#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4p s GLU 2 N 0.00 4.35 0.63 1.97 2.12 -1.26 -5.01 118.70 121.50 1w4p s GLU 2 Ca 0.00 1.86 -0.14 0.00 0.36 0.00 0.00 54.97 57.05 1w4p s GLU 2 Cb 0.00 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1w4p s GLU 2 CO 0.00 -0.43 1.06 0.95 -0.54 0.00 0.00 175.26 176.30 1w4p s THR 3 N 1.74 3.87 0.29 -1.70 -4.23 -1.26 -4.86 115.64 109.49 1w4p s THR 3 Ca 0.61 0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 61.89 1w4p s THR 3 Cb -0.30 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.43 1w4p s THR 3 CO 0.27 -0.61 1.93 0.00 -0.54 0.00 0.00 174.62 175.67 1w4p h ALA 4 N 0.07 1.43 -0.39 3.99 0.00 -1.95 0.09 119.26 122.51 1w4p h ALA 4 Ca -0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1w4p h ALA 4 Cb 1.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1w4p h ALA 4 CO 0.57 0.48 0.17 0.00 0.00 0.00 0.00 179.25 180.47 1w4p h ALA 5 N 1.47 0.50 -0.40 0.00 0.00 -1.90 -0.64 119.26 118.29 1w4p h ALA 5 Ca 0.37 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1w4p h ALA 5 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1w4p h ALA 5 CO -0.12 0.08 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 1w4p h ALA 6 N 1.02 1.04 -0.48 0.00 0.00 -1.74 -2.43 119.26 116.66 1w4p h ALA 6 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1w4p h ALA 6 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1w4p h ALA 6 CO -0.01 0.58 -0.04 -0.22 0.00 0.00 0.00 179.25 179.56 1w4p h LYS 7 N 0.64 0.82 -0.45 0.00 3.64 -0.68 -1.36 116.57 119.19 1w4p h LYS 7 Ca 0.11 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1w4p h LYS 7 Cb 0.58 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1w4p h LYS 7 CO 0.04 0.85 0.18 0.35 -2.27 0.00 0.00 179.45 178.59 1w4p h PHE 8 N 0.76 0.70 -0.77 1.91 3.04 -0.76 -0.48 116.94 121.33 1w4p h PHE 8 Ca 0.14 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1w4p h PHE 8 Cb 0.51 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1w4p h PHE 8 CO 0.03 0.60 0.34 0.93 -2.02 0.00 0.00 178.31 178.19 1w4p h GLU 9 N 0.59 1.13 -0.52 1.11 5.08 -1.13 0.46 114.58 121.31 1w4p h GLU 9 Ca 0.15 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1w4p h GLU 9 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1w4p h GLU 9 CO -0.01 0.90 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.77 1w4p h ARG 10 N 1.11 0.95 0.04 2.33 2.43 -1.01 -2.25 114.38 117.96 1w4p h ARG 10 Ca 0.26 -0.32 -0.26 0.00 -0.81 0.00 0.00 59.98 58.85 1w4p h ARG 10 Cb 0.16 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1w4p h ARG 10 CO -0.03 0.98 -1.35 1.96 -1.51 0.00 0.00 179.97 180.03 1w4p h GLN 11 N 0.82 0.08 0.00 0.20 4.20 -0.88 -3.42 115.11 116.10 1w4p h GLN 11 Ca 0.14 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1w4p h GLN 11 Cb 0.58 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1w4p h GLN 11 CO 0.04 0.90 0.00 0.72 -0.67 0.00 0.00 178.83 179.81 1w4p n HIS 12 N -3.30 0.00 -4.29 2.96 8.25 0.16 -4.65 115.22 114.35 1w4p n HIS 12 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 1w4p n HIS 12 Cb 1.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.99 1w4p n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1w4p s MET 13 N -0.13 3.69 -0.46 -0.41 -1.94 -0.85 0.03 119.30 119.24 1w4p s MET 13 Ca 0.00 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 1w4p s MET 13 Cb 0.00 -2.98 0.21 0.00 2.01 0.00 0.00 34.83 34.07 1w4p s MET 13 CO 0.00 0.20 0.65 -3.47 -0.01 0.00 0.00 175.02 172.39 1w4p n ASP 14 N 3.68 -1.92 0.14 3.03 2.03 -0.82 -4.83 116.55 117.86 1w4p n ASP 14 Ca -0.17 -2.86 0.13 0.00 0.52 0.00 0.00 54.79 52.40 1w4p n ASP 14 Cb 0.52 0.79 0.47 0.00 -0.72 0.00 0.00 41.12 42.18 1w4p n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1w4p h SER 15 N 4.65 0.00 0.09 1.67 0.02 -1.75 -3.26 113.55 114.97 1w4p h SER 15 Ca 0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1w4p h SER 15 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1w4p h SER 15 CO 0.27 0.00 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.51 1w4p h SER 16 N 0.00 0.17 -3.32 3.07 0.87 -1.93 -3.42 113.55 108.99 1w4p h SER 16 Ca 0.00 -0.04 -0.63 0.00 -1.23 0.00 0.00 61.79 59.89 1w4p h SER 16 Cb 0.52 -0.04 -0.21 0.00 -0.44 0.00 0.00 62.40 62.23 1w4p h SER 16 CO 0.00 0.36 -0.64 0.42 -0.53 0.00 0.00 176.83 176.43 1w4p s THR 17 N -4.64 4.09 0.29 2.23 -4.23 -1.23 -4.99 115.64 107.15 1w4p s THR 17 Ca -0.05 -0.28 0.20 0.00 -1.18 0.00 0.00 61.69 60.37 1w4p s THR 17 Cb 0.15 -2.81 0.17 0.00 1.34 0.00 0.00 72.50 71.35 1w4p s THR 17 CO 0.73 0.48 1.85 0.77 -0.54 0.00 0.00 174.62 177.91 1w4p h SER 18 N 6.82 0.00 0.00 3.99 4.64 -1.87 -3.34 113.55 123.79 1w4p h SER 18 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1w4p h SER 18 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1w4p h SER 18 CO 0.64 0.30 -0.20 0.00 -0.87 0.00 0.00 176.83 176.70 1w4p n ALA 19 N -2.33 1.77 0.00 5.18 0.00 -1.26 -4.84 120.51 119.03 1w4p n ALA 19 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1w4p n ALA 19 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1w4p n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w4p n ALA 20 N 0.00 0.00 -1.19 0.00 0.00 -1.25 -4.87 120.51 113.19 1w4p n ALA 20 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1w4p n ALA 20 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1w4p n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1w4p n SER 21 N 1.78 -6.72 -1.36 0.00 3.41 -1.26 -4.92 113.62 104.54 1w4p n SER 21 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1w4p n SER 21 Cb 0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 64.21 60.17 1w4p n SER 21 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1w4p n SER 22 N -4.31 -6.71 0.00 4.04 2.88 -1.26 -4.21 113.62 104.06 1w4p n SER 22 Ca -0.01 0.89 0.05 0.00 -1.33 0.00 0.00 58.87 58.46 1w4p n SER 22 Cb 0.64 -3.28 0.22 0.00 -0.75 0.00 0.00 64.21 61.03 1w4p n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1w4p n SER 23 N 0.68 0.00 0.00 -3.46 3.41 -1.26 -1.57 113.62 111.42 1w4p n SER 23 Ca 0.00 0.47 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 1w4p n SER 23 Cb 0.00 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1w4p n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1w4p n ASN 24 N -1.48 0.88 -0.37 4.04 3.02 -1.26 -4.55 115.26 115.54 1w4p n ASN 24 Ca 0.03 -0.82 -0.08 0.00 -0.03 0.00 0.00 54.58 53.67 1w4p n ASN 24 Cb 0.11 0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 1w4p n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1w4p n TYR 25 N -1.53 -0.32 -0.24 3.10 9.36 -0.61 -1.39 117.16 125.53 1w4p n TYR 25 Ca 0.04 1.11 -0.07 0.00 3.32 0.00 0.00 57.90 62.30 1w4p n TYR 25 Cb 0.34 -0.62 0.04 0.00 -0.63 0.00 0.00 39.34 38.48 1w4p n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1w4p h ASN 27 N 0.97 1.08 0.04 0.00 2.35 -1.48 -0.12 115.58 118.42 1w4p h ASN 27 Ca 0.22 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 1w4p h ASN 27 Cb 0.24 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 38.35 1w4p h ASN 27 CO -0.01 0.83 -0.81 1.56 -1.65 0.00 0.00 177.43 177.34 1w4p h GLN 28 N 1.25 0.49 -0.22 0.81 4.20 -0.92 -3.29 115.11 117.42 1w4p h GLN 28 Ca 0.33 -0.57 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 1w4p h GLN 28 Cb -0.06 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1w4p h GLN 28 CO -0.06 1.21 -0.61 0.52 -0.67 0.00 0.00 178.83 179.21 1w4p h MET 29 N 0.01 0.74 0.00 1.46 2.86 -0.48 -0.44 114.93 119.08 1w4p h MET 29 Ca -0.11 -0.50 -0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1w4p h MET 29 Cb 1.52 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 1w4p h MET 29 CO 0.16 1.13 -0.19 0.52 1.06 0.00 0.00 176.91 179.59 1w4p h MET 30 N 0.55 0.00 0.07 1.72 2.86 -1.17 -1.04 114.93 117.93 1w4p h MET 30 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1w4p h MET 30 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1w4p h MET 30 CO 0.13 0.19 -0.95 -0.22 1.06 0.00 0.00 176.91 177.11 1w4p h LYS 31 N 0.00 0.15 -0.35 1.72 3.64 -1.61 0.14 116.57 120.26 1w4p h LYS 31 Ca -0.00 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1w4p h LYS 31 Cb 0.34 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1w4p h LYS 31 CO 0.02 1.13 0.11 0.66 -2.27 0.00 0.00 179.45 179.10 1w4p h SER 32 N -0.60 0.46 -0.33 4.20 4.64 -0.95 -1.50 113.55 119.46 1w4p h SER 32 Ca -0.21 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1w4p h SER 32 Cb 1.48 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1w4p h SER 32 CO 0.01 0.45 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 1w4p n ARG 33 N -4.37 2.02 -3.66 4.77 5.12 -0.40 -4.93 116.66 115.21 1w4p n ARG 33 Ca 0.02 -1.30 -0.25 0.00 -1.93 0.00 0.00 57.85 54.39 1w4p n ARG 33 Cb 0.16 -1.39 0.06 0.00 -1.16 0.00 0.00 32.46 30.14 1w4p n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1w4p n ASN 34 N 0.48 -5.17 -0.87 0.55 3.02 -0.57 -4.80 115.26 107.90 1w4p n ASN 34 Ca 0.12 -0.63 0.12 0.00 -0.03 0.00 0.00 54.58 54.17 1w4p n ASN 34 Cb 0.38 -4.70 0.20 0.00 -0.61 0.00 0.00 39.78 35.05 1w4p n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1w4p n LEU 35 N -4.78 2.71 -0.16 3.41 4.77 0.47 -4.00 117.00 119.41 1w4p n LEU 35 Ca -0.04 -0.94 0.08 0.00 -0.03 0.00 0.00 56.01 55.09 1w4p n LEU 35 Cb 0.57 -0.03 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 1w4p n LEU 35 CO 0.67 0.47 0.51 0.35 -1.33 0.00 0.00 177.39 178.06 1w4p n THR 36 N 1.10 1.60 0.24 -5.08 -2.24 -1.15 -2.62 114.28 106.14 1w4p n THR 36 Ca 0.16 -1.95 -0.10 0.00 -2.27 0.00 0.00 64.05 59.89 1w4p n THR 36 Cb 0.54 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1w4p n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1w4p h LYS 37 N 0.04 -0.61 0.10 -0.78 3.64 -1.89 -3.37 116.57 113.71 1w4p h LYS 37 Ca -0.00 0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.14 1w4p h LYS 37 Cb 1.07 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1w4p h LYS 37 CO 0.00 -0.41 -1.34 -0.44 -2.27 0.00 0.00 179.45 174.99 1w4p h ASP 38 N -0.84 0.34 -5.05 4.20 5.19 -1.89 -3.49 116.42 114.87 1w4p h ASP 38 Ca -0.07 -0.40 0.05 0.00 -0.62 0.00 0.00 57.03 55.99 1w4p h ASP 38 Cb 0.49 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 1w4p h ASP 38 CO 0.11 1.33 0.29 0.00 -3.12 0.00 0.00 179.24 177.85 1w4p s ARG 39 N -2.65 1.90 -0.76 3.56 1.70 -1.26 -5.09 118.95 116.36 1w4p s ARG 39 Ca -0.05 -1.14 -0.24 0.00 -0.47 0.00 0.00 55.73 53.82 1w4p s ARG 39 Cb 0.07 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 35.09 1w4p s ARG 39 CO 0.86 -0.88 1.16 0.00 -1.08 0.00 0.00 175.30 175.36 1w4p n LYS 41 N 8.44 1.83 -0.28 0.00 4.81 -1.08 -4.85 118.16 127.03 1w4p n LYS 41 Ca 0.06 0.64 -0.09 0.00 -0.87 0.00 0.00 58.31 58.05 1w4p n LYS 41 Cb 0.48 -2.56 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 1w4p n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1w4p h PRO 42 N 9.71 -0.16 -3.49 1.64 0.11 -1.92 -3.44 132.00 134.44 1w4p h PRO 42 Ca -0.45 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 1w4p h PRO 42 Cb 1.29 0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.19 1w4p h PRO 42 CO 0.96 -0.10 -0.55 0.14 -0.21 0.00 0.00 178.00 178.24 1w4p s VAL 43 N -5.74 0.04 -0.19 3.15 -7.23 -1.26 -2.17 120.40 106.99 1w4p s VAL 43 Ca -0.14 -0.29 -0.20 0.00 -1.81 0.00 0.00 61.98 59.54 1w4p s VAL 43 Cb 0.13 -0.27 0.05 0.00 0.56 0.00 0.00 36.38 36.85 1w4p s VAL 43 CO 0.65 -0.16 0.55 0.21 -0.31 0.00 0.00 175.10 176.04 1w4p s ASN 44 N -0.51 -0.56 -0.06 4.85 2.47 -0.79 -5.00 114.94 115.34 1w4p s ASN 44 Ca -0.06 1.04 0.04 0.00 0.42 0.00 0.00 52.86 54.30 1w4p s ASN 44 Cb -0.04 1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 40.79 1w4p s ASN 44 CO 0.01 -0.23 -0.17 -0.89 -3.72 0.00 0.00 177.10 172.09 1w4p s THR 45 N 0.12 2.79 -0.12 -5.21 2.01 -1.26 -0.57 115.64 113.39 1w4p s THR 45 Ca -0.01 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 1w4p s THR 45 Cb -0.04 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1w4p s THR 45 CO 0.02 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.09 1w4p s PHE 46 N -0.43 2.95 -0.22 4.92 0.08 -0.35 -4.28 117.98 120.66 1w4p s PHE 46 Ca 0.05 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1w4p s PHE 46 Cb -0.12 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1w4p s PHE 46 CO 0.02 0.04 0.09 0.08 -0.10 0.00 0.00 175.22 175.34 1w4p s VAL 47 N 0.01 4.75 -1.09 -0.44 1.01 0.10 -0.90 120.40 123.84 1w4p s VAL 47 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1w4p s VAL 47 Cb -0.14 -3.18 0.30 0.00 0.00 0.00 0.00 36.38 33.36 1w4p s VAL 47 CO 0.03 0.39 1.57 1.41 0.00 0.00 0.00 175.10 178.50 1w4p n HIS 48 N 4.20 2.33 -4.06 5.22 -0.00 0.12 -1.94 115.22 121.09 1w4p n HIS 48 Ca -0.16 -2.58 -0.10 0.00 -0.00 0.00 0.00 57.72 54.88 1w4p n HIS 48 Cb 0.52 -1.30 -0.08 0.00 -0.00 0.00 0.00 29.99 29.13 1w4p n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1w4p s GLU 49 N -2.78 1.22 0.68 -0.41 0.41 -1.26 -4.44 118.70 112.13 1w4p s GLU 49 Ca 0.33 -1.36 -0.15 0.00 -0.41 0.00 0.00 54.97 53.38 1w4p s GLU 49 Cb 0.07 0.35 0.01 0.00 -1.78 0.00 0.00 34.13 32.78 1w4p s GLU 49 CO 0.07 -0.44 1.15 -1.54 -0.49 0.00 0.00 175.26 174.01 1w4p s SER 50 N -3.04 4.76 0.22 -0.19 1.04 -1.26 -4.29 113.70 110.93 1w4p s SER 50 Ca 0.25 2.15 -0.09 0.00 0.48 0.00 0.00 55.95 58.74 1w4p s SER 50 Cb 0.04 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.80 1w4p s SER 50 CO 0.06 -1.87 1.87 0.25 0.98 0.00 0.00 173.24 174.52 1w4p h LEU 51 N -0.06 0.83 -0.34 2.42 5.85 -1.99 -1.98 115.31 120.04 1w4p h LEU 51 Ca -0.47 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1w4p h LEU 51 Cb 1.27 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1w4p h LEU 51 CO 0.52 0.58 0.10 0.00 -0.34 0.00 0.00 178.44 179.31 1w4p h ALA 52 N 1.32 0.38 -0.97 1.25 0.00 -1.98 0.22 119.26 119.48 1w4p h ALA 52 Ca 0.30 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1w4p h ALA 52 Cb -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1w4p h ALA 52 CO -0.10 -0.29 0.61 -0.44 0.00 0.00 0.00 179.25 179.02 1w4p h ASP 53 N 0.24 1.14 -0.20 0.00 5.19 -1.78 -0.19 116.42 120.83 1w4p h ASP 53 Ca 0.16 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.36 1w4p h ASP 53 Cb 0.14 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1w4p h ASP 53 CO -0.17 0.85 -0.49 0.58 -3.12 0.00 0.00 179.24 176.89 1w4p h VAL 54 N 1.32 1.32 -0.34 -1.35 2.07 -0.83 -3.05 116.25 115.39 1w4p h VAL 54 Ca 0.35 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1w4p h VAL 54 Cb -0.10 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1w4p h VAL 54 CO -0.07 0.54 0.12 1.56 0.02 0.00 0.00 177.57 179.74 1w4p h GLN 55 N 0.38 0.47 0.00 1.57 4.20 -0.27 -1.76 115.11 119.70 1w4p h GLN 55 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1w4p h GLN 55 Cb 1.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1w4p h GLN 55 CO 0.11 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1w4p h ALA 56 N 1.67 1.00 0.00 3.87 0.00 -0.92 -2.31 119.26 122.57 1w4p h ALA 56 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1w4p h ALA 56 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1w4p h ALA 56 CO -0.01 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.44 1w4p h VAL 57 N 0.00 0.65 0.00 0.00 2.07 -1.32 -1.66 116.25 115.99 1w4p h VAL 57 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1w4p h VAL 57 Cb 0.17 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1w4p h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1w4p n SER 59 N -2.11 3.04 -0.02 0.00 2.88 -0.62 -4.99 113.62 111.80 1w4p n SER 59 Ca -0.01 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1w4p n SER 59 Cb 0.06 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1w4p n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w4p n GLN 60 N -0.18 3.20 -2.04 -1.46 6.02 0.01 -5.00 117.38 117.94 1w4p n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1w4p n GLN 60 Cb 0.58 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.81 1w4p n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1w4p s LYS 61 N 4.62 3.75 -0.18 -1.09 2.20 -1.03 -4.83 119.74 123.17 1w4p s LYS 61 Ca 0.00 1.74 -0.29 0.00 -0.36 0.00 0.00 55.97 57.06 1w4p s LYS 61 Cb 0.00 -4.08 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 1w4p s LYS 61 CO 0.00 -1.36 1.32 1.21 -0.36 0.00 0.00 175.35 176.16 1w4p s ASN 62 N 4.64 6.84 0.12 1.43 3.04 -1.26 0.19 114.94 129.93 1w4p s ASN 62 Ca 0.75 1.65 0.04 0.00 0.04 0.00 0.00 52.86 55.34 1w4p s ASN 62 Cb -0.27 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.87 1w4p s ASN 62 CO 0.31 -0.86 -0.10 0.68 -3.04 0.00 0.00 177.10 174.09 1w4p s VAL 63 N 3.78 1.05 0.32 -5.21 -7.23 0.06 -4.95 120.40 108.23 1w4p s VAL 63 Ca 0.57 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 1w4p s VAL 63 Cb -0.22 -1.57 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 1w4p s VAL 63 CO 0.18 -0.63 1.30 0.00 -0.31 0.00 0.00 175.10 175.64 1w4p s ALA 64 N -2.80 3.50 0.53 1.32 0.00 -1.26 -3.29 121.76 119.76 1w4p s ALA 64 Ca 0.10 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1w4p s ALA 64 Cb -0.01 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1w4p s ALA 64 CO 0.00 -0.63 0.98 0.00 0.00 0.00 0.00 175.76 176.12 1w4p h LYS 66 N 0.67 0.09 -0.01 0.00 1.57 -1.93 -0.13 116.57 116.84 1w4p h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1w4p h LYS 66 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1w4p h LYS 66 CO 0.62 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.83 1w4p n ASN 67 N -4.49 0.34 0.00 0.86 0.23 -1.26 -4.89 115.26 106.04 1w4p n ASN 67 Ca 0.01 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.90 1w4p n ASN 67 Cb 0.22 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1w4p n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1w4p n GLY 68 N 1.01 1.49 3.72 4.83 0.00 -0.06 -5.06 105.19 111.12 1w4p n GLY 68 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1w4p n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w4p s GLN 69 N -0.80 1.36 0.00 1.61 -1.52 -1.26 -4.73 119.66 114.32 1w4p s GLN 69 Ca 0.00 0.89 0.15 0.00 -1.95 0.00 0.00 55.36 54.45 1w4p s GLN 69 Cb 0.00 -1.82 0.37 0.00 -0.22 0.00 0.00 33.01 31.34 1w4p s GLN 69 CO 0.00 -2.19 1.28 0.25 -0.25 0.00 0.00 175.29 174.39 1w4p n THR 70 N -3.86 0.78 -1.14 -0.19 -2.24 -1.26 -1.21 114.28 105.16 1w4p n THR 70 Ca 0.07 -0.89 -0.28 0.00 -2.27 0.00 0.00 64.05 60.69 1w4p n THR 70 Cb 0.55 0.68 0.07 0.00 -2.10 0.00 0.00 70.33 69.53 1w4p n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1w4p n ASN 71 N 0.94 6.97 -4.66 3.42 6.94 -1.26 -4.75 115.26 122.86 1w4p n ASN 71 Ca 0.15 -3.51 -0.30 0.00 -0.02 0.00 0.00 54.58 50.90 1w4p n ASN 71 Cb 0.48 -0.99 -0.09 0.00 -2.36 0.00 0.00 39.78 36.82 1w4p n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w4p s TYR 73 N -1.24 0.37 -0.12 0.00 1.51 0.58 -0.76 117.35 117.69 1w4p s TYR 73 Ca 0.24 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1w4p s TYR 73 Cb -0.12 -0.24 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1w4p s TYR 73 CO 0.16 -0.03 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.40 1w4p s GLN 74 N -0.36 3.33 0.27 -0.62 0.74 0.13 -1.31 119.66 121.84 1w4p s GLN 74 Ca -0.01 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 1w4p s GLN 74 Cb -0.03 -2.84 -0.10 0.00 1.10 0.00 0.00 33.01 31.15 1w4p s GLN 74 CO -0.00 0.45 1.26 -1.54 -0.55 0.00 0.00 175.29 174.91 1w4p s SER 75 N -0.19 6.92 0.23 6.67 1.04 -0.32 -2.46 113.70 125.59 1w4p s SER 75 Ca 0.04 2.50 0.02 0.00 0.48 0.00 0.00 55.95 58.99 1w4p s SER 75 Cb -0.13 -2.63 0.25 0.00 0.10 0.00 0.00 66.02 63.61 1w4p s SER 75 CO 0.02 -0.45 1.58 1.88 0.98 0.00 0.00 173.24 177.26 1w4p h TYR 76 N 4.17 0.48 -2.49 5.02 0.05 -1.96 -3.43 116.97 118.81 1w4p h TYR 76 Ca -0.47 -0.16 -0.53 0.00 0.05 0.00 0.00 58.73 57.62 1w4p h TYR 76 Cb 1.22 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 1w4p h TYR 76 CO 0.59 0.82 -0.48 -1.12 -1.05 0.00 0.00 178.16 176.91 1w4p s SER 77 N -6.89 6.12 0.55 3.88 0.01 -1.26 -5.05 113.70 111.06 1w4p s SER 77 Ca -0.06 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 1w4p s SER 77 Cb 0.12 -1.78 -0.06 0.00 0.21 0.00 0.00 66.02 64.51 1w4p s SER 77 CO 0.81 0.03 1.02 0.42 0.41 0.00 0.00 173.24 175.92 1w4p s THR 78 N -1.81 4.23 0.11 1.44 -4.23 -1.26 -4.56 115.64 109.55 1w4p s THR 78 Ca 0.34 1.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.97 1w4p s THR 78 Cb -0.10 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1w4p s THR 78 CO 0.27 -0.62 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.56 1w4p s MET 79 N -4.08 0.99 -0.14 3.99 -1.94 0.43 -4.88 119.30 113.68 1w4p s MET 79 Ca 0.61 -1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 1w4p s MET 79 Cb -0.13 -0.91 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 1w4p s MET 79 CO 0.34 0.18 1.07 0.45 -0.01 0.00 0.00 175.02 177.05 1w4p s SER 80 N -2.32 7.14 0.26 3.03 0.15 -1.26 -1.97 113.70 118.73 1w4p s SER 80 Ca 0.07 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1w4p s SER 80 Cb -0.06 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1w4p s SER 80 CO 0.03 -0.56 0.10 0.27 1.20 0.00 0.00 173.24 174.28 1w4p s ILE 81 N 2.50 0.54 -0.06 6.45 -4.36 -0.24 0.11 121.20 126.13 1w4p s ILE 81 Ca 0.49 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1w4p s ILE 81 Cb -0.19 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.92 1w4p s ILE 81 CO 0.15 0.00 0.06 -0.89 0.24 0.00 0.00 174.94 174.50 1w4p s THR 82 N -3.76 -0.04 -0.07 8.37 2.01 -0.08 -1.77 115.64 120.30 1w4p s THR 82 Ca 0.38 0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.56 1w4p s THR 82 Cb 0.08 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1w4p s THR 82 CO 0.14 0.14 0.36 -1.81 -0.69 0.00 0.00 174.62 172.76 1w4p s ASP 83 N 2.14 6.66 -0.24 3.53 1.01 -0.07 -1.21 116.67 128.49 1w4p s ASP 83 Ca 0.05 0.78 -0.03 0.00 0.71 0.00 0.00 52.55 54.06 1w4p s ASP 83 Cb -0.12 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1w4p s ASP 83 CO -0.04 0.23 -0.05 0.00 0.21 0.00 0.00 175.17 175.52 1w4p s ARG 85 N 1.38 3.13 0.28 0.00 3.52 -1.14 -1.88 118.95 124.24 1w4p s ARG 85 Ca 0.02 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.51 1w4p s ARG 85 Cb -0.16 -2.47 -0.10 0.00 -1.56 0.00 0.00 34.95 30.66 1w4p s ARG 85 CO -0.04 0.08 1.43 -2.00 -0.81 0.00 0.00 175.30 173.96 1w4p s GLU 86 N 0.61 4.26 1.14 5.12 2.12 -0.92 -0.62 118.70 130.40 1w4p s GLU 86 Ca -0.11 2.33 -0.19 0.00 0.36 0.00 0.00 54.97 57.36 1w4p s GLU 86 Cb -0.16 -3.08 0.27 0.00 0.26 0.00 0.00 34.13 31.42 1w4p s GLU 86 CO 0.03 -0.40 1.22 0.95 -0.54 0.00 0.00 175.26 176.52 1w4p s THR 87 N -0.38 1.71 0.01 -1.70 -4.23 -0.23 -4.87 115.64 105.96 1w4p s THR 87 Ca 0.57 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1w4p s THR 87 Cb -0.42 -2.70 -0.26 0.00 1.34 0.00 0.00 72.50 70.45 1w4p s THR 87 CO 0.48 0.00 0.89 1.23 -0.54 0.00 0.00 174.62 176.68 1w4p h GLY 88 N -2.33 0.20 0.75 3.99 0.00 -1.95 -3.30 103.07 100.44 1w4p h GLY 88 Ca -0.43 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1w4p h GLY 88 CO 0.30 0.46 -0.04 -1.14 0.00 0.00 0.00 176.54 176.11 1w4p n SER 89 N -3.38 0.44 -4.67 0.19 3.41 -1.26 -4.87 113.62 103.49 1w4p n SER 89 Ca -0.14 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1w4p n SER 89 Cb 1.03 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1w4p n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1w4p s SER 90 N -2.23 6.55 -0.11 4.04 0.15 -1.24 -4.98 113.70 115.87 1w4p s SER 90 Ca 0.37 2.50 -0.01 0.00 0.70 0.00 0.00 55.95 59.51 1w4p s SER 90 Cb 0.21 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1w4p s SER 90 CO 0.41 -0.98 -0.06 -0.54 1.20 0.00 0.00 173.24 173.27 1w4p s LYS 91 N 3.87 1.38 0.38 5.44 -0.14 -1.23 -4.89 119.74 124.55 1w4p s LYS 91 Ca 0.80 -0.23 -0.26 0.00 -1.36 0.00 0.00 55.97 54.92 1w4p s LYS 91 Cb -0.39 -1.55 -0.12 0.00 -1.68 0.00 0.00 37.83 34.09 1w4p s LYS 91 CO 0.35 -0.29 1.05 0.98 -0.76 0.00 0.00 175.35 176.68 1w4p n TYR 92 N 4.97 1.35 1.67 3.18 9.36 -1.26 -0.64 117.16 135.80 1w4p n TYR 92 Ca -0.12 0.59 0.13 0.00 3.32 0.00 0.00 57.90 61.82 1w4p n TYR 92 Cb 0.50 -2.26 0.61 0.00 -0.63 0.00 0.00 39.34 37.56 1w4p n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1w4p n PRO 93 N 0.34 1.37 -2.14 2.98 -0.04 -1.26 -4.95 135.00 131.29 1w4p n PRO 93 Ca 0.09 -0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 1w4p n PRO 93 Cb 0.37 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1w4p n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1w4p n ASN 94 N -0.31 6.07 -4.71 3.54 4.13 0.19 -4.98 115.26 119.19 1w4p n ASN 94 Ca 0.19 -3.08 -0.42 0.00 1.68 0.00 0.00 54.58 52.95 1w4p n ASN 94 Cb 0.22 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 36.98 1w4p n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1w4p s ALA 96 N 1.23 2.37 0.09 0.00 0.00 -1.26 -4.92 121.76 119.28 1w4p s ALA 96 Ca 0.66 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1w4p s ALA 96 Cb -0.38 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1w4p s ALA 96 CO 0.30 0.54 -0.07 0.71 0.00 0.00 0.00 175.76 177.24 1w4p s TYR 97 N -0.65 0.89 -0.20 0.00 1.51 -1.26 -1.07 117.35 116.56 1w4p s TYR 97 Ca 0.10 -0.81 -0.09 0.00 -1.01 0.00 0.00 57.07 55.27 1w4p s TYR 97 Cb -0.10 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1w4p s TYR 97 CO -0.00 -0.11 0.10 0.21 -1.11 0.00 0.00 175.55 174.63 1w4p s LYS 98 N -3.33 4.05 -0.32 -0.62 2.20 0.21 -4.60 119.74 117.33 1w4p s LYS 98 Ca 0.08 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 1w4p s LYS 98 Cb 0.02 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1w4p s LYS 98 CO -0.03 0.24 0.42 0.99 -0.36 0.00 0.00 175.35 176.61 1w4p s THR 99 N 0.49 5.12 -0.17 3.43 2.01 -1.26 -2.87 115.64 122.39 1w4p s THR 99 Ca 0.05 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1w4p s THR 99 Cb -0.12 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1w4p s THR 99 CO 0.00 -0.05 -0.10 -0.89 -0.69 0.00 0.00 174.62 172.89 1w4p s THR 100 N 2.16 1.40 0.31 -0.82 2.01 -0.99 -4.99 115.64 114.72 1w4p s THR 100 Ca 0.15 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 1w4p s THR 100 Cb -0.16 -1.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 1w4p s THR 100 CO 0.12 0.26 0.72 -1.58 -0.69 0.00 0.00 174.62 173.44 1w4p s GLN 101 N 1.53 3.99 0.17 4.92 2.00 -1.26 -0.89 119.66 130.12 1w4p s GLN 101 Ca 0.02 0.64 -0.24 0.00 -2.00 0.00 0.00 55.36 53.78 1w4p s GLN 101 Cb -0.15 -2.47 0.06 0.00 0.80 0.00 0.00 33.01 31.25 1w4p s GLN 101 CO -0.09 0.18 0.76 0.00 -0.50 0.00 0.00 175.29 175.65 1w4p s ALA 102 N -1.95 -1.51 -0.29 1.58 0.00 -0.73 -4.96 121.76 113.90 1w4p s ALA 102 Ca 0.53 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1w4p s ALA 102 Cb -0.11 0.75 0.09 0.00 0.00 0.00 0.00 23.12 23.85 1w4p s ALA 102 CO 0.18 -0.91 0.04 -0.80 0.00 0.00 0.00 175.76 174.27 1w4p s ASN 103 N -2.81 4.08 0.19 0.00 0.01 -1.26 -1.08 114.94 114.06 1w4p s ASN 103 Ca 0.07 -1.57 -0.05 0.00 -0.71 0.00 0.00 52.86 50.61 1w4p s ASN 103 Cb -0.03 -1.12 -0.03 0.00 0.41 0.00 0.00 41.25 40.49 1w4p s ASN 103 CO -0.02 -0.35 0.22 -0.54 -1.51 0.00 0.00 177.10 174.90 1w4p s LYS 104 N 1.40 1.21 0.11 -0.60 1.02 -0.83 -4.80 119.74 117.24 1w4p s LYS 104 Ca 0.05 -1.43 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 1w4p s LYS 104 Cb -0.18 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1w4p s LYS 104 CO -0.14 -0.42 1.10 -1.01 -0.92 0.00 0.00 175.35 173.95 1w4p s HIS 105 N -4.07 3.58 0.14 3.18 3.76 -0.26 -0.43 115.29 121.20 1w4p s HIS 105 Ca 0.28 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.77 1w4p s HIS 105 Cb 0.05 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1w4p s HIS 105 CO 0.07 -0.63 0.27 0.96 -0.85 0.00 0.00 174.74 174.56 1w4p s ILE 106 N 0.32 5.29 -0.14 0.60 -4.36 -1.26 -0.74 121.20 120.91 1w4p s ILE 106 Ca 0.52 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 60.24 1w4p s ILE 106 Cb -0.28 -3.71 0.02 0.00 1.25 0.00 0.00 42.46 39.75 1w4p s ILE 106 CO 0.32 -0.07 -0.13 -0.63 0.24 0.00 0.00 174.94 174.67 1w4p s ILE 107 N -1.72 1.48 0.18 8.37 1.09 0.11 -1.17 121.20 129.53 1w4p s ILE 107 Ca 0.34 -0.59 0.07 0.00 -1.10 0.00 0.00 60.65 59.37 1w4p s ILE 107 Cb -0.11 -1.41 -0.04 0.00 -1.06 0.00 0.00 42.46 39.83 1w4p s ILE 107 CO 0.28 0.43 -0.14 0.68 -0.10 0.00 0.00 174.94 176.09 1w4p s VAL 108 N 1.52 1.60 -0.14 2.92 -7.23 -0.43 -0.34 120.40 118.31 1w4p s VAL 108 Ca 0.05 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.03 1w4p s VAL 108 Cb -0.13 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1w4p s VAL 108 CO -0.10 -0.59 0.13 0.00 -0.31 0.00 0.00 175.10 174.23 1w4p s ALA 109 N -2.89 3.79 0.12 1.32 0.00 -0.27 -0.31 121.76 123.51 1w4p s ALA 109 Ca 0.20 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.57 1w4p s ALA 109 Cb -0.01 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1w4p s ALA 109 CO 0.05 0.51 -0.19 0.00 0.00 0.00 0.00 175.76 176.13 1w4p s GLU 111 N -2.19 1.15 0.18 0.00 -1.05 -0.85 -4.88 118.70 111.07 1w4p s GLU 111 Ca 0.08 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1w4p s GLU 111 Cb -0.08 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1w4p s GLU 111 CO 0.05 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.15 1w4p n GLY 112 N -0.40 -2.66 2.68 -3.83 0.00 -1.26 -2.76 105.19 96.95 1w4p n GLY 112 Ca -0.07 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 1w4p n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w4p s ASN 113 N -2.51 2.09 0.65 1.61 2.47 -1.26 -2.62 114.94 115.37 1w4p s ASN 113 Ca 0.00 -0.61 -0.18 0.00 0.42 0.00 0.00 52.86 52.49 1w4p s ASN 113 Cb 0.00 0.10 -0.01 0.00 -1.45 0.00 0.00 41.25 39.89 1w4p s ASN 113 CO 0.00 -0.36 1.29 -2.16 -3.72 0.00 0.00 177.10 172.15 1w4p s PRO 114 N 2.24 2.55 -0.65 0.43 0.04 -1.26 -5.08 135.00 133.26 1w4p s PRO 114 Ca 0.06 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 1w4p s PRO 114 Cb -0.16 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1w4p s PRO 114 CO -0.19 -1.60 1.36 -0.47 0.04 0.00 0.00 177.00 176.13 1w4p s TYR 115 N -1.39 2.28 0.28 0.56 5.04 -1.08 -4.87 117.35 118.17 1w4p s TYR 115 Ca 0.83 0.25 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1w4p s TYR 115 Cb -0.38 -4.50 -0.06 0.00 0.35 0.00 0.00 41.96 37.38 1w4p s TYR 115 CO 0.40 -1.99 0.03 0.14 -1.34 0.00 0.00 175.55 172.79 1w4p s VAL 116 N 6.01 1.13 0.27 3.14 -7.23 -1.11 -4.87 120.40 117.74 1w4p s VAL 116 Ca 0.44 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 1w4p s VAL 116 Cb -0.09 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 1w4p s VAL 116 CO 0.20 -0.14 1.33 -2.84 -0.31 0.00 0.00 175.10 173.35 1w4p s PRO 117 N -3.88 4.35 0.00 4.82 0.02 -1.26 -2.00 135.00 137.05 1w4p s PRO 117 Ca 0.33 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1w4p s PRO 117 Cb 0.07 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1w4p s PRO 117 CO 0.13 -0.25 0.27 1.33 -0.33 0.00 0.00 177.00 178.15 1w4p n VAL 118 N 1.68 0.05 -3.63 3.83 0.24 0.04 -4.44 118.33 116.10 1w4p n VAL 118 Ca 0.03 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1w4p n VAL 118 Cb 0.42 1.49 -0.07 0.00 -1.47 0.00 0.00 33.84 34.20 1w4p n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1w4p s HIS 119 N -0.05 -0.57 -0.35 6.34 5.65 -1.20 -4.77 115.29 120.34 1w4p s HIS 119 Ca 0.00 1.37 -0.14 0.00 0.25 0.00 0.00 55.06 56.54 1w4p s HIS 119 Cb 0.00 0.34 -0.01 0.00 -1.18 0.00 0.00 32.58 31.73 1w4p s HIS 119 CO 0.00 -0.29 0.29 0.12 -0.65 0.00 0.00 174.74 174.21 1w4p s PHE 120 N 0.17 3.22 -0.14 3.88 5.36 -1.26 -1.12 117.98 128.09 1w4p s PHE 120 Ca 0.02 -0.19 -0.14 0.00 -0.96 0.00 0.00 56.93 55.66 1w4p s PHE 120 Cb -0.05 -2.57 -0.25 0.00 -0.34 0.00 0.00 43.02 39.82 1w4p s PHE 120 CO -0.03 -0.42 0.38 0.22 -1.46 0.00 0.00 175.22 173.91 1w4p h ASP 121 N 8.51 0.29 -5.77 6.13 3.58 -1.02 -3.49 116.42 124.65 1w4p h ASP 121 Ca -0.30 -0.80 0.32 0.00 0.42 0.00 0.00 57.03 56.67 1w4p h ASP 121 Cb 1.15 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 1w4p h ASP 121 CO 0.67 1.69 0.84 0.00 -2.88 0.00 0.00 179.24 179.56 1w4p s ALA 122 N -2.48 -2.30 -0.01 -0.78 0.00 -0.93 -4.96 121.76 110.30 1w4p s ALA 122 Ca -0.23 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1w4p s ALA 122 Cb 0.06 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1w4p s ALA 122 CO 0.72 -1.10 -0.08 -1.54 0.00 0.00 0.00 175.76 173.76 1w4p s SER 123 N -3.41 0.93 0.00 0.00 1.04 -1.26 0.06 113.70 111.06 1w4p s SER 123 Ca 0.22 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1w4p s SER 123 Cb 0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1w4p s SER 123 CO -0.02 0.09 0.09 1.33 0.98 0.00 0.00 173.24 175.71