#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d45 s LYS 4 N 0.00 2.66 -0.10 3.52 1.02 -1.26 -5.11 119.74 120.46 2d45 s LYS 4 Ca 0.00 -1.14 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 2d45 s LYS 4 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2d45 s LYS 4 CO 0.00 -0.62 0.02 0.99 -0.92 0.00 0.00 175.35 174.82 2d45 s THR 5 N 1.39 4.46 -0.13 2.17 2.01 -1.26 -5.13 115.64 119.16 2d45 s THR 5 Ca -0.02 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2d45 s THR 5 Cb -0.19 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2d45 s THR 5 CO 0.02 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.06 2d45 s TYR 6 N -0.69 2.74 0.37 4.92 2.02 -1.26 -5.13 117.35 120.32 2d45 s TYR 6 Ca 0.11 -0.83 0.07 0.00 -0.37 0.00 0.00 57.07 56.06 2d45 s TYR 6 Cb -0.12 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2d45 s TYR 6 CO 0.02 -0.32 0.48 -1.21 -1.57 0.00 0.00 175.55 172.95 2d45 s GLU 7 N 0.43 2.93 -0.29 -0.62 2.02 -1.26 -5.08 118.70 116.83 2d45 s GLU 7 Ca -0.12 -1.16 -0.06 0.00 0.02 0.00 0.00 54.97 53.64 2d45 s GLU 7 Cb -0.16 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.35 2d45 s GLU 7 CO 0.06 -0.07 0.07 -1.50 0.02 0.00 0.00 175.26 173.84 2d45 s ILE 8 N -2.27 3.92 0.50 -1.63 2.07 -1.26 -5.07 121.20 117.46 2d45 s ILE 8 Ca 0.48 -0.66 -0.23 0.00 -1.41 0.00 0.00 60.65 58.83 2d45 s ILE 8 Cb -0.09 -3.00 -0.07 0.00 0.13 0.00 0.00 42.46 39.44 2d45 s ILE 8 CO 0.31 0.12 1.38 -0.55 -1.91 0.00 0.00 174.94 174.29 2d45 s SER 9 N 1.50 5.59 0.55 4.50 0.15 -1.26 -4.76 113.70 119.97 2d45 s SER 9 Ca 0.03 2.82 0.23 0.00 0.70 0.00 0.00 55.95 59.73 2d45 s SER 9 Cb -0.17 -2.64 1.50 0.00 -1.71 0.00 0.00 66.02 63.00 2d45 s SER 9 CO 0.02 -1.36 2.14 0.77 1.20 0.00 0.00 173.24 176.01 2d45 h SER 10 N 1.89 0.00 -0.02 5.45 4.64 -1.99 0.69 113.55 124.21 2d45 h SER 10 Ca -0.51 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 2d45 h SER 10 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2d45 h SER 10 CO 0.59 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 176.24 2d45 h ALA 11 N 1.91 0.06 -0.85 5.18 0.00 -2.04 -3.24 119.26 120.29 2d45 h ALA 11 Ca 0.06 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2d45 h ALA 11 Cb 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2d45 h ALA 11 CO -0.00 0.14 0.52 0.93 0.00 0.00 0.00 179.25 180.84 2d45 h GLU 12 N -0.35 0.91 -1.31 0.00 5.08 -0.66 -2.23 114.58 116.02 2d45 h GLU 12 Ca -0.03 -0.05 0.47 0.00 -1.00 0.00 0.00 59.36 58.74 2d45 h GLU 12 Cb 1.02 -0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.92 2d45 h GLU 12 CO 0.06 0.60 0.82 -1.49 -1.00 0.00 0.00 179.01 178.00 2d45 h TRP 13 N 0.93 0.57 -0.60 4.33 4.06 0.13 0.75 115.95 126.12 2d45 h TRP 13 Ca 0.38 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.42 2d45 h TRP 13 Cb 0.20 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 28.17 2d45 h TRP 13 CO -0.04 -0.33 0.29 0.93 -3.56 0.00 0.00 178.44 175.73 2d45 h GLU 14 N 0.00 0.52 0.00 0.49 4.39 -1.55 -2.08 114.58 116.36 2d45 h GLU 14 Ca 0.88 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.55 2d45 h GLU 14 Cb 2.73 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.27 2d45 h GLU 14 CO -0.53 0.34 0.00 0.28 -1.16 0.00 0.00 179.01 177.94 2d45 n VAL 15 N -4.89 0.00 0.00 3.13 0.31 0.26 -2.91 118.33 114.24 2d45 n VAL 15 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2d45 n VAL 15 Cb 0.20 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2d45 n VAL 15 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2d45 n ASN 17 N 0.05 0.00 0.12 4.52 3.02 -0.78 -1.51 115.26 120.68 2d45 n ASN 17 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 2d45 n ASN 17 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 2d45 n ASN 17 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2d45 h ILE 18 N 0.00 1.21 0.06 2.41 1.08 -1.81 -3.36 117.51 117.09 2d45 h ILE 18 Ca 0.00 -2.64 -0.00 0.00 -0.39 0.00 0.00 64.86 61.83 2d45 h ILE 18 Cb 0.00 2.99 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2d45 h ILE 18 CO 0.00 0.81 -0.03 0.40 -0.69 0.00 0.00 178.15 178.65 2d45 h ILE 19 N 0.10 0.00 0.00 -0.67 2.04 -1.58 0.83 117.51 118.23 2d45 h ILE 19 Ca -0.27 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2d45 h ILE 19 Cb 2.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2d45 h ILE 19 CO 0.24 0.00 0.00 0.79 0.00 0.00 0.00 178.15 179.18 2d45 n TRP 20 N -2.20 0.00 0.00 1.37 8.01 -1.26 0.72 117.44 124.08 2d45 n TRP 20 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2d45 n TRP 20 Cb 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 2d45 n TRP 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2d45 n LYS 22 N 0.32 0.00 0.00 -0.99 5.02 0.29 -5.00 118.16 117.79 2d45 n LYS 22 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2d45 n LYS 22 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2d45 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d45 n LYS 23 N 0.00 0.00 -4.19 1.97 4.76 0.22 -4.57 118.16 116.35 2d45 n LYS 23 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 2d45 n LYS 23 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 2d45 n LYS 23 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2d45 s TYR 24 N 0.00 3.20 -0.28 2.13 6.04 -1.26 -4.12 117.35 123.06 2d45 s TYR 24 Ca 0.00 0.17 -0.18 0.00 0.04 0.00 0.00 57.07 57.10 2d45 s TYR 24 Cb 0.00 -1.73 0.10 0.00 -1.04 0.00 0.00 41.96 39.30 2d45 s TYR 24 CO 0.00 0.51 0.82 0.00 -1.54 0.00 0.00 175.55 175.34 2d45 s ALA 25 N -1.11 -1.99 0.70 3.97 0.00 -0.83 -4.95 121.76 117.55 2d45 s ALA 25 Ca 0.20 2.25 0.02 0.00 0.00 0.00 0.00 51.96 54.43 2d45 s ALA 25 Cb -0.12 -1.48 0.13 0.00 0.00 0.00 0.00 23.12 21.65 2d45 s ALA 25 CO 0.11 -0.35 0.97 -1.54 0.00 0.00 0.00 175.76 174.95 2d45 s SER 26 N 1.22 4.43 0.00 0.00 1.04 -1.26 0.13 113.70 119.26 2d45 s SER 26 Ca -0.07 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2d45 s SER 26 Cb -0.05 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2d45 s SER 26 CO -0.14 -1.83 0.52 0.00 0.98 0.00 0.00 173.24 172.78 2d45 n ALA 27 N -2.73 -0.01 -0.28 5.32 0.00 -1.26 -2.83 120.51 118.72 2d45 n ALA 27 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2d45 n ALA 27 Cb 0.61 0.14 0.06 0.00 0.00 0.00 0.00 19.45 20.27 2d45 n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2d45 h ASN 28 N 0.00 1.00 -0.89 0.00 2.35 -1.96 -2.72 115.58 113.36 2d45 h ASN 28 Ca 0.00 -0.12 0.36 0.00 -0.55 0.00 0.00 56.30 55.98 2d45 h ASN 28 Cb 0.00 -0.26 -0.16 0.00 0.05 0.00 0.00 38.32 37.95 2d45 h ASN 28 CO 0.00 0.84 0.43 0.59 -1.65 0.00 0.00 177.43 177.64 2d45 n ASN 29 N -4.39 0.26 -0.03 5.81 5.03 -1.21 0.16 115.26 120.89 2d45 n ASN 29 Ca 0.07 1.48 -0.13 0.00 0.87 0.00 0.00 54.58 56.87 2d45 n ASN 29 Cb 0.12 -0.70 -0.10 0.00 -1.02 0.00 0.00 39.78 38.08 2d45 n ASN 29 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2d45 h ILE 30 N 0.00 1.48 -0.08 2.41 2.04 -1.32 -3.21 117.51 118.84 2d45 h ILE 30 Ca 0.73 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 65.15 2d45 h ILE 30 Cb 1.90 2.43 -0.06 0.00 -0.74 0.00 0.00 36.82 40.35 2d45 h ILE 30 CO -0.70 0.39 -0.30 0.40 0.00 0.00 0.00 178.15 177.94 2d45 h ILE 31 N -0.52 0.33 -0.72 -0.67 2.04 0.15 0.26 117.51 118.37 2d45 h ILE 31 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 2d45 h ILE 31 Cb 0.67 0.33 -0.13 0.00 -0.74 0.00 0.00 36.82 36.95 2d45 h ILE 31 CO 0.01 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.75 2d45 h GLU 32 N -0.41 0.05 0.00 2.37 5.08 -1.09 0.64 114.58 121.23 2d45 h GLU 32 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2d45 h GLU 32 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2d45 h GLU 32 CO -0.30 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.13 2d45 n GLU 33 N -5.40 0.14 -0.11 2.33 -0.58 -0.25 -2.88 120.64 113.90 2d45 n GLU 33 Ca 0.11 0.37 -0.14 0.00 -0.42 0.00 0.00 57.16 57.08 2d45 n GLU 33 Cb 0.42 -1.76 -0.12 0.00 -0.57 0.00 0.00 31.44 29.41 2d45 n GLU 33 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2d45 n ILE 34 N -2.01 1.30 -0.18 -3.67 5.41 0.45 -4.57 119.36 116.09 2d45 n ILE 34 Ca 0.03 -0.60 -0.03 0.00 1.00 0.00 0.00 62.75 63.15 2d45 n ILE 34 Cb 0.21 -1.05 -0.03 0.00 -0.71 0.00 0.00 39.64 38.07 2d45 n ILE 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2d45 n GLN 35 N -3.00 0.38 0.00 0.38 6.02 0.20 -0.81 117.38 120.54 2d45 n GLN 35 Ca -0.37 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 2d45 n GLN 35 Cb 0.99 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.61 2d45 n GLN 35 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2d45 n GLN 37 N 3.07 0.00 -3.96 -1.09 7.27 -1.26 -4.98 117.38 116.42 2d45 n GLN 37 Ca 0.08 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.03 2d45 n GLN 37 Cb 0.15 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.79 2d45 n GLN 37 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2d45 s LYS 38 N 0.00 2.02 -0.41 3.69 -0.14 0.01 -5.12 119.74 119.79 2d45 s LYS 38 Ca 0.00 -1.57 0.05 0.00 -1.36 0.00 0.00 55.97 53.09 2d45 s LYS 38 Cb 0.00 0.53 0.19 0.00 -1.68 0.00 0.00 37.83 36.86 2d45 s LYS 38 CO 0.00 -0.89 0.40 -3.47 -0.76 0.00 0.00 175.35 170.63 2d45 n ASP 39 N -1.32 -0.54 -2.44 2.83 2.03 -1.26 -5.01 116.55 110.84 2d45 n ASP 39 Ca -0.03 -2.47 -0.05 0.00 0.52 0.00 0.00 54.79 52.76 2d45 n ASP 39 Cb 0.61 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 2d45 n ASP 39 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2d45 n TRP 40 N 2.57 -0.09 -3.92 -0.67 8.01 -1.26 -5.13 117.44 116.95 2d45 n TRP 40 Ca 0.28 -0.40 -0.34 0.00 -1.31 0.00 0.00 57.50 55.72 2d45 n TRP 40 Cb 0.49 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.31 29.68 2d45 n TRP 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2d45 s SER 41 N -1.47 6.31 0.00 -0.99 0.15 -1.26 -4.93 113.70 111.51 2d45 s SER 41 Ca 0.01 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2d45 s SER 41 Cb -0.00 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2d45 s SER 41 CO 0.01 0.31 0.74 -0.81 1.20 0.00 0.00 173.24 174.68 2d45 n PRO 42 N 1.28 0.00 -0.11 5.44 -0.04 -1.26 -0.05 135.00 140.25 2d45 n PRO 42 Ca -0.14 0.27 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 2d45 n PRO 42 Cb 0.53 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 2d45 n PRO 42 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d45 n LYS 43 N -1.24 0.60 -0.23 0.54 4.76 -1.26 -2.97 118.16 118.35 2d45 n LYS 43 Ca 0.00 0.39 0.04 0.00 -2.87 0.00 0.00 58.31 55.87 2d45 n LYS 43 Cb 0.09 -1.62 0.16 0.00 -1.84 0.00 0.00 35.03 31.82 2d45 n LYS 43 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2d45 h THR 44 N -0.82 0.53 0.40 -0.18 2.02 -0.85 -1.18 112.91 112.83 2d45 h THR 44 Ca -0.52 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2d45 h THR 44 Cb 1.55 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2d45 h THR 44 CO -0.26 0.04 -0.19 0.40 0.37 0.00 0.00 175.52 175.88 2d45 h ILE 45 N 0.25 0.54 -1.10 3.11 2.04 -1.38 -2.75 117.51 118.22 2d45 h ILE 45 Ca 0.39 -0.50 0.35 0.00 1.00 0.00 0.00 64.86 66.10 2d45 h ILE 45 Cb 0.64 0.76 -0.14 0.00 -0.74 0.00 0.00 36.82 37.34 2d45 h ILE 45 CO -0.50 0.08 0.66 -0.09 0.00 0.00 0.00 178.15 178.31 2d45 h ARG 46 N -0.85 0.23 -0.34 2.37 9.65 -1.20 0.83 114.38 125.08 2d45 h ARG 46 Ca -0.05 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2d45 h ARG 46 Cb 0.55 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 2d45 h ARG 46 CO 0.09 0.15 0.17 1.15 2.80 0.00 0.00 179.97 184.33 2d45 h THR 47 N 0.24 0.99 -0.93 0.20 2.02 -0.99 -0.53 112.91 113.90 2d45 h THR 47 Ca 0.75 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.86 2d45 h THR 47 Cb 1.95 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.91 2d45 h THR 47 CO -0.52 0.06 0.60 -0.07 0.37 0.00 0.00 175.52 175.96 2d45 h LEU 48 N 0.35 0.97 0.15 2.58 3.38 0.94 0.36 115.31 124.05 2d45 h LEU 48 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2d45 h LEU 48 Cb 0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2d45 h LEU 48 CO -0.10 0.65 -0.11 0.40 0.09 0.00 0.00 178.44 179.38 2d45 h ILE 49 N 1.13 0.00 -0.57 1.22 2.04 -0.56 -1.64 117.51 119.13 2d45 h ILE 49 Ca 0.38 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 2d45 h ILE 49 Cb 0.08 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.09 2d45 h ILE 49 CO -0.14 0.00 -0.34 0.41 0.00 0.00 0.00 178.15 178.08 2d45 n THR 50 N -2.87 -0.39 -0.29 -0.27 -1.04 -0.29 0.45 114.28 109.60 2d45 n THR 50 Ca -0.03 1.99 -0.02 0.00 -2.04 0.00 0.00 64.05 63.95 2d45 n THR 50 Cb 0.10 -2.52 0.04 0.00 -1.82 0.00 0.00 70.33 66.13 2d45 n THR 50 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2d45 h ARG 51 N 0.00 -0.07 -0.80 -2.82 2.47 -0.34 1.19 114.38 114.00 2d45 h ARG 51 Ca 0.09 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.98 2d45 h ARG 51 Cb 0.23 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 2d45 h ARG 51 CO -0.53 -0.05 0.53 -0.07 0.56 0.00 0.00 179.97 180.41 2d45 h LEU 52 N -0.07 0.40 -0.22 3.04 3.38 0.10 0.32 115.31 122.25 2d45 h LEU 52 Ca 0.31 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2d45 h LEU 52 Cb 0.58 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2d45 h LEU 52 CO -0.83 0.20 -0.15 0.22 0.09 0.00 0.00 178.44 177.97 2d45 h TYR 53 N 0.42 0.58 0.00 1.13 3.20 0.60 -1.44 116.97 121.46 2d45 h TYR 53 Ca 0.40 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2d45 h TYR 53 Cb 0.93 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2d45 h TYR 53 CO -0.00 0.79 -0.43 0.87 -1.64 0.00 0.00 178.16 177.75 2d45 h LYS 54 N 0.19 0.00 0.00 1.82 1.57 0.27 -1.18 116.57 119.25 2d45 h LYS 54 Ca 0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2d45 h LYS 54 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2d45 h LYS 54 CO 0.04 0.43 -0.35 0.87 -0.57 0.00 0.00 179.45 179.87 2d45 h LYS 55 N 0.00 0.00 -2.87 3.15 1.57 -0.35 -3.48 116.57 114.60 2d45 h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d45 h LYS 55 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2d45 h LYS 55 CO 0.06 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 2d45 n GLY 56 N 0.21 0.88 0.00 3.86 0.00 -0.44 -4.97 105.19 104.72 2d45 n GLY 56 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2d45 n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2d45 n PHE 57 N -1.43 0.00 -4.43 1.61 3.01 -0.96 -4.89 117.46 110.36 2d45 n PHE 57 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 2d45 n PHE 57 Cb 0.49 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.81 2d45 n PHE 57 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2d45 s ILE 58 N -2.11 0.71 0.19 4.37 -4.36 -1.25 0.21 121.20 118.96 2d45 s ILE 58 Ca -0.01 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.35 2d45 s ILE 58 Cb 0.01 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2d45 s ILE 58 CO 0.08 0.00 0.17 -0.62 0.24 0.00 0.00 174.94 174.81 2d45 s ASP 59 N -3.48 0.15 0.14 4.36 3.68 0.71 -4.71 116.67 117.52 2d45 s ASP 59 Ca 0.32 -1.24 0.01 0.00 2.13 0.00 0.00 52.55 53.77 2d45 s ASP 59 Cb 0.06 0.39 0.01 0.00 -1.45 0.00 0.00 42.92 41.93 2d45 s ASP 59 CO 0.15 -0.86 0.09 -2.11 0.13 0.00 0.00 175.17 172.57 2d45 n ARG 60 N -0.24 1.35 0.00 4.34 1.85 -1.26 -0.04 116.66 122.66 2d45 n ARG 60 Ca -0.01 -0.93 0.00 0.00 -1.00 0.00 0.00 57.85 55.91 2d45 n ARG 60 Cb 0.65 0.13 0.00 0.00 -1.05 0.00 0.00 32.46 32.18 2d45 n ARG 60 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2d45 n LYS 61 N -0.75 0.00 -1.76 2.89 0.00 -0.93 -4.85 118.16 112.75 2d45 n LYS 61 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.11 2d45 n LYS 61 Cb 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.13 2d45 n LYS 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2d45 s LYS 62 N 0.00 1.94 0.02 1.64 2.47 -1.26 -1.87 119.74 122.68 2d45 s LYS 62 Ca 0.00 0.09 -0.26 0.00 -1.56 0.00 0.00 55.97 54.24 2d45 s LYS 62 Cb 0.00 -4.91 -0.17 0.00 -1.46 0.00 0.00 37.83 31.29 2d45 s LYS 62 CO 0.00 -4.13 1.33 0.22 0.16 0.00 0.00 175.35 172.93 2d45 h ASP 63 N 12.00 -0.32 0.00 1.43 1.82 -1.86 -3.45 116.42 126.03 2d45 h ASP 63 Ca 0.04 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2d45 h ASP 63 Cb 1.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2d45 h ASP 63 CO 1.09 -0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 175.51 2d45 n ASN 64 N -5.14 0.00 0.00 2.28 2.85 -1.26 -4.95 115.26 109.04 2d45 n ASN 64 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2d45 n ASN 64 Cb 0.25 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.27 2d45 n ASN 64 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2d45 n LYS 65 N 0.00 0.31 -4.17 1.20 4.76 -1.26 -5.01 118.16 113.98 2d45 n LYS 65 Ca 0.00 -0.61 -0.16 0.00 -2.87 0.00 0.00 58.31 54.66 2d45 n LYS 65 Cb 0.00 -0.81 -0.14 0.00 -1.84 0.00 0.00 35.03 32.23 2d45 n LYS 65 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2d45 s ILE 66 N -0.23 0.43 0.86 -0.18 -4.36 -1.26 -5.09 121.20 111.37 2d45 s ILE 66 Ca 0.00 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.02 2d45 s ILE 66 Cb 0.00 -0.37 0.04 0.00 1.25 0.00 0.00 42.46 43.38 2d45 s ILE 66 CO 0.00 0.12 0.70 0.49 0.24 0.00 0.00 174.94 176.50 2d45 n PHE 67 N 2.97 -0.40 -3.77 1.37 3.01 -1.26 -3.28 117.46 116.09 2d45 n PHE 67 Ca -0.13 0.32 -0.26 0.00 1.01 0.00 0.00 57.45 58.39 2d45 n PHE 67 Cb 0.58 -1.92 -0.17 0.00 -0.01 0.00 0.00 39.48 37.96 2d45 n PHE 67 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2d45 s GLN 68 N -3.63 0.77 0.26 -1.08 -1.52 -0.78 -4.15 119.66 109.53 2d45 s GLN 68 Ca 0.64 -0.27 -0.13 0.00 -1.95 0.00 0.00 55.36 53.65 2d45 s GLN 68 Cb -0.27 -1.74 -0.08 0.00 -0.22 0.00 0.00 33.01 30.70 2d45 s GLN 68 CO 0.60 -0.50 0.63 0.71 -0.25 0.00 0.00 175.29 176.48 2d45 s TYR 69 N 1.86 3.43 0.04 0.91 1.51 0.35 -2.20 117.35 123.26 2d45 s TYR 69 Ca 0.01 1.05 -0.04 0.00 -1.01 0.00 0.00 57.07 57.09 2d45 s TYR 69 Cb -0.15 -2.40 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2d45 s TYR 69 CO -0.07 0.22 0.05 1.52 -1.11 0.00 0.00 175.55 176.15 2d45 s TYR 70 N -1.84 0.29 0.53 2.71 1.13 0.94 -1.96 117.35 119.15 2d45 s TYR 70 Ca 0.49 -0.66 -0.20 0.00 -1.41 0.00 0.00 57.07 55.29 2d45 s TYR 70 Cb -0.11 -0.21 -0.06 0.00 -1.10 0.00 0.00 41.96 40.47 2d45 s TYR 70 CO 0.19 -0.35 1.13 0.45 -2.51 0.00 0.00 175.55 174.47 2d45 s SER 71 N -2.26 5.80 -0.13 -0.18 0.15 -1.26 -0.20 113.70 115.61 2d45 s SER 71 Ca -0.03 2.19 0.12 0.00 0.70 0.00 0.00 55.95 58.92 2d45 s SER 71 Cb 0.00 -2.58 -0.17 0.00 -1.71 0.00 0.00 66.02 61.56 2d45 s SER 71 CO -0.06 -1.17 0.05 0.18 1.20 0.00 0.00 173.24 173.44 2d45 n LEU 72 N -1.19 0.03 -4.90 3.45 4.77 0.55 -4.75 117.00 114.96 2d45 n LEU 72 Ca 0.11 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 2d45 n LEU 72 Cb 0.51 0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.88 2d45 n LEU 72 CO 0.43 0.34 0.07 0.68 -1.33 0.00 0.00 177.39 177.58 2d45 s VAL 73 N -2.33 5.14 -0.13 4.08 -7.23 -1.17 -5.02 120.40 113.74 2d45 s VAL 73 Ca -0.07 -0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 59.81 2d45 s VAL 73 Cb 0.04 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 2d45 s VAL 73 CO 0.56 -0.08 0.84 -0.70 -0.31 0.00 0.00 175.10 175.41 2d45 s GLU 74 N -2.99 4.36 0.00 4.82 -6.30 -1.26 -5.00 118.70 112.33 2d45 s GLU 74 Ca 0.41 1.08 0.00 0.00 -2.50 0.00 0.00 54.97 53.96 2d45 s GLU 74 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.48 2d45 s GLU 74 CO 0.26 -0.24 0.00 -1.91 0.02 0.00 0.00 175.26 173.40 2d45 n GLU 75 N 4.84 0.00 -0.24 4.30 2.13 -1.26 -1.24 120.64 129.17 2d45 n GLU 75 Ca 0.04 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.09 2d45 n GLU 75 Cb 0.49 -0.41 0.42 0.00 0.27 0.00 0.00 31.44 32.21 2d45 n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2d45 n SER 76 N 0.00 0.22 -0.24 4.31 3.41 -1.26 0.16 113.62 120.22 2d45 n SER 76 Ca 0.00 1.24 0.02 0.00 -0.26 0.00 0.00 58.87 59.87 2d45 n SER 76 Cb 0.00 -0.59 0.15 0.00 -0.26 0.00 0.00 64.21 63.51 2d45 n SER 76 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2d45 h ASP 77 N 0.00 0.38 0.16 4.04 3.32 -1.73 -2.10 116.42 120.48 2d45 h ASP 77 Ca 0.61 0.08 -0.31 0.00 0.02 0.00 0.00 57.03 57.43 2d45 h ASP 77 Cb 1.59 0.02 0.01 0.00 0.22 0.00 0.00 39.33 41.17 2d45 h ASP 77 CO -0.59 0.20 -1.54 -0.29 -1.72 0.00 0.00 179.24 175.31 2d45 h ILE 78 N 0.53 1.03 0.60 0.35 2.10 0.29 -3.11 117.51 119.30 2d45 h ILE 78 Ca 0.36 -2.47 -0.03 0.00 1.08 0.00 0.00 64.86 63.80 2d45 h ILE 78 Cb 0.44 2.78 0.01 0.00 -1.09 0.00 0.00 36.82 38.96 2d45 h ILE 78 CO -0.31 0.78 -0.29 0.11 -1.08 0.00 0.00 178.15 177.36 2d45 h LYS 79 N -0.10 -0.78 -1.00 2.19 1.57 -1.29 0.51 116.57 117.67 2d45 h LYS 79 Ca -0.31 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.67 2d45 h LYS 79 Cb 1.93 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 34.32 2d45 h LYS 79 CO 0.13 -0.51 0.62 -0.92 -0.57 0.00 0.00 179.45 178.20 2d45 h TYR 80 N -0.83 1.11 0.07 -1.35 3.20 -1.54 0.29 116.97 117.93 2d45 h TYR 80 Ca -0.08 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2d45 h TYR 80 Cb 0.63 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2d45 h TYR 80 CO -0.03 0.36 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.59 2d45 h LYS 81 N 0.89 -0.09 0.06 1.82 3.64 -1.33 -2.48 116.57 119.08 2d45 h LYS 81 Ca 0.54 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.93 2d45 h LYS 81 Cb 0.67 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2d45 h LYS 81 CO -0.32 0.03 -0.13 1.15 -2.27 0.00 0.00 179.45 177.92 2d45 h THR 82 N -0.20 0.70 -0.97 1.00 2.02 0.19 -2.16 112.91 113.49 2d45 h THR 82 Ca -0.01 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.36 2d45 h THR 82 Cb 0.17 0.70 -0.11 0.00 -1.74 0.00 0.00 68.15 67.17 2d45 h THR 82 CO 0.02 0.00 0.57 0.28 0.37 0.00 0.00 175.52 176.75 2d45 h SER 83 N -0.24 0.71 -0.35 4.18 0.02 -1.10 -0.02 113.55 116.76 2d45 h SER 83 Ca 0.03 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2d45 h SER 83 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2d45 h SER 83 CO -0.08 0.24 0.16 0.11 -1.14 0.00 0.00 176.83 176.12 2d45 h LYS 84 N 0.71 0.50 -0.57 3.45 1.79 -0.91 -0.17 116.57 121.37 2d45 h LYS 84 Ca 0.56 -0.08 0.08 0.00 -2.18 0.00 0.00 60.65 59.03 2d45 h LYS 84 Cb 0.88 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.38 2d45 h LYS 84 CO -0.39 0.46 0.23 -0.97 -1.08 0.00 0.00 179.45 177.70 2d45 h ASN 85 N 0.42 0.26 0.10 0.86 -1.24 -0.65 -2.03 115.58 113.29 2d45 h ASN 85 Ca 0.12 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2d45 h ASN 85 Cb 0.13 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 2d45 h ASN 85 CO -0.01 0.17 -0.06 0.15 -1.29 0.00 0.00 177.43 176.38 2d45 h PHE 86 N 0.43 -0.17 -0.81 0.67 3.57 -0.73 -2.68 116.94 117.22 2d45 h PHE 86 Ca 0.28 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.93 2d45 h PHE 86 Cb 0.30 0.06 -0.15 0.00 2.79 0.00 0.00 35.95 38.95 2d45 h PHE 86 CO -0.15 -0.10 -0.24 0.82 -2.23 0.00 0.00 178.31 176.41 2d45 h ILE 87 N -0.16 0.16 -0.51 1.41 2.04 -1.01 0.32 117.51 119.76 2d45 h ILE 87 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2d45 h ILE 87 Cb 0.13 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2d45 h ILE 87 CO 0.01 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.31 2d45 h ASN 88 N -0.02 0.03 0.48 1.72 4.21 -1.31 0.92 115.58 121.61 2d45 h ASN 88 Ca 0.37 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.58 2d45 h ASN 88 Cb 0.59 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2d45 h ASN 88 CO -0.84 0.02 -1.49 0.07 -1.29 0.00 0.00 177.43 173.90 2d45 h LYS 89 N 0.03 0.25 0.00 0.81 2.10 -0.18 -3.43 116.57 116.16 2d45 h LYS 89 Ca 0.24 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2d45 h LYS 89 Cb 0.93 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2d45 h LYS 89 CO -0.01 1.12 0.00 0.28 -2.00 0.00 0.00 179.45 178.84 2d45 n VAL 90 N -3.46 0.00 -2.23 0.07 0.31 0.56 -4.92 118.33 108.66 2d45 n VAL 90 Ca -0.15 0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 2d45 n VAL 90 Cb 1.04 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 33.27 2d45 n VAL 90 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2d45 s TYR 91 N -0.19 3.04 0.19 3.52 2.02 0.30 -4.93 117.35 121.30 2d45 s TYR 91 Ca 0.00 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.62 2d45 s TYR 91 Cb 0.00 -3.64 0.08 0.00 -0.40 0.00 0.00 41.96 38.00 2d45 s TYR 91 CO 0.00 -2.31 1.44 0.87 -1.57 0.00 0.00 175.55 173.99 2d45 h LYS 92 N 7.39 0.30 -1.31 -0.62 1.79 -1.87 -3.33 116.57 118.93 2d45 h LYS 92 Ca -0.40 -0.26 -0.38 0.00 -2.18 0.00 0.00 60.65 57.43 2d45 h LYS 92 Cb 1.19 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 31.73 2d45 h LYS 92 CO 0.88 0.92 0.49 0.41 -1.08 0.00 0.00 179.45 181.07 2d45 n GLY 93 N 0.59 4.27 5.69 3.86 0.00 -1.26 -5.05 105.19 113.29 2d45 n GLY 93 Ca -0.04 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.82 2d45 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d45 n GLY 94 N -0.08 -0.88 0.30 -0.02 0.00 -1.25 -2.87 105.19 100.40 2d45 n GLY 94 Ca 0.37 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2d45 n GLY 94 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2d45 h PHE 95 N -0.23 0.24 0.00 1.61 3.57 -1.96 -2.81 116.94 117.36 2d45 h PHE 95 Ca 0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2d45 h PHE 95 Cb 0.23 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2d45 h PHE 95 CO 0.00 -0.23 0.00 0.09 -2.23 0.00 0.00 178.31 175.94 2d45 n ASN 96 N -5.26 0.00 -0.15 0.41 4.13 -1.25 -1.71 115.26 111.42 2d45 n ASN 96 Ca 0.20 0.76 0.19 0.00 1.68 0.00 0.00 54.58 57.41 2d45 n ASN 96 Cb 0.64 -0.26 0.30 0.00 -1.54 0.00 0.00 39.78 38.91 2d45 n ASN 96 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2d45 n SER 97 N -1.60 0.00 -0.05 6.41 2.88 -1.07 0.23 113.62 120.42 2d45 n SER 97 Ca 0.00 0.53 -0.08 0.00 -1.33 0.00 0.00 58.87 57.99 2d45 n SER 97 Cb 0.00 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 2d45 n SER 97 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2d45 h LEU 98 N 0.00 -0.02 -1.84 2.46 6.46 -1.26 -2.82 115.31 118.30 2d45 h LEU 98 Ca 0.34 -0.50 0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2d45 h LEU 98 Cb 2.05 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.95 2d45 h LEU 98 CO -0.00 0.72 0.39 0.58 -0.62 0.00 0.00 178.44 179.51 2d45 h VAL 99 N -0.99 0.80 -0.39 1.05 2.07 0.11 0.63 116.25 119.54 2d45 h VAL 99 Ca -0.00 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2d45 h VAL 99 Cb 0.52 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2d45 h VAL 99 CO 0.00 0.03 -0.13 0.25 0.02 0.00 0.00 177.57 177.75 2d45 h LEU 100 N 0.17 0.68 -1.04 2.57 5.85 -1.42 -2.29 115.31 119.84 2d45 h LEU 100 Ca 0.27 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2d45 h LEU 100 Cb 0.81 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2d45 h LEU 100 CO -0.04 0.83 -0.30 -1.13 -0.34 0.00 0.00 178.44 177.47 2d45 h ASN 101 N 0.63 0.00 0.70 1.25 -0.73 0.51 -2.57 115.58 115.36 2d45 h ASN 101 Ca 0.11 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 58.01 2d45 h ASN 101 Cb 0.58 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2d45 h ASN 101 CO 0.04 0.30 -1.25 -0.26 -0.37 0.00 0.00 177.43 175.88 2d45 h PHE 102 N 0.00 0.32 0.00 0.67 0.05 -0.72 -3.10 116.94 114.16 2d45 h PHE 102 Ca -0.00 -0.23 -0.20 0.00 3.82 0.00 0.00 57.97 61.36 2d45 h PHE 102 Cb 0.81 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 38.72 2d45 h PHE 102 CO 0.00 1.21 -0.94 0.28 -0.18 0.00 0.00 178.31 178.67 2d45 h VAL 103 N 0.05 1.67 0.00 -0.55 2.07 -1.46 0.40 116.25 118.42 2d45 h VAL 103 Ca -0.13 -3.19 0.00 0.00 0.82 0.00 0.00 66.70 64.20 2d45 h VAL 103 Cb 1.93 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2d45 h VAL 103 CO 0.17 0.91 0.00 -0.08 0.02 0.00 0.00 177.57 178.59 2d45 h GLU 104 N 0.00 0.00 -0.33 1.57 4.57 -1.53 0.19 114.58 119.06 2d45 h GLU 104 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2d45 h GLU 104 Cb 1.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 2d45 h GLU 104 CO 0.12 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.58 2d45 n LYS 105 N -2.89 3.32 -3.97 1.92 4.76 -0.91 -4.97 118.16 115.41 2d45 n LYS 105 Ca -0.00 -2.90 -0.32 0.00 -2.87 0.00 0.00 58.31 52.21 2d45 n LYS 105 Cb 0.20 -1.92 0.01 0.00 -1.84 0.00 0.00 35.03 31.47 2d45 n LYS 105 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2d45 n GLU 106 N -0.26 -0.49 -0.79 1.97 1.02 0.67 -4.77 120.64 117.99 2d45 n GLU 106 Ca 0.23 -0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.27 2d45 n GLU 106 Cb 0.95 -1.41 0.32 0.00 -0.02 0.00 0.00 31.44 31.28 2d45 n GLU 106 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2d45 n ASP 107 N -1.19 4.87 -3.94 1.62 4.64 0.07 -4.90 116.55 117.71 2d45 n ASP 107 Ca -0.08 -2.85 -0.17 0.00 -1.38 0.00 0.00 54.79 50.32 2d45 n ASP 107 Cb 0.39 -0.67 -0.15 0.00 -1.04 0.00 0.00 41.12 39.65 2d45 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2d45 s LEU 108 N -2.37 1.86 0.04 -2.67 1.43 -1.26 -5.02 118.68 110.68 2d45 s LEU 108 Ca 0.46 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2d45 s LEU 108 Cb 0.36 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 2d45 s LEU 108 CO 0.13 0.04 0.25 -0.94 0.23 0.00 0.00 176.35 176.05 2d45 s SER 109 N 0.10 6.42 0.65 2.29 1.04 -1.26 -4.88 113.70 118.06 2d45 s SER 109 Ca -0.01 0.42 0.33 0.00 0.48 0.00 0.00 55.95 57.18 2d45 s SER 109 Cb -0.05 -2.03 1.82 0.00 0.10 0.00 0.00 66.02 65.86 2d45 s SER 109 CO -0.00 0.20 2.05 -0.61 0.98 0.00 0.00 173.24 175.86 2d45 h GLN 110 N 3.48 0.00 -0.49 4.02 5.75 -2.01 1.39 115.11 127.25 2d45 h GLN 110 Ca -0.48 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 57.96 2d45 h GLN 110 Cb 1.18 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 2d45 h GLN 110 CO 0.71 0.00 0.04 -0.44 -2.65 0.00 0.00 178.83 176.49 2d45 h ASP 111 N 0.00 0.75 0.00 -0.69 3.45 -2.00 -2.27 116.42 115.66 2d45 h ASP 111 Ca 0.03 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.27 2d45 h ASP 111 Cb 0.52 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 2d45 h ASP 111 CO -0.00 0.80 -0.30 -0.33 -1.57 0.00 0.00 179.24 177.84 2d45 h GLU 112 N 0.75 0.00 -0.79 3.56 5.08 0.13 -3.27 114.58 120.04 2d45 h GLU 112 Ca 0.15 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.74 2d45 h GLU 112 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2d45 h GLU 112 CO 0.01 0.91 0.63 0.82 -1.00 0.00 0.00 179.01 180.39 2d45 h ILE 113 N -1.00 0.46 0.63 3.13 2.04 -0.85 0.60 117.51 122.53 2d45 h ILE 113 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2d45 h ILE 113 Cb 0.99 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2d45 h ILE 113 CO -0.05 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.72 2d45 h GLU 114 N 0.00 -0.82 -0.97 2.37 4.57 -1.49 -3.16 114.58 115.09 2d45 h GLU 114 Ca 0.37 0.06 0.28 0.00 -1.18 0.00 0.00 59.36 58.89 2d45 h GLU 114 Cb 1.63 0.19 -0.18 0.00 -0.16 0.00 0.00 28.75 30.24 2d45 h GLU 114 CO -0.00 -0.51 0.10 1.49 -1.18 0.00 0.00 179.01 178.91 2d45 h GLU 115 N -1.14 0.03 -0.42 1.92 4.81 -0.94 -0.76 114.58 118.08 2d45 h GLU 115 Ca -0.09 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2d45 h GLU 115 Cb 0.69 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.97 2d45 h GLU 115 CO 0.14 0.02 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.12 2d45 h LEU 116 N 0.04 -0.85 -0.10 1.64 3.38 -1.44 -0.73 115.31 117.25 2d45 h LEU 116 Ca 0.61 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.80 2d45 h LEU 116 Cb 1.29 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 2d45 h LEU 116 CO -0.87 -0.27 -0.20 0.03 0.09 0.00 0.00 178.44 177.22 2d45 h ARG 117 N -0.17 -0.26 0.00 1.13 3.08 -1.21 0.55 114.38 117.51 2d45 h ARG 117 Ca 0.20 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2d45 h ARG 117 Cb 0.49 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2d45 h ARG 117 CO -0.53 -0.17 0.00 0.09 -1.07 0.00 0.00 179.97 178.29 2d45 n ASN 118 N -5.34 0.00 -0.00 7.04 3.02 -0.72 0.10 115.26 119.36 2d45 n ASN 118 Ca -0.03 -0.34 0.05 0.00 -0.03 0.00 0.00 54.58 54.23 2d45 n ASN 118 Cb 0.25 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2d45 n ASN 118 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2d45 n ILE 119 N -0.90 0.00 1.29 2.41 2.08 0.13 -4.27 119.36 120.10 2d45 n ILE 119 Ca 0.05 -0.25 0.13 0.00 0.56 0.00 0.00 62.75 63.25 2d45 n ILE 119 Cb 0.03 0.43 0.44 0.00 -0.75 0.00 0.00 39.64 39.78 2d45 n ILE 119 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2d45 n LEU 120 N -1.72 0.91 0.00 1.39 4.77 0.28 -5.05 117.00 117.58 2d45 n LEU 120 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2d45 n LEU 120 Cb 0.25 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2d45 n LEU 120 CO 0.22 0.17 0.13 0.59 -1.33 0.00 0.00 177.39 177.17