#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w5k s GLU 2 N 0.00 4.13 0.76 -1.58 2.12 -1.26 -5.00 118.70 117.88 2w5k s GLU 2 Ca 0.00 2.59 -0.11 0.00 0.36 0.00 0.00 54.97 57.81 2w5k s GLU 2 Cb 0.00 -3.17 0.05 0.00 0.26 0.00 0.00 34.13 31.27 2w5k s GLU 2 CO 0.00 -0.76 1.08 0.95 -0.54 0.00 0.00 175.26 176.00 2w5k s THR 3 N 1.45 3.44 0.26 -1.70 -4.23 -1.26 -4.87 115.64 108.74 2w5k s THR 3 Ca 0.75 0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 2w5k s THR 3 Cb -0.49 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 70.54 2w5k s THR 3 CO 0.33 -0.61 1.87 0.00 -0.54 0.00 0.00 174.62 175.67 2w5k h ALA 4 N -1.06 1.23 -0.40 3.99 0.00 -1.96 -0.60 119.26 120.46 2w5k h ALA 4 Ca -0.44 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2w5k h ALA 4 Cb 1.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2w5k h ALA 4 CO 0.53 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 180.37 2w5k h ALA 5 N 1.34 0.54 -0.82 0.00 0.00 -1.90 -1.62 119.26 116.80 2w5k h ALA 5 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2w5k h ALA 5 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2w5k h ALA 5 CO -0.04 0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.94 2w5k h ALA 6 N 0.88 1.16 -0.55 0.00 0.00 -1.84 -2.50 119.26 116.40 2w5k h ALA 6 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2w5k h ALA 6 Cb 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2w5k h ALA 6 CO 0.02 0.64 0.35 -0.22 0.00 0.00 0.00 179.25 180.05 2w5k h LYS 7 N 1.16 0.69 -0.59 0.00 3.64 -0.91 -1.02 116.57 119.55 2w5k h LYS 7 Ca 0.28 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2w5k h LYS 7 Cb 0.11 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2w5k h LYS 7 CO -0.04 0.46 0.35 0.35 -2.27 0.00 0.00 179.45 178.30 2w5k h PHE 8 N 0.71 0.65 -0.53 1.91 3.57 -1.06 -0.41 116.94 121.79 2w5k h PHE 8 Ca 0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2w5k h PHE 8 Cb -0.05 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 2w5k h PHE 8 CO -0.04 0.36 0.35 0.93 -2.23 0.00 0.00 178.31 177.68 2w5k h GLU 9 N 0.69 0.70 -0.35 1.11 5.08 -1.04 -0.54 114.58 120.23 2w5k h GLU 9 Ca 0.24 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2w5k h GLU 9 Cb 0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2w5k h GLU 9 CO -0.11 0.46 0.11 -0.09 -1.00 0.00 0.00 179.01 178.38 2w5k h ARG 10 N 0.72 0.54 0.00 2.33 2.43 -0.83 -2.21 114.38 117.35 2w5k h ARG 10 Ca 0.19 -0.12 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 2w5k h ARG 10 Cb -0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2w5k h ARG 10 CO -0.04 0.57 -0.75 1.96 -1.51 0.00 0.00 179.97 180.20 2w5k h GLN 11 N 0.41 0.00 0.00 0.20 4.20 -1.00 -3.42 115.11 115.51 2w5k h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2w5k h GLN 11 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2w5k h GLN 11 CO -0.00 0.75 -0.03 0.72 -0.67 0.00 0.00 178.83 179.59 2w5k n HIS 12 N -3.44 0.00 -3.99 2.96 8.25 -0.22 -4.76 115.22 114.02 2w5k n HIS 12 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2w5k n HIS 12 Cb 0.78 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.79 2w5k n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2w5k s MET 13 N -0.52 3.90 -0.42 -0.41 -1.94 -0.84 -0.60 119.30 118.47 2w5k s MET 13 Ca 0.00 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 2w5k s MET 13 Cb 0.00 -3.22 0.17 0.00 2.01 0.00 0.00 34.83 33.79 2w5k s MET 13 CO 0.00 0.18 0.36 0.34 -0.01 0.00 0.00 175.02 175.89 2w5k s ASP 14 N 0.61 1.25 0.08 3.03 2.15 -0.46 -4.86 116.67 118.47 2w5k s ASP 14 Ca 0.03 -2.99 0.23 0.00 0.43 0.00 0.00 52.55 50.25 2w5k s ASP 14 Cb -0.13 -0.31 0.94 0.00 -0.30 0.00 0.00 42.92 43.12 2w5k s ASP 14 CO 0.01 -0.16 1.73 -1.20 -0.17 0.00 0.00 175.17 175.38 2w5k n SER 15 N 2.85 0.27 0.23 -0.34 7.64 -1.26 -3.67 113.62 119.35 2w5k n SER 15 Ca 0.29 0.54 0.07 0.00 1.01 0.00 0.00 58.87 60.78 2w5k n SER 15 Cb 0.48 -0.61 0.54 0.00 -1.01 0.00 0.00 64.21 63.61 2w5k n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2w5k h SER 16 N 0.00 0.00 -3.47 6.43 0.02 -1.94 -3.44 113.55 111.15 2w5k h SER 16 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2w5k h SER 16 Cb 0.45 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.80 2w5k h SER 16 CO 0.00 0.19 -0.82 0.42 -1.14 0.00 0.00 176.83 175.48 2w5k s THR 17 N -4.51 2.52 -0.14 -2.27 -4.23 -1.24 -5.04 115.64 100.73 2w5k s THR 17 Ca -0.04 -1.81 0.17 0.00 -1.18 0.00 0.00 61.69 58.83 2w5k s THR 17 Cb 0.15 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 2w5k s THR 17 CO 0.68 -0.02 1.06 -1.28 -0.54 0.00 0.00 174.62 174.52 2w5k h SER 18 N 3.46 0.00 -2.02 3.99 0.87 -1.88 -3.44 113.55 114.53 2w5k h SER 18 Ca -0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2w5k h SER 18 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2w5k h SER 18 CO 0.46 0.50 -0.02 0.00 -0.53 0.00 0.00 176.83 177.25 2w5k n ALA 19 N -2.32 -0.14 -1.63 6.23 0.00 -1.26 -4.88 120.51 116.51 2w5k n ALA 19 Ca -0.05 -0.37 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 2w5k n ALA 19 Cb 0.78 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 20.49 2w5k n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2w5k n ALA 20 N -2.45 1.55 -0.16 0.00 0.00 -1.26 -4.87 120.51 113.33 2w5k n ALA 20 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2w5k n ALA 20 Cb 0.14 -2.74 0.26 0.00 0.00 0.00 0.00 19.45 17.11 2w5k n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2w5k h SER 21 N 12.05 0.78 -5.81 0.00 0.02 -1.99 -3.47 113.55 115.13 2w5k h SER 21 Ca -0.46 -0.05 0.33 0.00 -0.84 0.00 0.00 61.79 60.77 2w5k h SER 21 Cb 1.25 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 2w5k h SER 21 CO 0.95 0.62 0.88 -0.94 -1.14 0.00 0.00 176.83 177.20 2w5k s SER 22 N -6.47 -0.01 0.61 3.07 1.04 -1.26 -4.98 113.70 105.70 2w5k s SER 22 Ca -0.10 -0.20 0.41 0.00 0.48 0.00 0.00 55.95 56.53 2w5k s SER 22 Cb 0.17 0.16 2.17 0.00 0.10 0.00 0.00 66.02 68.62 2w5k s SER 22 CO 0.78 -0.31 2.24 0.77 0.98 0.00 0.00 173.24 177.70 2w5k h SER 23 N 2.00 0.00 -0.02 7.02 4.64 -1.94 -2.22 113.55 123.02 2w5k h SER 23 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2w5k h SER 23 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2w5k h SER 23 CO 0.31 0.00 -0.02 0.59 -0.87 0.00 0.00 176.83 176.84 2w5k n ASN 24 N -2.95 2.52 -0.04 4.97 3.02 -1.26 -4.61 115.26 116.92 2w5k n ASN 24 Ca -0.02 -1.83 -0.10 0.00 -0.03 0.00 0.00 54.58 52.60 2w5k n ASN 24 Cb 0.08 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2w5k n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2w5k h TYR 25 N 3.93 -0.91 -0.72 3.10 3.20 -1.78 -2.48 116.97 121.31 2w5k h TYR 25 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2w5k h TYR 25 Cb 0.85 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 2w5k h TYR 25 CO 0.00 -0.39 0.41 0.00 -1.64 0.00 0.00 178.16 176.54 2w5k h ASN 27 N 0.99 0.62 -0.09 0.00 2.35 -1.72 -0.43 115.58 117.30 2w5k h ASN 27 Ca 0.26 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2w5k h ASN 27 Cb 0.01 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2w5k h ASN 27 CO -0.04 0.38 -0.22 1.56 -1.65 0.00 0.00 177.43 177.46 2w5k h GLN 28 N 0.75 0.31 -0.03 0.81 4.20 -1.11 -3.28 115.11 116.76 2w5k h GLN 28 Ca 0.34 -0.21 -0.22 0.00 0.06 0.00 0.00 58.65 58.61 2w5k h GLN 28 Cb 0.24 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2w5k h GLN 28 CO -0.20 0.82 -0.91 0.52 -0.67 0.00 0.00 178.83 178.39 2w5k h MET 29 N -0.16 0.49 -0.64 1.46 2.86 -0.89 -1.93 114.93 116.12 2w5k h MET 29 Ca -0.00 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 2w5k h MET 29 Cb 0.83 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 2w5k h MET 29 CO 0.05 1.13 0.29 0.52 1.06 0.00 0.00 176.91 179.96 2w5k h MET 30 N 0.30 0.92 0.01 1.72 2.86 -1.22 -1.90 114.93 117.61 2w5k h MET 30 Ca -0.08 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2w5k h MET 30 Cb 1.53 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2w5k h MET 30 CO 0.16 0.73 -0.00 -0.22 1.06 0.00 0.00 176.91 178.64 2w5k h LYS 31 N 0.91 -0.01 0.00 1.72 3.64 -1.60 -0.97 116.57 120.26 2w5k h LYS 31 Ca 0.22 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2w5k h LYS 31 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2w5k h LYS 31 CO -0.03 0.63 -0.19 0.66 -2.27 0.00 0.00 179.45 178.25 2w5k h SER 32 N -0.65 0.00 -0.33 4.20 4.64 -1.25 -1.33 113.55 118.82 2w5k h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2w5k h SER 32 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2w5k h SER 32 CO 0.00 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 2w5k n ARG 33 N -3.89 1.79 -2.86 4.77 5.12 -0.72 -4.94 116.66 115.92 2w5k n ARG 33 Ca -0.02 -1.22 -0.18 0.00 -1.93 0.00 0.00 57.85 54.50 2w5k n ARG 33 Cb 0.28 -1.27 0.03 0.00 -1.16 0.00 0.00 32.46 30.34 2w5k n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2w5k n ASN 34 N 0.49 -5.28 -1.10 0.55 3.02 -0.50 -4.86 115.26 107.58 2w5k n ASN 34 Ca 0.12 -0.23 0.11 0.00 -0.03 0.00 0.00 54.58 54.55 2w5k n ASN 34 Cb 0.29 -4.13 0.26 0.00 -0.61 0.00 0.00 39.78 35.59 2w5k n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2w5k n LEU 35 N -3.30 3.25 -0.11 3.41 4.77 -0.37 -4.01 117.00 120.63 2w5k n LEU 35 Ca -0.10 -1.46 0.05 0.00 -0.03 0.00 0.00 56.01 54.47 2w5k n LEU 35 Cb 0.60 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2w5k n LEU 35 CO 0.38 0.73 0.47 0.35 -1.33 0.00 0.00 177.39 177.99 2w5k n THR 36 N 1.33 1.17 -0.05 -5.08 -2.24 -1.23 -2.90 114.28 105.28 2w5k n THR 36 Ca 0.20 -1.35 -0.15 0.00 -2.27 0.00 0.00 64.05 60.48 2w5k n THR 36 Cb 0.56 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 2w5k n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2w5k h LYS 37 N 0.00 0.48 0.00 -0.78 3.64 -1.91 -3.35 116.57 114.64 2w5k h LYS 37 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2w5k h LYS 37 Cb 0.92 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2w5k h LYS 37 CO 0.00 0.94 -1.10 -0.25 -2.27 0.00 0.00 179.45 176.77 2w5k n ASP 38 N -4.35 0.95 -3.62 4.20 8.00 -1.26 -5.05 116.55 115.42 2w5k n ASP 38 Ca -0.07 -0.55 0.03 0.00 0.71 0.00 0.00 54.79 54.92 2w5k n ASP 38 Cb 0.50 1.27 -0.00 0.00 -0.02 0.00 0.00 41.12 42.87 2w5k n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w5k s ARG 39 N -2.71 0.14 -0.59 -1.24 1.70 -1.26 -5.09 118.95 109.90 2w5k s ARG 39 Ca 0.02 -0.08 -0.25 0.00 -0.47 0.00 0.00 55.73 54.95 2w5k s ARG 39 Cb 0.11 0.05 0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2w5k s ARG 39 CO 0.65 -0.06 1.01 0.00 -1.08 0.00 0.00 175.30 175.81 2w5k n LYS 41 N 7.80 2.29 0.07 0.00 4.81 -1.14 -4.88 118.16 127.10 2w5k n LYS 41 Ca 0.02 0.83 -0.05 0.00 -0.87 0.00 0.00 58.31 58.25 2w5k n LYS 41 Cb 0.47 -2.68 0.15 0.00 0.02 0.00 0.00 35.03 33.00 2w5k n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2w5k h PRO 42 N 8.45 0.31 -3.41 1.64 0.13 -1.94 -3.45 132.00 133.74 2w5k h PRO 42 Ca -0.48 -0.18 -0.16 0.00 -0.87 0.00 0.00 66.00 64.32 2w5k h PRO 42 Cb 1.26 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 2w5k h PRO 42 CO 0.93 0.74 -0.49 0.54 -0.23 0.00 0.00 178.00 179.50 2w5k s VAL 43 N -4.00 0.05 -0.08 1.56 0.11 -1.26 -1.63 120.40 115.15 2w5k s VAL 43 Ca -0.05 -0.42 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 2w5k s VAL 43 Cb 0.12 -0.37 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 2w5k s VAL 43 CO 0.80 -0.23 0.58 0.21 -3.33 0.00 0.00 175.10 173.13 2w5k s ASN 44 N -0.81 -0.55 -0.06 3.54 2.47 -0.67 -5.01 114.94 113.84 2w5k s ASN 44 Ca -0.09 0.70 0.05 0.00 0.42 0.00 0.00 52.86 53.94 2w5k s ASN 44 Cb -0.05 0.65 -0.02 0.00 -1.45 0.00 0.00 41.25 40.38 2w5k s ASN 44 CO 0.01 -0.48 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.81 2w5k s THR 45 N -0.88 2.42 -0.04 -5.21 2.01 -1.26 -0.46 115.64 112.22 2w5k s THR 45 Ca -0.09 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2w5k s THR 45 Cb -0.02 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2w5k s THR 45 CO 0.07 0.57 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.16 2w5k s PHE 46 N -0.28 2.98 -0.15 4.92 0.08 -0.13 -4.48 117.98 120.92 2w5k s PHE 46 Ca 0.01 0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 2w5k s PHE 46 Cb -0.13 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2w5k s PHE 46 CO 0.03 0.39 -0.10 0.08 -0.10 0.00 0.00 175.22 175.51 2w5k s VAL 47 N -0.92 3.26 -0.93 -0.44 1.01 0.23 -0.56 120.40 122.05 2w5k s VAL 47 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2w5k s VAL 47 Cb -0.11 -2.40 0.33 0.00 0.00 0.00 0.00 36.38 34.19 2w5k s VAL 47 CO 0.05 0.51 1.64 1.41 0.00 0.00 0.00 175.10 178.71 2w5k n HIS 48 N 3.68 3.05 -4.36 5.22 -0.00 -0.01 -1.35 115.22 121.46 2w5k n HIS 48 Ca -0.18 -2.86 -0.18 0.00 -0.00 0.00 0.00 57.72 54.50 2w5k n HIS 48 Cb 0.52 -1.04 -0.10 0.00 -0.00 0.00 0.00 29.99 29.37 2w5k n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2w5k s GLU 49 N -4.15 1.47 0.68 -0.41 0.41 -1.26 -4.62 118.70 110.82 2w5k s GLU 49 Ca 0.41 -1.79 -0.15 0.00 -0.41 0.00 0.00 54.97 53.03 2w5k s GLU 49 Cb 0.22 -0.48 0.01 0.00 -1.78 0.00 0.00 34.13 32.09 2w5k s GLU 49 CO -0.14 -0.24 1.12 -1.54 -0.49 0.00 0.00 175.26 173.98 2w5k s SER 50 N -3.36 4.92 0.26 -0.19 1.04 -1.26 -4.34 113.70 110.76 2w5k s SER 50 Ca 0.36 2.04 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 2w5k s SER 50 Cb 0.08 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.94 2w5k s SER 50 CO 0.13 -1.76 1.90 0.25 0.98 0.00 0.00 173.24 174.75 2w5k h LEU 51 N -0.11 1.07 -0.61 2.42 5.85 -2.00 -2.47 115.31 119.46 2w5k h LEU 51 Ca -0.47 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.23 2w5k h LEU 51 Cb 1.25 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2w5k h LEU 51 CO 0.53 0.82 0.34 0.00 -0.34 0.00 0.00 178.44 179.80 2w5k h ALA 52 N 1.36 0.80 -0.20 1.25 0.00 -2.00 -0.25 119.26 120.23 2w5k h ALA 52 Ca 0.32 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2w5k h ALA 52 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2w5k h ALA 52 CO -0.06 0.03 -0.30 -0.44 0.00 0.00 0.00 179.25 178.48 2w5k h ASP 53 N 0.65 0.40 -0.07 0.00 3.32 -1.83 -2.05 116.42 116.85 2w5k h ASP 53 Ca 0.27 -0.14 -0.24 0.00 0.02 0.00 0.00 57.03 56.93 2w5k h ASP 53 Cb 0.13 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.58 2w5k h ASP 53 CO -0.15 0.69 -0.90 0.58 -1.72 0.00 0.00 179.24 177.74 2w5k h VAL 54 N 0.35 1.29 -0.22 -1.35 2.07 -1.08 -3.17 116.25 114.13 2w5k h VAL 54 Ca 0.05 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 2w5k h VAL 54 Cb 0.71 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2w5k h VAL 54 CO 0.05 0.66 0.05 1.56 0.02 0.00 0.00 177.57 179.92 2w5k h GLN 55 N 0.43 0.31 0.00 1.57 4.20 -0.89 -2.20 115.11 118.52 2w5k h GLN 55 Ca -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2w5k h GLN 55 Cb 1.55 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 2w5k h GLN 55 CO 0.18 0.29 -0.02 0.00 -0.67 0.00 0.00 178.83 178.61 2w5k h ALA 56 N 1.75 1.07 0.00 3.87 0.00 -1.34 -2.56 119.26 122.05 2w5k h ALA 56 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2w5k h ALA 56 Cb 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2w5k h ALA 56 CO -0.00 0.03 -0.00 0.28 0.00 0.00 0.00 179.25 179.55 2w5k h VAL 57 N 0.00 0.60 0.00 0.00 2.07 -1.46 -2.06 116.25 115.40 2w5k h VAL 57 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2w5k h VAL 57 Cb 0.23 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2w5k h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2w5k n SER 59 N -1.48 3.22 0.00 0.00 3.41 -0.77 -5.01 113.62 112.98 2w5k n SER 59 Ca 0.03 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 2w5k n SER 59 Cb 0.12 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2w5k n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w5k n GLN 60 N 0.05 2.52 -2.68 4.33 6.02 -0.43 -5.00 117.38 122.19 2w5k n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 2w5k n GLN 60 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 2w5k n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2w5k s LYS 61 N 4.75 4.00 -0.05 -1.09 2.20 -1.02 -4.86 119.74 123.67 2w5k s LYS 61 Ca 0.00 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 2w5k s LYS 61 Cb 0.00 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2w5k s LYS 61 CO 0.00 -0.94 1.28 1.21 -0.36 0.00 0.00 175.35 176.54 2w5k s ASN 62 N 1.76 6.97 0.12 1.43 3.04 -1.26 -0.34 114.94 126.66 2w5k s ASN 62 Ca 0.44 1.90 0.02 0.00 0.04 0.00 0.00 52.86 55.26 2w5k s ASN 62 Cb -0.12 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 2w5k s ASN 62 CO 0.17 -0.65 -0.05 0.68 -3.04 0.00 0.00 177.10 174.21 2w5k s VAL 63 N 2.46 0.74 0.25 -5.21 -7.23 -0.40 -4.94 120.40 106.06 2w5k s VAL 63 Ca 0.59 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2w5k s VAL 63 Cb -0.27 -1.82 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 2w5k s VAL 63 CO 0.23 -0.75 1.25 0.00 -0.31 0.00 0.00 175.10 175.52 2w5k s ALA 64 N -3.60 3.48 0.60 1.32 0.00 -1.26 -3.34 121.76 118.96 2w5k s ALA 64 Ca 0.16 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 2w5k s ALA 64 Cb 0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2w5k s ALA 64 CO -0.02 -0.46 1.08 0.00 0.00 0.00 0.00 175.76 176.36 2w5k h LYS 66 N 0.42 0.20 -0.02 0.00 1.57 -1.93 -0.90 116.57 115.91 2w5k h LYS 66 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2w5k h LYS 66 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2w5k h LYS 66 CO 0.56 0.13 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 2w5k n ASN 67 N -4.42 0.43 0.00 0.86 0.23 -1.26 -4.92 115.26 106.18 2w5k n ASN 67 Ca 0.13 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 2w5k n ASN 67 Cb 0.62 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2w5k n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2w5k n GLY 68 N 1.00 1.46 3.77 4.83 0.00 -0.34 -5.07 105.19 110.83 2w5k n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2w5k n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w5k s GLN 69 N -0.49 2.25 -0.03 1.61 -0.21 -1.26 -4.80 119.66 116.73 2w5k s GLN 69 Ca 0.00 1.12 0.17 0.00 0.02 0.00 0.00 55.36 56.67 2w5k s GLN 69 Cb 0.00 -1.90 0.52 0.00 1.00 0.00 0.00 33.01 32.63 2w5k s GLN 69 CO 0.00 -1.64 1.44 0.25 -2.12 0.00 0.00 175.29 173.22 2w5k n THR 70 N -3.51 1.21 -1.30 -0.19 -2.24 -1.26 -1.24 114.28 105.75 2w5k n THR 70 Ca 0.09 -1.08 -0.29 0.00 -2.27 0.00 0.00 64.05 60.50 2w5k n THR 70 Cb 0.53 0.40 0.13 0.00 -2.10 0.00 0.00 70.33 69.29 2w5k n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2w5k n ASN 71 N 1.01 5.59 -4.77 3.42 6.94 -1.26 -4.74 115.26 121.46 2w5k n ASN 71 Ca 0.20 -3.70 -0.30 0.00 -0.02 0.00 0.00 54.58 50.75 2w5k n ASN 71 Cb 0.61 -0.89 -0.07 0.00 -2.36 0.00 0.00 39.78 37.07 2w5k n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2w5k s TYR 73 N -1.39 0.30 -0.15 0.00 1.51 0.10 -1.27 117.35 116.45 2w5k s TYR 73 Ca 0.29 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.26 2w5k s TYR 73 Cb -0.12 -0.24 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 2w5k s TYR 73 CO 0.22 -0.04 0.01 -1.14 -1.11 0.00 0.00 175.55 173.49 2w5k s GLN 74 N 0.19 3.63 0.32 -0.62 0.74 0.54 -1.46 119.66 123.00 2w5k s GLN 74 Ca -0.02 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 2w5k s GLN 74 Cb -0.04 -2.99 -0.10 0.00 1.10 0.00 0.00 33.01 30.97 2w5k s GLN 74 CO -0.00 0.36 1.38 -1.54 -0.55 0.00 0.00 175.29 174.93 2w5k s SER 75 N 0.08 6.66 0.22 6.67 1.04 -0.41 -2.42 113.70 125.53 2w5k s SER 75 Ca 0.02 2.75 -0.02 0.00 0.48 0.00 0.00 55.95 59.19 2w5k s SER 75 Cb -0.13 -2.65 0.22 0.00 0.10 0.00 0.00 66.02 63.56 2w5k s SER 75 CO 0.02 -0.64 1.60 1.88 0.98 0.00 0.00 173.24 177.07 2w5k h TYR 76 N 3.73 0.68 -2.22 5.02 0.05 -1.96 -3.43 116.97 118.84 2w5k h TYR 76 Ca -0.49 -0.19 -0.46 0.00 0.05 0.00 0.00 58.73 57.64 2w5k h TYR 76 Cb 1.23 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 2w5k h TYR 76 CO 0.56 0.88 -0.42 -1.12 -1.05 0.00 0.00 178.16 177.02 2w5k s SER 77 N -6.85 6.31 0.58 3.88 0.01 -1.26 -5.08 113.70 111.29 2w5k s SER 77 Ca -0.08 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 2w5k s SER 77 Cb 0.12 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 2w5k s SER 77 CO 0.82 -0.09 1.05 0.42 0.41 0.00 0.00 173.24 175.86 2w5k s THR 78 N -2.00 3.85 0.10 1.44 -4.23 -1.26 -4.56 115.64 108.97 2w5k s THR 78 Ca 0.35 0.91 0.05 0.00 -1.18 0.00 0.00 61.69 61.81 2w5k s THR 78 Cb -0.09 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2w5k s THR 78 CO 0.29 -0.48 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.72 2w5k s MET 79 N -3.97 0.91 -0.19 3.99 -1.94 0.16 -4.88 119.30 113.38 2w5k s MET 79 Ca 0.64 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 53.20 2w5k s MET 79 Cb -0.16 -0.78 -0.00 0.00 2.01 0.00 0.00 34.83 35.90 2w5k s MET 79 CO 0.34 0.15 1.11 0.45 -0.01 0.00 0.00 175.02 177.07 2w5k s SER 80 N -2.23 7.07 0.15 3.03 0.15 -1.26 -1.52 113.70 119.08 2w5k s SER 80 Ca 0.05 1.51 0.05 0.00 0.70 0.00 0.00 55.95 58.26 2w5k s SER 80 Cb -0.06 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2w5k s SER 80 CO 0.02 -0.67 -0.12 0.27 1.20 0.00 0.00 173.24 173.95 2w5k s ILE 81 N 3.10 1.28 -0.13 6.45 -4.36 -0.47 -0.83 121.20 126.24 2w5k s ILE 81 Ca 0.48 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2w5k s ILE 81 Cb -0.18 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 41.78 2w5k s ILE 81 CO 0.11 -0.63 -0.18 -0.89 0.24 0.00 0.00 174.94 173.59 2w5k s THR 82 N -2.92 1.74 -0.04 8.37 2.01 0.27 -1.56 115.64 123.51 2w5k s THR 82 Ca 0.15 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 2w5k s THR 82 Cb -0.00 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 2w5k s THR 82 CO 0.02 0.49 0.48 -1.81 -0.69 0.00 0.00 174.62 173.11 2w5k s ASP 83 N 1.06 6.80 -0.16 3.53 1.01 0.20 -0.95 116.67 128.16 2w5k s ASP 83 Ca -0.03 0.95 -0.00 0.00 0.71 0.00 0.00 52.55 54.17 2w5k s ASP 83 Cb -0.14 -2.29 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 2w5k s ASP 83 CO -0.05 0.15 -0.13 0.00 0.21 0.00 0.00 175.17 175.35 2w5k s ARG 85 N 0.82 1.16 0.15 0.00 3.52 -1.05 -1.67 118.95 121.87 2w5k s ARG 85 Ca -0.05 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 54.94 2w5k s ARG 85 Cb -0.15 -1.04 -0.09 0.00 -1.56 0.00 0.00 34.95 32.11 2w5k s ARG 85 CO 0.00 0.06 1.45 -2.00 -0.81 0.00 0.00 175.30 174.00 2w5k s GLU 86 N 0.45 4.29 0.72 5.12 2.12 -0.65 -1.25 118.70 129.51 2w5k s GLU 86 Ca -0.08 2.18 -0.09 0.00 0.36 0.00 0.00 54.97 57.35 2w5k s GLU 86 Cb -0.12 -3.20 0.05 0.00 0.26 0.00 0.00 34.13 31.12 2w5k s GLU 86 CO 0.01 -0.48 1.06 0.95 -0.54 0.00 0.00 175.26 176.26 2w5k s THR 87 N 0.96 2.52 0.18 -1.70 -4.23 -0.60 -4.88 115.64 107.88 2w5k s THR 87 Ca 0.65 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 2w5k s THR 87 Cb -0.39 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.42 2w5k s THR 87 CO 0.32 -0.14 1.79 1.23 -0.54 0.00 0.00 174.62 177.29 2w5k h GLY 88 N -0.68 0.90 1.82 3.99 0.00 -1.95 -2.99 103.07 104.16 2w5k h GLY 88 Ca -0.45 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 2w5k h GLY 88 CO 0.62 0.39 0.02 1.48 0.00 0.00 0.00 176.54 179.05 2w5k h SER 89 N 0.82 0.21 -1.86 0.19 4.64 -1.95 -3.45 113.55 112.15 2w5k h SER 89 Ca 0.21 -0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.85 2w5k h SER 89 Cb 0.04 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.11 2w5k h SER 89 CO -0.03 0.24 0.85 -0.24 -0.87 0.00 0.00 176.83 176.77 2w5k n SER 90 N -4.42 2.69 -3.70 4.97 2.88 -1.13 -4.99 113.62 109.93 2w5k n SER 90 Ca -0.00 1.05 -0.15 0.00 -1.33 0.00 0.00 58.87 58.44 2w5k n SER 90 Cb 0.15 -1.28 -0.15 0.00 -0.75 0.00 0.00 64.21 62.19 2w5k n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2w5k s LYS 91 N 2.57 0.09 0.26 -1.46 1.02 -1.17 -4.91 119.74 116.14 2w5k s LYS 91 Ca 0.90 0.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 2w5k s LYS 91 Cb -0.86 -0.19 -0.13 0.00 -0.52 0.00 0.00 37.83 36.13 2w5k s LYS 91 CO 0.52 -0.24 1.32 0.98 -0.92 0.00 0.00 175.35 177.01 2w5k n TYR 92 N 4.83 2.05 1.35 3.18 9.36 -1.26 -0.39 117.16 136.28 2w5k n TYR 92 Ca -0.15 0.50 0.09 0.00 3.32 0.00 0.00 57.90 61.67 2w5k n TYR 92 Cb 0.51 -2.42 0.35 0.00 -0.63 0.00 0.00 39.34 37.15 2w5k n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2w5k n PRO 93 N 1.53 1.57 -3.07 2.98 -0.04 -1.26 -4.99 135.00 131.73 2w5k n PRO 93 Ca 0.10 -0.86 -0.44 0.00 -0.04 0.00 0.00 63.50 62.26 2w5k n PRO 93 Cb 0.32 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2w5k n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2w5k n ASN 94 N 0.11 6.03 -4.76 3.54 4.13 0.48 -5.02 115.26 119.77 2w5k n ASN 94 Ca 0.14 -3.27 -0.40 0.00 1.68 0.00 0.00 54.58 52.73 2w5k n ASN 94 Cb 0.26 -1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 37.13 2w5k n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2w5k s ALA 96 N -1.12 0.57 0.04 0.00 0.00 -1.26 -4.97 121.76 115.02 2w5k s ALA 96 Ca 0.45 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.10 2w5k s ALA 96 Cb -0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2w5k s ALA 96 CO 0.40 0.13 -0.10 0.71 0.00 0.00 0.00 175.76 176.90 2w5k s TYR 97 N -0.27 0.85 0.02 0.00 1.51 -1.26 -1.56 117.35 116.64 2w5k s TYR 97 Ca 0.02 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 2w5k s TYR 97 Cb -0.03 -0.50 -0.06 0.00 -0.11 0.00 0.00 41.96 41.25 2w5k s TYR 97 CO -0.00 -0.02 0.46 0.21 -1.11 0.00 0.00 175.55 175.09 2w5k s LYS 98 N -1.33 4.02 -0.22 -0.62 2.20 -0.38 -4.64 119.74 118.77 2w5k s LYS 98 Ca -0.05 0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 56.02 2w5k s LYS 98 Cb -0.08 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2w5k s LYS 98 CO 0.01 0.66 0.05 0.99 -0.36 0.00 0.00 175.35 176.70 2w5k s THR 99 N -1.05 4.36 -0.07 3.43 2.01 -1.26 -2.54 115.64 120.51 2w5k s THR 99 Ca 0.25 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2w5k s THR 99 Cb -0.18 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.35 2w5k s THR 99 CO 0.15 0.39 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.50 2w5k s THR 100 N 1.15 0.93 -0.01 -0.82 2.01 -0.82 -5.00 115.64 113.07 2w5k s THR 100 Ca 0.04 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 2w5k s THR 100 Cb -0.14 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2w5k s THR 100 CO 0.03 0.32 0.32 -1.58 -0.69 0.00 0.00 174.62 173.02 2w5k s GLN 101 N 1.09 3.71 0.18 4.92 2.00 -1.26 -0.63 119.66 129.68 2w5k s GLN 101 Ca -0.07 0.15 -0.11 0.00 -2.00 0.00 0.00 55.36 53.33 2w5k s GLN 101 Cb -0.14 -3.15 -0.00 0.00 0.80 0.00 0.00 33.01 30.51 2w5k s GLN 101 CO -0.01 0.68 0.34 0.00 -0.50 0.00 0.00 175.29 175.81 2w5k s ALA 102 N -1.16 -0.16 -0.26 1.58 0.00 -0.60 -4.99 121.76 116.17 2w5k s ALA 102 Ca 0.24 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2w5k s ALA 102 Cb -0.14 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.93 2w5k s ALA 102 CO 0.12 -0.69 -0.10 -0.80 0.00 0.00 0.00 175.76 174.29 2w5k s ASN 103 N -2.96 4.39 0.14 0.00 -0.87 -1.26 -1.37 114.94 113.00 2w5k s ASN 103 Ca 0.17 -1.40 -0.05 0.00 -1.57 0.00 0.00 52.86 50.01 2w5k s ASN 103 Cb 0.02 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.25 39.72 2w5k s ASN 103 CO 0.01 -0.20 0.17 -0.54 -2.57 0.00 0.00 177.10 173.96 2w5k s LYS 104 N 1.13 1.01 0.33 -0.60 1.02 -0.58 -4.82 119.74 117.23 2w5k s LYS 104 Ca -0.08 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 54.38 2w5k s LYS 104 Cb -0.20 0.31 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 2w5k s LYS 104 CO -0.05 -0.33 1.04 -1.01 -0.92 0.00 0.00 175.35 174.08 2w5k s HIS 105 N -3.99 3.50 0.11 3.18 3.76 -0.14 -0.66 115.29 121.05 2w5k s HIS 105 Ca 0.18 1.71 0.04 0.00 -0.15 0.00 0.00 55.06 56.84 2w5k s HIS 105 Cb 0.05 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 2w5k s HIS 105 CO -0.01 -0.37 0.06 0.96 -0.85 0.00 0.00 174.74 174.53 2w5k s ILE 106 N -1.44 4.29 -0.14 0.60 -4.36 -1.26 -1.12 121.20 117.77 2w5k s ILE 106 Ca 0.51 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 2w5k s ILE 106 Cb -0.25 -3.09 0.02 0.00 1.25 0.00 0.00 42.46 40.38 2w5k s ILE 106 CO 0.32 0.06 -0.17 -0.63 0.24 0.00 0.00 174.94 174.76 2w5k s ILE 107 N -1.46 1.75 0.13 8.37 1.01 0.17 -1.29 121.20 129.89 2w5k s ILE 107 Ca 0.28 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.24 2w5k s ILE 107 Cb -0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2w5k s ILE 107 CO 0.21 0.49 -0.19 0.68 0.00 0.00 0.00 174.94 176.12 2w5k s VAL 108 N 1.17 1.74 -0.04 2.92 -7.23 -0.53 -0.70 120.40 117.73 2w5k s VAL 108 Ca -0.01 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 2w5k s VAL 108 Cb -0.14 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2w5k s VAL 108 CO -0.07 -0.19 0.39 0.00 -0.31 0.00 0.00 175.10 174.93 2w5k s ALA 109 N -1.59 3.67 0.08 1.32 0.00 -0.35 -0.72 121.76 124.17 2w5k s ALA 109 Ca 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.90 2w5k s ALA 109 Cb -0.08 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 2w5k s ALA 109 CO 0.05 0.39 -0.24 0.00 0.00 0.00 0.00 175.76 175.96 2w5k s GLU 111 N -1.56 1.09 0.00 0.00 2.02 -0.81 -4.91 118.70 114.53 2w5k s GLU 111 Ca 0.10 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2w5k s GLU 111 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2w5k s GLU 111 CO 0.03 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2w5k n GLY 112 N -0.22 1.33 2.82 -1.39 0.00 -1.26 -2.15 105.19 104.32 2w5k n GLY 112 Ca -0.14 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 2w5k n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2w5k s ASN 113 N 0.00 3.62 0.74 1.61 2.47 -1.26 -2.64 114.94 119.48 2w5k s ASN 113 Ca 0.00 -1.23 -0.13 0.00 0.42 0.00 0.00 52.86 51.92 2w5k s ASN 113 Cb 0.00 -0.92 0.04 0.00 -1.45 0.00 0.00 41.25 38.92 2w5k s ASN 113 CO 0.00 -0.31 1.12 -2.16 -3.72 0.00 0.00 177.10 172.03 2w5k s PRO 114 N 1.59 2.32 -0.49 0.43 0.04 -1.26 -5.11 135.00 132.52 2w5k s PRO 114 Ca 0.01 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 2w5k s PRO 114 Cb -0.18 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2w5k s PRO 114 CO -0.12 -1.62 0.89 -0.47 0.04 0.00 0.00 177.00 175.72 2w5k s TYR 115 N -2.51 2.90 0.11 0.56 5.04 -1.08 -4.89 117.35 117.48 2w5k s TYR 115 Ca 0.66 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2w5k s TYR 115 Cb -0.21 -3.93 -0.04 0.00 0.35 0.00 0.00 41.96 38.13 2w5k s TYR 115 CO 0.49 -1.15 -0.06 0.14 -1.34 0.00 0.00 175.55 173.62 2w5k s VAL 116 N 3.69 0.74 0.22 3.14 -7.23 -0.91 -4.89 120.40 115.17 2w5k s VAL 116 Ca 0.33 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2w5k s VAL 116 Cb -0.11 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 2w5k s VAL 116 CO 0.23 -0.82 1.40 -2.84 -0.31 0.00 0.00 175.10 172.76 2w5k s PRO 117 N -3.83 4.31 0.00 4.82 0.02 -1.26 -1.92 135.00 137.13 2w5k s PRO 117 Ca 0.14 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2w5k s PRO 117 Cb 0.05 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2w5k s PRO 117 CO -0.03 -0.37 0.00 1.33 -0.33 0.00 0.00 177.00 177.59 2w5k n VAL 118 N 2.57 0.00 -3.82 3.83 0.24 0.04 -4.59 118.33 116.61 2w5k n VAL 118 Ca 0.07 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2w5k n VAL 118 Cb 0.41 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.20 2w5k n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2w5k s HIS 119 N -1.51 -0.05 -0.28 6.34 3.76 -1.19 -4.58 115.29 117.77 2w5k s HIS 119 Ca 0.00 0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 2w5k s HIS 119 Cb 0.00 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.66 2w5k s HIS 119 CO 0.00 -0.36 0.20 0.12 -0.85 0.00 0.00 174.74 173.85 2w5k s PHE 120 N -1.56 3.22 -0.23 1.40 2.19 -1.26 -1.21 117.98 120.52 2w5k s PHE 120 Ca -0.13 0.12 -0.15 0.00 0.33 0.00 0.00 56.93 57.11 2w5k s PHE 120 Cb -0.06 -2.39 -0.17 0.00 -1.31 0.00 0.00 43.02 39.09 2w5k s PHE 120 CO 0.02 -0.17 -0.03 -3.47 1.83 0.00 0.00 175.22 173.40 2w5k n ASP 121 N 5.07 1.94 -3.71 6.13 2.03 0.12 -4.97 116.55 123.17 2w5k n ASP 121 Ca -0.14 0.31 -0.04 0.00 0.52 0.00 0.00 54.79 55.44 2w5k n ASP 121 Cb 0.52 -0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 40.06 2w5k n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2w5k s ALA 122 N -2.46 -1.69 0.06 -1.67 0.00 -1.07 -4.96 121.76 109.97 2w5k s ALA 122 Ca -0.32 0.29 0.07 0.00 0.00 0.00 0.00 51.96 51.99 2w5k s ALA 122 Cb 0.10 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2w5k s ALA 122 CO 0.58 -0.98 -0.18 -1.54 0.00 0.00 0.00 175.76 173.63 2w5k s SER 123 N -2.86 2.18 0.00 0.00 1.04 -1.26 -0.66 113.70 112.15 2w5k s SER 123 Ca 0.11 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2w5k s SER 123 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2w5k s SER 123 CO 0.00 0.08 0.00 1.33 0.98 0.00 0.00 173.24 175.63