nui h LYS 7 CO 0.07 0.97 0.28 0.35 -2.27 0.00 0.00 179.45 178.84 2nui h PHE 8 N 0.85 0.77 -0.06 1.91 3.04 -1.01 0.10 116.94 122.54 2nui h PHE 8 Ca 0.15 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.08 2nui h PHE 8 Cb 0.59 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 2nui h PHE 8 CO 0.04 0.59 -0.02 0.93 -2.02 0.00 0.00 178.31 177.82 2nui h GLU 9 N 0.73 -0.00 -0.62 1.11 5.08 -1.01 0.11 114.58 119.98 2nui h GLU 9 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2nui h GLU 9 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2nui h GLU 9 CO -0.03 -0.00 0.31 -0.09 -1.00 0.00 0.00 179.01 178.20 2nui h ARG 10 N -0.00 0.89 0.00 2.33 2.43 -0.91 -1.45 114.38 117.66 2nui h ARG 10 Ca 0.03 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 2nui h ARG 10 Cb 0.05 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2nui h ARG 10 CO -0.06 0.70 -0.62 1.96 -1.51 0.00 0.00 179.97 180.44 2nui h GLN 11 N 0.85 0.00 0.00 0.20 4.20 -0.82 -3.41 115.11 116.13 2nui h GLN 11 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2nui h GLN 11 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2nui h GLN 11 CO -0.03 0.62 0.00 0.72 -0.67 0.00 0.00 178.83 179.47 2nui n HIS 12 N -3.36 0.00 -4.11 2.96 8.25 0.37 -4.61 115.22 114.73 2nui n HIS 12 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 2nui n HIS 12 Cb 0.74 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.74 2nui n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2nui s MET 13 N -0.27 3.88 -0.43 -0.41 -1.94 -0.56 -0.10 119.30 119.48 2nui s MET 13 Ca 0.00 -0.40 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 2nui s MET 13 Cb 0.00 -3.13 0.17 0.00 2.01 0.00 0.00 34.83 33.88 2nui s MET 13 CO 0.00 0.25 0.40 -3.47 -0.01 0.00 0.00 175.02 172.20 2nui n ASP 14 N 3.56 -0.93 -0.01 3.03 2.03 0.05 -4.83 116.55 119.45 2nui n ASP 14 Ca -0.17 -2.46 0.15 0.00 0.52 0.00 0.00 54.79 52.84 2nui n ASP 14 Cb 0.52 -0.21 0.83 0.00 -0.72 0.00 0.00 41.12 41.54 2nui n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2nui n SER 15 N 2.83 0.04 0.20 1.67 7.64 -1.26 -3.93 113.62 120.82 2nui n SER 15 Ca 0.28 -0.54 0.14 0.00 1.01 0.00 0.00 58.87 59.76 2nui n SER 15 Cb 0.49 -0.15 0.39 0.00 -1.01 0.00 0.00 64.21 63.93 2nui n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2nui h SER 16 N 0.05 0.00 -5.16 6.43 4.64 -1.92 -3.45 113.55 114.13 2nui h SER 16 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2nui h SER 16 Cb 0.17 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.10 2nui h SER 16 CO 0.00 0.00 -0.63 0.42 -0.87 0.00 0.00 176.83 175.75 2nui s THR 17 N -3.32 0.18 -0.35 2.95 -4.23 -1.26 -5.05 115.64 104.57 2nui s THR 17 Ca 0.06 -1.48 0.25 0.00 -1.18 0.00 0.00 61.69 59.34 2nui s THR 17 Cb 0.08 -1.19 0.35 0.00 1.34 0.00 0.00 72.50 73.07 2nui s THR 17 CO 0.59 -0.82 1.69 0.77 -0.54 0.00 0.00 174.62 176.31 2nui h SER 18 N 3.44 0.00 -4.23 3.99 4.64 -1.87 -3.44 113.55 116.08 2nui h SER 18 Ca -0.33 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 2nui h SER 18 Cb 1.16 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.05 2nui h SER 18 CO 0.58 0.00 0.60 0.00 -0.87 0.00 0.00 176.83 177.15 2nui s ALA 19 N -3.30 -1.94 0.54 5.18 0.00 -1.26 -4.82 121.76 116.17 2nui s ALA 19 Ca 0.06 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 2nui s ALA 19 Cb 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2nui s ALA 19 CO 0.64 -0.47 1.33 0.00 0.00 0.00 0.00 175.76 177.26 2nui n ALA 20 N 0.28 1.48 -0.86 0.00 0.00 -1.26 -4.93 120.51 115.22 2nui n ALA 20 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.52 2nui n ALA 20 Cb 0.59 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 17.74 2nui n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nui n SER 21 N -0.92 1.28 -3.66 0.00 7.64 -1.26 -5.02 113.62 111.69 2nui n SER 21 Ca 0.10 -2.05 -0.15 0.00 1.01 0.00 0.00 58.87 57.79 2nui n SER 21 Cb 0.44 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 2nui n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2nui s SER 22 N -1.26 -0.54 0.63 6.43 0.15 -1.26 -5.01 113.70 112.84 2nui s SER 22 Ca 0.08 0.86 0.42 0.00 0.70 0.00 0.00 55.95 58.01 2nui s SER 22 Cb 0.07 0.86 2.28 0.00 -1.71 0.00 0.00 66.02 67.53 2nui s SER 22 CO 0.01 -0.34 2.29 0.77 1.20 0.00 0.00 173.24 177.17 2nui h SER 23 N 4.47 0.00 -0.02 5.45 4.64 -1.97 -1.77 113.55 124.36 2nui h SER 23 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2nui h SER 23 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2nui h SER 23 CO 0.25 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.80 2nui n ASN 24 N -2.99 1.37 -0.12 4.97 3.02 -1.26 -4.39 115.26 115.86 2nui n ASN 24 Ca -0.03 -1.46 -0.05 0.00 -0.03 0.00 0.00 54.58 53.02 2nui n ASN 24 Cb 0.07 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2nui n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2nui h TYR 25 N 2.14 -0.08 -0.38 3.10 5.03 -1.71 -1.74 116.97 123.34 2nui h TYR 25 Ca 0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 2nui h TYR 25 Cb 0.46 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 2nui h TYR 25 CO 0.00 -0.11 -0.02 0.00 -1.32 0.00 0.00 178.16 176.72 2nui h ASN 27 N 0.50 0.24 -0.27 0.00 2.35 -1.73 0.12 115.58 116.78 2nui h ASN 27 Ca 0.11 0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2nui h ASN 27 Cb 0.50 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2nui h ASN 27 CO 0.02 0.13 -0.25 1.56 -1.65 0.00 0.00 177.43 177.25 2nui h GLN 28 N 0.42 0.64 -0.02 0.81 4.20 -0.93 -2.96 115.11 117.27 2nui h GLN 28 Ca 0.33 -0.33 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 2nui h GLN 28 Cb 0.43 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.23 2nui h GLN 28 CO -0.33 0.93 -0.98 0.52 -0.67 0.00 0.00 178.83 178.30 2nui h MET 29 N 0.37 0.64 -0.92 1.46 2.86 -0.49 -0.46 114.93 118.40 2nui h MET 29 Ca 0.05 -0.67 0.01 0.00 -2.06 0.00 0.00 59.70 57.03 2nui h MET 29 Cb 0.81 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.60 2nui h MET 29 CO 0.06 1.26 0.61 0.52 1.06 0.00 0.00 176.91 180.43 2nui h MET 30 N 0.38 1.21 -0.02 1.72 2.86 -0.87 -0.53 114.93 119.67 2nui h MET 30 Ca -0.11 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2nui h MET 30 Cb 1.63 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 2nui h MET 30 CO 0.19 0.80 -0.01 -0.22 1.06 0.00 0.00 176.91 178.72 2nui h LYS 31 N 1.24 0.05 0.00 1.72 3.64 -1.43 0.20 116.57 122.00 2nui h LYS 31 Ca 0.34 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2nui h LYS 31 Cb -0.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2nui h LYS 31 CO -0.07 0.48 -0.39 0.66 -2.27 0.00 0.00 179.45 177.85 2nui h SER 32 N -0.38 0.00 -0.22 4.20 4.64 -0.84 -1.37 113.55 119.58 2nui h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nui h SER 32 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2nui h SER 32 CO 0.00 0.39 0.00 0.54 -0.87 0.00 0.00 176.83 176.90 2nui n ARG 33 N -3.82 1.60 -3.41 4.77 5.12 -0.23 -4.91 116.66 115.79 2nui n ARG 33 Ca -0.01 -0.93 -0.19 0.00 -1.93 0.00 0.00 57.85 54.78 2nui n ARG 33 Cb 0.46 -1.26 0.07 0.00 -1.16 0.00 0.00 32.46 30.57 2nui n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2nui n ASN 34 N 0.22 -4.91 -1.12 0.55 3.02 -0.52 -4.88 115.26 107.63 2nui n ASN 34 Ca 0.11 -0.49 0.11 0.00 -0.03 0.00 0.00 54.58 54.28 2nui n ASN 34 Cb 0.24 -4.50 0.22 0.00 -0.61 0.00 0.00 39.78 35.14 2nui n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2nui n LEU 35 N -4.28 3.46 -0.44 3.41 4.77 0.05 -4.33 117.00 119.64 2nui n LEU 35 Ca -0.06 -1.64 0.07 0.00 -0.03 0.00 0.00 56.01 54.35 2nui n LEU 35 Cb 0.58 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.51 2nui n LEU 35 CO 0.56 0.78 0.41 0.35 -1.33 0.00 0.00 177.39 178.16 2nui n THR 36 N 1.40 1.57 0.33 -5.08 -2.24 -1.23 -2.06 114.28 106.97 2nui n THR 36 Ca 0.19 -2.18 -0.13 0.00 -2.27 0.00 0.00 64.05 59.66 2nui n THR 36 Cb 0.58 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 2nui n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2nui h LYS 37 N 0.43 -0.82 0.00 -0.78 1.79 -1.92 -3.37 116.57 111.89 2nui h LYS 37 Ca -0.02 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2nui h LYS 37 Cb 1.14 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2nui h LYS 37 CO 0.01 -0.55 -0.80 -0.25 -1.08 0.00 0.00 179.45 176.79 2nui n ASP 38 N -4.50 1.17 -3.58 0.86 8.00 -1.26 -5.01 116.55 112.23 2nui n ASP 38 Ca -0.11 -0.50 -0.14 0.00 0.71 0.00 0.00 54.79 54.76 2nui n ASP 38 Cb 0.34 1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 42.53 2nui n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2nui s ARG 39 N -2.19 1.02 -0.24 -1.24 3.52 -1.26 -5.06 118.95 113.51 2nui s ARG 39 Ca 0.01 -0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 2nui s ARG 39 Cb 0.07 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 2nui s ARG 39 CO 0.42 -0.37 0.95 0.00 -0.81 0.00 0.00 175.30 175.49 2nui s LYS 41 N 3.06 4.16 0.16 0.00 2.20 -0.87 -4.88 119.74 123.57 2nui s LYS 41 Ca 0.40 2.45 -0.22 0.00 -0.36 0.00 0.00 55.97 58.24 2nui s LYS 41 Cb -0.15 -4.04 0.06 0.00 -1.51 0.00 0.00 37.83 32.18 2nui s LYS 41 CO 0.07 -0.90 1.62 -1.35 -0.36 0.00 0.00 175.35 174.43 2nui h PRO 42 N 10.00 -0.22 -3.90 4.03 0.11 -1.94 -3.43 132.00 136.65 2nui h PRO 42 Ca -0.45 0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.34 2nui h PRO 42 Cb 1.21 0.05 -0.32 0.00 0.11 0.00 0.00 31.00 32.06 2nui h PRO 42 CO 0.94 -0.15 -0.75 0.08 -0.21 0.00 0.00 178.00 177.92 2nui s VAL 43 N -6.06 0.25 -0.28 3.15 1.01 -1.26 -0.17 120.40 117.03 2nui s VAL 43 Ca -0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 2nui s VAL 43 Cb 0.13 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.32 2nui s VAL 43 CO 0.68 0.13 0.77 0.21 0.00 0.00 0.00 175.10 176.89 2nui s ASN 44 N 0.59 -0.82 -0.11 3.32 2.47 -0.06 -5.01 114.94 115.33 2nui s ASN 44 Ca -0.06 1.33 -0.02 0.00 0.42 0.00 0.00 52.86 54.54 2nui s ASN 44 Cb -0.09 1.34 -0.03 0.00 -1.45 0.00 0.00 41.25 41.02 2nui s ASN 44 CO -0.01 -0.21 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.23 2nui s THR 45 N 1.42 3.95 -0.08 -5.21 2.01 -1.26 -0.59 115.64 115.87 2nui s THR 45 Ca -0.08 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2nui s THR 45 Cb -0.05 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2nui s THR 45 CO -0.17 0.56 0.01 -0.36 -0.69 0.00 0.00 174.62 173.98 2nui s PHE 46 N -0.40 3.18 -0.18 4.92 0.40 0.16 -4.34 117.98 121.73 2nui s PHE 46 Ca 0.06 0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.56 2nui s PHE 46 Cb -0.12 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2nui s PHE 46 CO 0.02 0.48 -0.02 0.08 0.70 0.00 0.00 175.22 176.49 2nui s VAL 47 N -0.91 3.88 -1.06 -0.44 1.01 0.85 -0.48 120.40 123.25 2nui s VAL 47 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2nui s VAL 47 Cb -0.11 -2.73 0.31 0.00 0.00 0.00 0.00 36.38 33.85 2nui s VAL 47 CO 0.03 0.45 1.65 1.41 0.00 0.00 0.00 175.10 178.65 2nui n HIS 48 N 3.99 2.47 -4.11 5.22 8.25 0.88 -0.77 115.22 131.15 2nui n HIS 48 Ca -0.17 -2.56 -0.10 0.00 -0.26 0.00 0.00 57.72 54.62 2nui n HIS 48 Cb 0.52 -1.23 -0.09 0.00 1.12 0.00 0.00 29.99 30.31 2nui n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nui s GLU 49 N -3.49 1.09 0.71 -0.41 0.41 -1.26 -4.43 118.70 111.32 2nui s GLU 49 Ca 0.35 -1.42 -0.16 0.00 -0.41 0.00 0.00 54.97 53.33 2nui s GLU 49 Cb 0.11 0.29 0.03 0.00 -1.78 0.00 0.00 34.13 32.78 2nui s GLU 49 CO -0.00 -0.35 1.21 -1.54 -0.49 0.00 0.00 175.26 174.09 2nui s SER 50 N -3.06 4.36 0.25 -0.19 1.04 -1.26 -4.16 113.70 110.69 2nui s SER 50 Ca 0.26 2.38 -0.04 0.00 0.48 0.00 0.00 55.95 59.03 2nui s SER 50 Cb 0.06 -2.59 0.34 0.00 0.10 0.00 0.00 66.02 63.93 2nui s SER 50 CO 0.04 -2.15 1.88 0.25 0.98 0.00 0.00 173.24 174.25 2nui h LEU 51 N -0.08 1.01 -0.80 2.42 5.85 -1.97 -1.80 115.31 119.95 2nui h LEU 51 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2nui h LEU 51 Cb 1.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2nui h LEU 51 CO 0.51 0.67 0.51 0.00 -0.34 0.00 0.00 178.44 179.79 2nui h ALA 52 N 1.42 1.02 -0.61 1.25 0.00 -1.99 0.16 119.26 120.51 2nui h ALA 52 Ca 0.40 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2nui h ALA 52 Cb 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2nui h ALA 52 CO -0.15 0.46 0.21 -0.44 0.00 0.00 0.00 179.25 179.33 2nui h ASP 53 N 1.10 0.85 -0.17 0.00 5.19 -1.71 -0.37 116.42 121.30 2nui h ASP 53 Ca 0.29 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.45 2nui h ASP 53 Cb -0.09 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.20 2nui h ASP 53 CO -0.06 0.79 -0.37 0.58 -3.12 0.00 0.00 179.24 177.05 2nui h VAL 54 N 0.89 1.34 -0.68 -1.35 2.07 -0.76 -3.01 116.25 114.75 2nui h VAL 54 Ca 0.20 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 66.14 2nui h VAL 54 Cb 0.23 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2nui h VAL 54 CO -0.01 0.50 0.45 1.56 0.02 0.00 0.00 177.57 180.08 2nui h GLN 55 N 0.20 0.77 0.00 1.57 4.20 -0.51 -1.65 115.11 119.68 2nui h GLN 55 Ca 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2nui h GLN 55 Cb 0.98 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 2nui h GLN 55 CO 0.08 0.51 -0.01 0.00 -0.67 0.00 0.00 178.83 178.73 2nui h ALA 56 N 1.61 1.14 0.00 3.87 0.00 -0.92 -2.19 119.26 122.76 2nui h ALA 56 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2nui h ALA 56 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2nui h ALA 56 CO -0.08 0.02 -0.00 0.28 0.00 0.00 0.00 179.25 179.46 2nui h VAL 57 N 0.00 0.77 0.00 0.00 2.07 -1.29 -1.73 116.25 116.07 2nui h VAL 57 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2nui h VAL 57 Cb 0.10 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2nui h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2nui n SER 59 N -1.41 2.64 0.00 0.00 3.41 -0.65 -5.00 113.62 112.61 2nui n SER 59 Ca 0.02 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 2nui n SER 59 Cb 0.05 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2nui n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nui n GLN 60 N -1.14 2.20 -2.71 4.33 6.02 -0.00 -4.98 117.38 121.10 2nui n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 2nui n GLN 60 Cb 0.66 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 2nui n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2nui s LYS 61 N 4.08 4.09 -0.07 -1.09 2.47 -1.08 -4.86 119.74 123.28 2nui s LYS 61 Ca 0.00 1.03 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 2nui s LYS 61 Cb 0.00 -3.71 -0.02 0.00 -1.46 0.00 0.00 37.83 32.63 2nui s LYS 61 CO 0.00 -0.79 1.10 1.21 0.16 0.00 0.00 175.35 177.03 2nui s ASN 62 N 1.55 7.15 0.11 1.43 2.47 -1.26 -0.57 114.94 125.82 2nui s ASN 62 Ca 0.42 1.69 0.01 0.00 0.42 0.00 0.00 52.86 55.40 2nui s ASN 62 Cb -0.13 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 2nui s ASN 62 CO 0.13 -0.51 -0.04 0.68 -3.72 0.00 0.00 177.10 173.65 2nui s VAL 63 N 2.03 0.56 0.43 -5.21 -7.23 0.35 -4.95 120.40 106.38 2nui s VAL 63 Ca 0.52 -1.92 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 2nui s VAL 63 Cb -0.22 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 2nui s VAL 63 CO 0.21 -0.78 1.24 0.00 -0.31 0.00 0.00 175.10 175.46 2nui s ALA 64 N -3.72 3.11 0.67 1.32 0.00 -1.26 -2.74 121.76 119.15 2nui s ALA 64 Ca 0.15 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2nui s ALA 64 Cb 0.06 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2nui s ALA 64 CO -0.03 -0.76 1.06 0.00 0.00 0.00 0.00 175.76 176.03 2nui h LYS 66 N -0.55 0.47 -0.03 0.00 1.57 -1.93 0.53 116.57 116.64 2nui h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2nui h LYS 66 Cb 1.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2nui h LYS 66 CO 0.62 0.31 0.00 0.27 -0.57 0.00 0.00 179.45 180.08 2nui n ASN 67 N -4.71 0.23 0.00 0.86 2.04 -1.26 -4.90 115.26 107.52 2nui n ASN 67 Ca 0.25 -1.53 0.00 0.00 -0.44 0.00 0.00 54.58 52.86 2nui n ASN 67 Cb 0.80 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 38.04 2nui n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2nui n GLY 68 N 0.80 2.02 3.74 4.83 0.00 0.18 -5.04 105.19 111.72 2nui n GLY 68 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2nui n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nui s GLN 69 N -0.37 1.88 -0.24 1.61 -0.21 -1.26 -4.69 119.66 116.37 2nui s GLN 69 Ca 0.00 1.26 0.10 0.00 0.02 0.00 0.00 55.36 56.75 2nui s GLN 69 Cb 0.00 -1.85 0.46 0.00 1.00 0.00 0.00 33.01 32.62 2nui s GLN 69 CO 0.00 -1.94 1.33 0.25 -2.12 0.00 0.00 175.29 172.81 2nui n THR 70 N -3.74 2.36 -1.33 -0.19 -2.24 -1.26 -0.43 114.28 107.44 2nui n THR 70 Ca 0.10 -2.98 -0.17 0.00 -2.27 0.00 0.00 64.05 58.73 2nui n THR 70 Cb 0.53 -0.28 0.18 0.00 -2.10 0.00 0.00 70.33 68.66 2nui n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2nui n ASN 71 N -1.12 3.44 -4.90 3.42 6.94 -1.26 -4.75 115.26 117.03 2nui n ASN 71 Ca 0.25 -3.69 -0.26 0.00 -0.02 0.00 0.00 54.58 50.86 2nui n ASN 71 Cb 0.85 -0.76 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 2nui n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nui s TYR 73 N -1.73 -0.05 -0.17 0.00 1.51 0.34 -0.50 117.35 116.75 2nui s TYR 73 Ca 0.33 0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.52 2nui s TYR 73 Cb -0.11 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.66 2nui s TYR 73 CO 0.27 -0.06 0.00 -1.14 -1.11 0.00 0.00 175.55 173.51 2nui s GLN 74 N 0.41 3.76 0.35 -0.62 0.74 0.27 -1.29 119.66 123.28 2nui s GLN 74 Ca -0.03 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.63 2nui s GLN 74 Cb -0.05 -3.04 -0.11 0.00 1.10 0.00 0.00 33.01 30.92 2nui s GLN 74 CO -0.01 0.22 1.45 -1.54 -0.55 0.00 0.00 175.29 174.85 2nui s SER 75 N 0.46 6.48 0.30 6.67 1.04 0.21 -2.63 113.70 126.23 2nui s SER 75 Ca -0.01 2.92 0.02 0.00 0.48 0.00 0.00 55.95 59.36 2nui s SER 75 Cb -0.14 -2.66 0.48 0.00 0.10 0.00 0.00 66.02 63.80 2nui s SER 75 CO 0.02 -0.78 1.80 1.88 0.98 0.00 0.00 173.24 177.14 2nui h TYR 76 N 3.45 0.62 -2.21 5.02 0.05 -1.95 -3.43 116.97 118.52 2nui h TYR 76 Ca -0.50 -0.09 -0.52 0.00 0.05 0.00 0.00 58.73 57.68 2nui h TYR 76 Cb 1.23 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.75 2nui h TYR 76 CO 0.55 0.65 -0.55 0.45 -1.05 0.00 0.00 178.16 178.20 2nui s SER 77 N -6.74 5.32 0.72 3.88 0.15 -1.26 -5.07 113.70 110.71 2nui s SER 77 Ca -0.08 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 2nui s SER 77 Cb 0.15 -1.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2nui s SER 77 CO 0.78 -0.03 1.10 0.42 1.20 0.00 0.00 173.24 176.71 2nui s THR 78 N -2.17 3.35 0.07 6.45 -4.23 -1.26 -4.40 115.64 113.45 2nui s THR 78 Ca 0.32 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.39 2nui s THR 78 Cb -0.08 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 2nui s THR 78 CO 0.24 -0.50 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.66 2nui s MET 79 N -4.59 0.78 0.01 3.99 -1.94 0.63 -4.84 119.30 113.34 2nui s MET 79 Ca 0.63 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 53.32 2nui s MET 79 Cb -0.18 -0.64 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 2nui s MET 79 CO 0.50 0.13 1.31 0.45 -0.01 0.00 0.00 175.02 177.40 2nui s SER 80 N -1.94 6.94 0.08 3.03 0.15 -1.26 -1.05 113.70 119.66 2nui s SER 80 Ca -0.01 2.05 0.02 0.00 0.70 0.00 0.00 55.95 58.71 2nui s SER 80 Cb -0.08 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2nui s SER 80 CO 0.01 -0.63 -0.07 0.27 1.20 0.00 0.00 173.24 174.03 2nui s ILE 81 N 1.91 0.68 -0.13 6.45 -5.25 0.05 -0.08 121.20 124.83 2nui s ILE 81 Ca 0.61 -1.70 0.00 0.00 -0.99 0.00 0.00 60.65 58.57 2nui s ILE 81 Cb -0.30 -1.39 0.02 0.00 2.95 0.00 0.00 42.46 43.74 2nui s ILE 81 CO 0.26 -0.73 -0.11 -0.89 -1.79 0.00 0.00 174.94 171.69 2nui s THR 82 N -2.97 1.29 -0.08 8.37 2.01 0.36 -1.07 115.64 123.55 2nui s THR 82 Ca 0.06 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 2nui s THR 82 Cb 0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2nui s THR 82 CO -0.03 0.41 0.59 0.00 -0.69 0.00 0.00 174.62 174.90 2nui s ALA 83 N 1.54 3.41 -0.14 7.40 0.00 0.43 -0.66 121.76 133.74 2nui s ALA 83 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2nui s ALA 83 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 2nui s ALA 83 CO -0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 175.76 175.55 2nui s ARG 85 N 0.36 0.06 0.37 0.00 3.52 -0.85 -0.88 118.95 121.53 2nui s ARG 85 Ca -0.09 0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.41 2nui s ARG 85 Cb -0.15 -0.07 -0.11 0.00 -1.56 0.00 0.00 34.95 33.06 2nui s ARG 85 CO 0.05 -0.08 1.44 -1.21 -0.81 0.00 0.00 175.30 174.70 2nui s GLU 86 N 0.50 4.16 0.82 5.12 2.02 0.76 -0.40 118.70 131.67 2nui s GLU 86 Ca -0.04 2.49 -0.11 0.00 0.02 0.00 0.00 54.97 57.33 2nui s GLU 86 Cb -0.05 -2.99 0.09 0.00 0.10 0.00 0.00 34.13 31.27 2nui s GLU 86 CO -0.02 -0.45 1.11 0.95 0.02 0.00 0.00 175.26 176.87 2nui s THR 87 N -1.13 2.86 0.55 3.63 -4.23 -0.53 -4.78 115.64 112.01 2nui s THR 87 Ca 0.52 0.29 0.24 0.00 -1.18 0.00 0.00 61.69 61.55 2nui s THR 87 Cb -0.45 -2.61 0.34 0.00 1.34 0.00 0.00 72.50 71.11 2nui s THR 87 CO 0.61 -0.36 2.12 1.23 -0.54 0.00 0.00 174.62 177.68 2nui h GLY 88 N -1.32 0.00 0.81 3.99 0.00 -1.93 -2.50 103.07 102.12 2nui h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2nui h GLY 88 CO 0.48 0.00 -1.09 -1.14 0.00 0.00 0.00 176.54 174.79 2nui n SER 89 N -4.20 0.68 -4.55 0.19 3.41 -1.26 -4.99 113.62 102.90 2nui n SER 89 Ca 0.01 0.15 -0.50 0.00 -0.26 0.00 0.00 58.87 58.27 2nui n SER 89 Cb 0.27 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.85 2nui n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2nui n SER 90 N -2.41 0.86 -3.68 4.04 2.88 -0.94 -4.97 113.62 109.40 2nui n SER 90 Ca 0.00 1.14 -0.27 0.00 -1.33 0.00 0.00 58.87 58.41 2nui n SER 90 Cb 0.52 -1.14 -0.17 0.00 -0.75 0.00 0.00 64.21 62.67 2nui n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2nui s LYS 91 N -0.40 0.41 0.25 -1.46 2.20 -1.21 -4.93 119.74 114.59 2nui s LYS 91 Ca 0.75 -0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 55.72 2nui s LYS 91 Cb -0.92 -1.95 -0.14 0.00 -1.51 0.00 0.00 37.83 33.31 2nui s LYS 91 CO 0.53 -0.69 1.26 0.98 -0.36 0.00 0.00 175.35 177.08 2nui n TYR 92 N 5.14 1.82 0.66 4.03 9.36 -1.26 0.02 117.16 136.93 2nui n TYR 92 Ca -0.08 0.56 0.07 0.00 3.32 0.00 0.00 57.90 61.77 2nui n TYR 92 Cb 0.47 -2.37 0.19 0.00 -0.63 0.00 0.00 39.34 36.99 2nui n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2nui n PRO 93 N 1.51 1.98 -2.91 2.98 -0.04 -1.26 -4.96 135.00 132.29 2nui n PRO 93 Ca 0.11 -1.51 -0.43 0.00 -0.04 0.00 0.00 63.50 61.63 2nui n PRO 93 Cb 0.31 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2nui n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nui n ASN 94 N 0.73 6.23 -4.76 3.54 5.03 0.10 -5.03 115.26 121.11 2nui n ASN 94 Ca 0.14 -3.37 -0.38 0.00 0.87 0.00 0.00 54.58 51.85 2nui n ASN 94 Cb 0.36 -1.30 0.02 0.00 -1.02 0.00 0.00 39.78 37.83 2nui n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nui s ALA 96 N -1.41 -0.12 0.01 0.00 0.00 -1.26 -4.94 121.76 114.05 2nui s ALA 96 Ca 0.67 0.42 0.05 0.00 0.00 0.00 0.00 51.96 53.11 2nui s ALA 96 Cb -0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2nui s ALA 96 CO 0.42 -0.11 -0.16 0.71 0.00 0.00 0.00 175.76 176.62 2nui s TYR 97 N 0.84 1.39 0.09 0.00 2.02 -1.26 -1.46 117.35 118.98 2nui s TYR 97 Ca -0.07 -0.31 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 2nui s TYR 97 Cb -0.09 -0.86 -0.07 0.00 -0.40 0.00 0.00 41.96 40.54 2nui s TYR 97 CO -0.03 0.02 0.74 0.21 -1.57 0.00 0.00 175.55 174.91 2nui s LYS 98 N -0.76 4.48 -0.23 -0.62 2.20 0.46 -4.58 119.74 120.70 2nui s LYS 98 Ca 0.05 1.05 -0.07 0.00 -0.36 0.00 0.00 55.97 56.64 2nui s LYS 98 Cb -0.07 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2nui s LYS 98 CO 0.00 0.44 0.05 0.99 -0.36 0.00 0.00 175.35 176.47 2nui s THR 99 N -0.60 4.29 -0.22 3.43 2.01 -1.26 -2.00 115.64 121.29 2nui s THR 99 Ca 0.36 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2nui s THR 99 Cb -0.21 -2.98 0.06 0.00 0.01 0.00 0.00 72.50 69.37 2nui s THR 99 CO 0.23 0.38 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.60 2nui s THR 100 N 1.27 1.44 0.10 -0.82 2.01 -0.26 -4.97 115.64 114.41 2nui s THR 100 Ca 0.04 -1.11 -0.21 0.00 0.31 0.00 0.00 61.69 60.72 2nui s THR 100 Cb -0.15 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 2nui s THR 100 CO 0.03 -0.07 0.63 -1.58 -0.69 0.00 0.00 174.62 172.94 2nui s GLN 101 N 1.44 4.30 0.23 4.92 2.00 -1.26 -0.43 119.66 130.87 2nui s GLN 101 Ca -0.05 0.85 -0.17 0.00 -2.00 0.00 0.00 55.36 54.00 2nui s GLN 101 Cb -0.18 -3.25 0.02 0.00 0.80 0.00 0.00 33.01 30.40 2nui s GLN 101 CO -0.07 0.62 0.56 0.00 -0.50 0.00 0.00 175.29 175.91 2nui s ALA 102 N -1.12 -0.78 -0.27 1.58 0.00 -0.23 -4.98 121.76 115.95 2nui s ALA 102 Ca 0.31 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2nui s ALA 102 Cb -0.21 0.92 0.07 0.00 0.00 0.00 0.00 23.12 23.91 2nui s ALA 102 CO 0.21 -0.88 -0.03 -0.80 0.00 0.00 0.00 175.76 174.26 2nui s ASN 103 N -2.93 4.21 0.09 0.00 -0.87 -1.26 -0.77 114.94 113.40 2nui s ASN 103 Ca 0.14 -1.48 -0.05 0.00 -1.57 0.00 0.00 52.86 49.89 2nui s ASN 103 Cb -0.02 -1.34 -0.02 0.00 -0.02 0.00 0.00 41.25 39.85 2nui s ASN 103 CO 0.04 -0.27 0.11 -0.54 -2.57 0.00 0.00 177.10 173.87 2nui s LYS 104 N 1.24 0.80 0.50 -0.60 -0.14 -0.21 -4.75 119.74 116.58 2nui s LYS 104 Ca -0.02 -1.11 -0.22 0.00 -1.36 0.00 0.00 55.97 53.26 2nui s LYS 104 Cb -0.19 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.19 2nui s LYS 104 CO -0.08 -0.23 1.21 -1.01 -0.76 0.00 0.00 175.35 174.48 2nui s HIS 105 N -3.91 2.69 0.16 3.18 3.76 0.94 -0.27 115.29 121.85 2nui s HIS 105 Ca 0.09 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.56 2nui s HIS 105 Cb 0.06 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 2nui s HIS 105 CO -0.08 -1.86 0.03 0.96 -0.85 0.00 0.00 174.74 172.94 2nui s ILE 106 N -1.52 3.93 -0.12 0.60 -4.36 -1.26 -0.35 121.20 118.12 2nui s ILE 106 Ca 0.67 -1.30 -0.00 0.00 -0.26 0.00 0.00 60.65 59.76 2nui s ILE 106 Cb -0.31 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.45 2nui s ILE 106 CO 0.37 -0.09 -0.10 -0.63 0.24 0.00 0.00 174.94 174.73 2nui s ILE 107 N -1.70 1.18 0.10 8.37 1.09 -0.04 -0.62 121.20 129.58 2nui s ILE 107 Ca 0.28 -0.39 0.08 0.00 -1.10 0.00 0.00 60.65 59.52 2nui s ILE 107 Cb -0.10 -1.16 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 2nui s ILE 107 CO 0.20 0.39 -0.22 0.68 -0.10 0.00 0.00 174.94 175.89 2nui s VAL 108 N 1.59 1.77 -0.02 2.92 -7.23 -0.41 -0.25 120.40 118.76 2nui s VAL 108 Ca 0.04 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 58.51 2nui s VAL 108 Cb -0.13 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2nui s VAL 108 CO -0.08 -0.03 0.41 0.00 -0.31 0.00 0.00 175.10 175.09 2nui s ALA 109 N -1.13 3.67 0.12 1.32 0.00 -0.04 -0.51 121.76 125.19 2nui s ALA 109 Ca 0.07 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.90 2nui s ALA 109 Cb -0.10 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2nui s ALA 109 CO 0.04 0.41 -0.25 0.00 0.00 0.00 0.00 175.76 175.97 2nui s GLU 111 N -1.96 1.17 0.00 0.00 -6.30 -0.38 -4.88 118.70 106.35 2nui s GLU 111 Ca 0.12 -0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.46 2nui s GLU 111 Cb -0.10 0.55 0.00 0.00 0.00 0.00 0.00 34.13 34.58 2nui s GLU 111 CO 0.05 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2nui n GLY 112 N 0.24 0.53 2.83 -1.50 0.00 -1.26 -2.21 105.19 103.82 2nui n GLY 112 Ca -0.18 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 2nui n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nui s ASN 113 N 0.00 3.57 0.73 1.61 3.04 -1.26 -2.33 114.94 120.29 2nui s ASN 113 Ca 0.00 -1.17 -0.14 0.00 0.04 0.00 0.00 52.86 51.60 2nui s ASN 113 Cb 0.00 -0.92 0.04 0.00 -1.54 0.00 0.00 41.25 38.83 2nui s ASN 113 CO 0.00 -0.30 1.14 -2.16 -3.04 0.00 0.00 177.10 172.74 2nui s PRO 114 N 1.59 2.31 -0.58 0.43 0.04 -1.26 -5.08 135.00 132.45 2nui s PRO 114 Ca -0.01 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.27 2nui s PRO 114 Cb -0.18 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2nui s PRO 114 CO -0.10 -1.64 0.92 -0.47 0.04 0.00 0.00 177.00 175.75 2nui s TYR 115 N -2.38 2.78 0.20 0.56 5.04 -0.99 -4.84 117.35 117.72 2nui s TYR 115 Ca 0.68 -0.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 2nui s TYR 115 Cb -0.23 -4.09 -0.05 0.00 0.35 0.00 0.00 41.96 37.95 2nui s TYR 115 CO 0.47 -1.41 -0.01 0.14 -1.34 0.00 0.00 175.55 173.40 2nui s VAL 116 N 3.88 0.88 0.23 3.14 -7.23 -0.94 -4.82 120.40 115.55 2nui s VAL 116 Ca 0.27 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 2nui s VAL 116 Cb -0.14 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 2nui s VAL 116 CO 0.16 -0.42 1.39 -2.84 -0.31 0.00 0.00 175.10 173.07 2nui s PRO 117 N -3.88 4.32 0.00 4.82 0.02 -1.26 -1.25 135.00 137.76 2nui s PRO 117 Ca 0.26 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2nui s PRO 117 Cb 0.06 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2nui s PRO 117 CO 0.06 -0.35 0.00 1.33 -0.33 0.00 0.00 177.00 177.71 2nui n VAL 118 N 2.36 0.00 -3.77 3.83 0.24 1.00 -4.43 118.33 117.56 2nui n VAL 118 Ca 0.06 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 2nui n VAL 118 Cb 0.41 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 2nui n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2nui s HIS 119 N -1.00 -0.27 -0.38 6.34 5.65 -1.08 -4.65 115.29 119.90 2nui s HIS 119 Ca 0.00 0.59 -0.18 0.00 0.25 0.00 0.00 55.06 55.73 2nui s HIS 119 Cb 0.00 0.10 0.00 0.00 -1.18 0.00 0.00 32.58 31.51 2nui s HIS 119 CO 0.00 -0.25 0.49 0.12 -0.65 0.00 0.00 174.74 174.46 2nui s PHE 120 N -0.42 3.16 -0.16 3.88 2.19 -1.26 -0.86 117.98 124.52 2nui s PHE 120 Ca -0.05 -0.01 -0.22 0.00 0.33 0.00 0.00 56.93 56.98 2nui s PHE 120 Cb -0.04 -2.94 -0.24 0.00 -1.31 0.00 0.00 43.02 38.50 2nui s PHE 120 CO 0.02 -0.61 0.48 0.22 1.83 0.00 0.00 175.22 177.16 2nui h ASP 121 N 8.58 0.12 -5.47 6.13 3.58 -0.97 -3.48 116.42 124.91 2nui h ASP 121 Ca -0.27 -0.75 0.29 0.00 0.42 0.00 0.00 57.03 56.71 2nui h ASP 121 Cb 1.12 -0.04 -0.12 0.00 1.72 0.00 0.00 39.33 42.01 2nui h ASP 121 CO 0.78 1.40 0.77 0.00 -2.88 0.00 0.00 179.24 179.31 2nui s ALA 122 N -2.36 -2.12 0.22 -0.78 0.00 -1.09 -4.96 121.76 110.67 2nui s ALA 122 Ca -0.23 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.56 2nui s ALA 122 Cb 0.03 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2nui s ALA 122 CO 0.67 -0.98 -0.05 -1.54 0.00 0.00 0.00 175.76 173.86 2nui s SER 123 N -2.85 4.39 0.00 0.00 1.04 -1.26 -0.87 113.70 114.15 2nui s SER 123 Ca 0.13 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2nui s SER 123 Cb 0.03 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2nui s SER 123 CO -0.03 0.06 0.12 0.55 0.98 0.00 0.00 173.24 174.92