#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4p n GLU 2 N 0.00 1.81 -1.33 -1.58 2.13 -1.26 -4.94 120.64 115.47 1w4p n GLU 2 Ca 0.00 0.65 -0.31 0.00 0.66 0.00 0.00 57.16 58.16 1w4p n GLU 2 Cb 0.00 -2.30 0.09 0.00 0.27 0.00 0.00 31.44 29.50 1w4p n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1w4p s THR 3 N 0.17 3.41 0.25 6.31 -4.23 -1.26 -4.85 115.64 115.44 1w4p s THR 3 Ca 0.73 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.67 1w4p s THR 3 Cb -0.72 -3.01 0.10 0.00 1.34 0.00 0.00 72.50 70.21 1w4p s THR 3 CO 0.47 -0.60 1.73 0.00 -0.54 0.00 0.00 174.62 175.68 1w4p h ALA 4 N -1.08 1.05 -0.49 3.99 0.00 -1.92 -0.77 119.26 120.04 1w4p h ALA 4 Ca -0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1w4p h ALA 4 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1w4p h ALA 4 CO 0.53 0.59 0.15 0.00 0.00 0.00 0.00 179.25 180.51 1w4p h ALA 5 N 1.22 0.64 -0.34 0.00 0.00 -1.86 -0.96 119.26 117.96 1w4p h ALA 5 Ca 0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1w4p h ALA 5 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1w4p h ALA 5 CO 0.03 0.30 -0.23 0.00 0.00 0.00 0.00 179.25 179.35 1w4p h ALA 6 N 1.01 0.96 -0.63 0.00 0.00 -1.83 -2.17 119.26 116.59 1w4p h ALA 6 Ca 0.16 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1w4p h ALA 6 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1w4p h ALA 6 CO -0.00 0.60 0.10 -0.22 0.00 0.00 0.00 179.25 179.73 1w4p h LYS 7 N 0.58 1.03 -0.49 0.00 3.64 -0.88 -0.82 116.57 119.64 1w4p h LYS 7 Ca 0.08 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1w4p h LYS 7 Cb 0.71 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1w4p h LYS 7 CO 0.05 0.95 0.24 0.35 -2.27 0.00 0.00 179.45 178.78 1w4p h PHE 8 N 0.97 0.70 -0.64 1.91 3.57 -0.84 -0.07 116.94 122.55 1w4p h PHE 8 Ca 0.19 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1w4p h PHE 8 Cb 0.42 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1w4p h PHE 8 CO 0.03 0.55 0.06 0.93 -2.23 0.00 0.00 178.31 177.66 1w4p h GLU 9 N 0.65 1.07 -0.32 1.11 5.08 -1.10 0.18 114.58 121.25 1w4p h GLU 9 Ca 0.17 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1w4p h GLU 9 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1w4p h GLU 9 CO -0.02 1.01 0.06 -0.09 -1.00 0.00 0.00 179.01 178.97 1w4p h ARG 10 N 0.99 0.53 0.00 2.33 2.43 -0.86 -1.58 114.38 118.22 1w4p h ARG 10 Ca 0.19 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1w4p h ARG 10 Cb 0.48 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1w4p h ARG 10 CO 0.02 0.61 -0.81 1.96 -1.51 0.00 0.00 179.97 180.24 1w4p h GLN 11 N 0.36 0.00 0.00 0.20 4.20 -0.94 -3.41 115.11 115.53 1w4p h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1w4p h GLN 11 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1w4p h GLN 11 CO 0.00 0.69 0.00 0.72 -0.67 0.00 0.00 178.83 179.57 1w4p n HIS 12 N -3.25 0.00 -4.52 2.96 8.25 0.62 -4.69 115.22 114.60 1w4p n HIS 12 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 1w4p n HIS 12 Cb 0.84 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.10 3.56 -0.47 -0.41 -1.94 -0.60 0.06 119.30 119.40 1w4p s MET 13 Ca 0.00 -0.58 0.06 0.00 -1.71 0.00 0.00 55.69 53.46 1w4p s MET 13 Cb 0.00 -2.82 0.19 0.00 2.01 0.00 0.00 34.83 34.21 1w4p s MET 13 CO 0.00 0.22 0.59 -3.47 -0.01 0.00 0.00 175.02 172.34 1w4p n ASP 14 N 3.57 -2.22 -0.62 3.03 2.03 -0.60 -4.83 116.55 116.91 1w4p n ASP 14 Ca -0.18 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.41 1w4p n ASP 14 Cb 0.52 0.83 0.02 0.00 -0.72 0.00 0.00 41.12 41.77 1w4p n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1w4p n SER 15 N 2.78 1.44 0.00 1.67 7.64 -1.26 -4.07 113.62 121.82 1w4p n SER 15 Ca 0.22 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1w4p n SER 15 Cb 0.53 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1w4p n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1w4p n SER 16 N 0.08 0.00 -3.37 6.43 3.41 -1.26 -4.90 113.62 114.01 1w4p n SER 16 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 1w4p n SER 16 Cb 0.32 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.52 1w4p n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1w4p n THR 17 N 0.00 0.00 -0.02 6.66 -2.24 -1.26 -4.93 114.28 112.49 1w4p n THR 17 Ca 0.00 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1w4p n THR 17 Cb 0.00 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.08 1w4p n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1w4p h SER 18 N -2.89 -0.06 0.00 3.42 4.64 -1.93 -3.48 113.55 113.26 1w4p h SER 18 Ca -0.37 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1w4p h SER 18 Cb 1.16 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1w4p h SER 18 CO 0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1w4p n ALA 19 N -2.26 0.00 -1.89 5.18 0.00 -1.26 -4.88 120.51 115.40 1w4p n ALA 19 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1w4p n ALA 19 Cb 0.08 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.62 1w4p n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w4p s ALA 20 N -1.34 2.64 -0.09 0.00 0.00 -1.26 -5.01 121.76 116.71 1w4p s ALA 20 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1w4p s ALA 20 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 1w4p s ALA 20 CO 0.00 -1.65 0.13 0.43 0.00 0.00 0.00 175.76 174.67 1w4p n SER 21 N -3.31 2.36 -3.94 0.00 7.64 -1.26 -5.07 113.62 110.05 1w4p n SER 21 Ca 0.08 -0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.62 1w4p n SER 21 Cb 0.61 1.12 -0.04 0.00 -1.01 0.00 0.00 64.21 64.88 1w4p n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1w4p s SER 22 N -2.04 -0.12 0.00 6.43 1.04 -1.26 -5.02 113.70 112.73 1w4p s SER 22 Ca -0.00 -0.86 0.13 0.00 0.48 0.00 0.00 55.95 55.70 1w4p s SER 22 Cb 0.03 0.63 0.78 0.00 0.10 0.00 0.00 66.02 67.56 1w4p s SER 22 CO 0.18 -1.20 1.45 -1.20 0.98 0.00 0.00 173.24 173.45 1w4p n SER 23 N -0.43 0.00 -0.76 7.02 7.64 -1.26 -2.69 113.62 123.14 1w4p n SER 23 Ca -0.02 -1.47 0.08 0.00 1.01 0.00 0.00 58.87 58.47 1w4p n SER 23 Cb 0.61 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.94 1w4p n SER 23 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1w4p n ASN 24 N -0.72 2.72 -0.15 6.43 5.15 -1.26 -4.40 115.26 123.04 1w4p n ASN 24 Ca 0.10 -1.80 -0.05 0.00 -0.60 0.00 0.00 54.58 52.23 1w4p n ASN 24 Cb 0.04 -0.12 0.01 0.00 -0.53 0.00 0.00 39.78 39.19 1w4p n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1w4p h TYR 25 N 3.13 -0.63 -0.75 1.20 3.20 -1.92 -1.84 116.97 119.36 1w4p h TYR 25 Ca 0.00 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1w4p h TYR 25 Cb 0.74 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1w4p h TYR 25 CO 0.12 -0.32 0.25 0.00 -1.64 0.00 0.00 178.16 176.58 1w4p h ASN 27 N 1.10 0.71 -0.09 0.00 2.35 -1.65 0.12 115.58 118.12 1w4p h ASN 27 Ca 0.24 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.82 1w4p h ASN 27 Cb 0.28 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1w4p h ASN 27 CO -0.01 0.49 -0.65 -0.61 -1.65 0.00 0.00 177.43 175.00 1w4p h GLN 28 N 0.85 0.59 -0.31 0.81 -0.00 -1.14 -3.19 115.11 112.72 1w4p h GLN 28 Ca 0.29 -0.52 -0.08 0.00 -0.00 0.00 0.00 58.65 58.34 1w4p h GLN 28 Cb 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 1w4p h GLN 28 CO -0.12 1.14 -0.12 0.52 0.00 0.00 0.00 178.83 180.25 1w4p h MET 29 N 0.21 0.63 -0.00 1.69 2.86 -0.57 -1.14 114.93 118.61 1w4p h MET 29 Ca -0.06 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 1w4p h MET 29 Cb 1.30 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 1w4p h MET 29 CO 0.13 0.84 -0.12 0.52 1.06 0.00 0.00 176.91 179.35 1w4p h MET 30 N 0.39 0.00 0.05 1.72 2.86 -0.89 -0.83 114.93 118.24 1w4p h MET 30 Ca 0.07 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1w4p h MET 30 Cb 0.64 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.30 1w4p h MET 30 CO 0.04 0.12 -0.29 -0.22 1.06 0.00 0.00 176.91 177.61 1w4p h LYS 31 N 0.00 0.11 -0.18 1.72 3.64 -1.51 0.24 116.57 120.58 1w4p h LYS 31 Ca -0.00 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1w4p h LYS 31 Cb 0.21 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1w4p h LYS 31 CO 0.02 1.09 -0.11 0.66 -2.27 0.00 0.00 179.45 178.83 1w4p h SER 32 N -0.78 0.27 -0.26 4.20 4.64 -1.02 -1.93 113.55 118.68 1w4p h SER 32 Ca -0.05 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1w4p h SER 32 Cb 1.23 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1w4p h SER 32 CO 0.05 0.42 0.00 0.54 -0.87 0.00 0.00 176.83 176.97 1w4p n ARG 33 N -4.27 1.78 -3.59 4.77 5.12 -0.33 -4.91 116.66 115.23 1w4p n ARG 33 Ca -0.00 -1.01 -0.22 0.00 -1.93 0.00 0.00 57.85 54.69 1w4p n ARG 33 Cb 0.27 -1.32 0.07 0.00 -1.16 0.00 0.00 32.46 30.31 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 0.28 -3.77 -1.08 0.55 3.02 -0.72 -4.83 115.26 108.70 1w4p n ASN 34 Ca 0.09 -0.64 0.08 0.00 -0.03 0.00 0.00 54.58 54.08 1w4p n ASN 34 Cb 0.30 -4.78 0.27 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.53 3.96 -0.64 3.41 4.77 0.07 -4.38 117.00 119.66 1w4p n LEU 35 Ca -0.15 -2.53 0.01 0.00 -0.03 0.00 0.00 56.01 53.31 1w4p n LEU 35 Cb 0.61 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1w4p n LEU 35 CO 0.65 0.73 0.22 0.35 -1.33 0.00 0.00 177.39 178.02 1w4p n THR 36 N 0.36 0.00 0.26 -5.08 -2.24 -1.21 -1.81 114.28 104.57 1w4p n THR 36 Ca 0.20 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1w4p n THR 36 Cb 0.77 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.14 -0.66 0.00 -0.78 3.11 -1.90 -3.36 116.57 113.12 1w4p h LYS 37 Ca -0.03 0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 1w4p h LYS 37 Cb 1.47 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.83 1w4p h LYS 37 CO 0.01 -0.44 -1.46 -3.47 -2.81 0.00 0.00 179.45 171.28 1w4p n ASP 38 N -4.19 0.60 -3.79 4.20 -0.08 -1.26 -5.01 116.55 107.03 1w4p n ASP 38 Ca -0.08 0.25 -0.05 0.00 -1.51 0.00 0.00 54.79 53.40 1w4p n ASP 38 Cb 0.27 0.74 -0.02 0.00 2.34 0.00 0.00 41.12 44.46 1w4p n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1w4p s ARG 39 N -3.19 1.40 -0.40 -0.67 1.70 -1.26 -5.10 118.95 111.43 1w4p s ARG 39 Ca -0.04 -0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 54.21 1w4p s ARG 39 Cb 0.10 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1w4p s ARG 39 CO 0.83 -0.64 0.86 0.00 -1.08 0.00 0.00 175.30 175.26 1w4p n LYS 41 N 6.74 2.33 0.06 0.00 5.02 -0.75 -4.89 118.16 126.68 1w4p n LYS 41 Ca 0.05 0.76 -0.12 0.00 -2.02 0.00 0.00 58.31 56.98 1w4p n LYS 41 Cb 0.48 -3.10 -0.05 0.00 -0.02 0.00 0.00 35.03 32.35 1w4p n LYS 41 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1w4p h PRO 42 N 12.88 -0.41 -4.34 1.97 0.11 -1.94 -3.43 132.00 136.84 1w4p h PRO 42 Ca -0.45 0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.28 1w4p h PRO 42 Cb 1.24 0.09 -0.32 0.00 0.11 0.00 0.00 31.00 32.13 1w4p h PRO 42 CO 0.95 -0.27 -0.78 0.08 -0.21 0.00 0.00 178.00 177.77 1w4p s VAL 43 N -6.04 0.67 -0.19 3.15 1.01 -1.26 -0.65 120.40 117.09 1w4p s VAL 43 Ca -0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1w4p s VAL 43 Cb 0.09 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1w4p s VAL 43 CO 0.66 0.23 0.48 0.21 0.00 0.00 0.00 175.10 176.68 1w4p s ASN 44 N 0.46 -0.56 -0.11 3.32 2.47 0.03 -5.02 114.94 115.53 1w4p s ASN 44 Ca -0.07 1.01 -0.02 0.00 0.42 0.00 0.00 52.86 54.20 1w4p s ASN 44 Cb -0.11 0.96 -0.03 0.00 -1.45 0.00 0.00 41.25 40.62 1w4p s ASN 44 CO 0.01 -0.19 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.27 1w4p s THR 45 N 0.82 3.94 -0.15 -5.21 2.01 -1.26 -0.49 115.64 115.30 1w4p s THR 45 Ca -0.05 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1w4p s THR 45 Cb -0.05 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1w4p s THR 45 CO -0.06 0.56 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.97 1w4p s PHE 46 N -0.33 2.89 -0.18 4.92 0.08 -0.02 -4.33 117.98 121.00 1w4p s PHE 46 Ca 0.05 -0.61 -0.09 0.00 0.12 0.00 0.00 56.93 56.40 1w4p s PHE 46 Cb -0.12 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1w4p s PHE 46 CO 0.02 -0.22 0.13 0.08 -0.10 0.00 0.00 175.22 175.13 1w4p s VAL 47 N 0.52 5.38 -2.60 -0.44 1.01 0.11 -0.56 120.40 123.82 1w4p s VAL 47 Ca -0.07 0.18 0.24 0.00 0.00 0.00 0.00 61.98 62.33 1w4p s VAL 47 Cb -0.15 -3.44 0.20 0.00 0.00 0.00 0.00 36.38 32.99 1w4p s VAL 47 CO 0.04 0.47 1.31 1.41 0.00 0.00 0.00 175.10 178.33 1w4p n HIS 48 N 3.25 0.00 -1.58 5.22 -0.00 -0.01 -1.56 115.22 120.54 1w4p n HIS 48 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.26 1w4p n HIS 48 Cb 0.53 -0.01 0.13 0.00 -0.00 0.00 0.00 29.99 30.63 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 -2.16 1.29 0.71 -0.41 0.41 -1.26 -4.42 118.70 112.87 1w4p s GLU 49 Ca 0.27 0.29 -0.15 0.00 -0.41 0.00 0.00 54.97 54.97 1w4p s GLU 49 Cb 0.20 -1.86 0.03 0.00 -1.78 0.00 0.00 34.13 30.72 1w4p s GLU 49 CO 0.39 -2.10 1.18 -1.54 -0.49 0.00 0.00 175.26 172.70 1w4p s SER 50 N -4.09 4.43 0.29 -0.19 1.04 -1.26 -4.44 113.70 109.49 1w4p s SER 50 Ca 0.63 2.26 -0.02 0.00 0.48 0.00 0.00 55.95 59.31 1w4p s SER 50 Cb -0.14 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.83 1w4p s SER 50 CO 0.53 -2.10 1.94 0.25 0.98 0.00 0.00 173.24 174.84 1w4p h LEU 51 N -0.21 0.98 -0.37 2.42 5.85 -1.96 -2.14 115.31 119.87 1w4p h LEU 51 Ca -0.47 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1w4p h LEU 51 Cb 1.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1w4p h LEU 51 CO 0.51 0.68 0.19 0.00 -0.34 0.00 0.00 178.44 179.48 1w4p h ALA 52 N 1.47 0.46 -0.85 1.25 0.00 -1.99 0.72 119.26 120.32 1w4p h ALA 52 Ca 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1w4p h ALA 52 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1w4p h ALA 52 CO -0.10 -0.17 0.49 -0.44 0.00 0.00 0.00 179.25 179.03 1w4p h ASP 53 N 0.39 1.05 -0.28 0.00 5.19 -1.78 -0.68 116.42 120.31 1w4p h ASP 53 Ca 0.15 -0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 1w4p h ASP 53 Cb 0.05 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1w4p h ASP 53 CO -0.10 0.83 -0.20 0.58 -3.12 0.00 0.00 179.24 177.24 1w4p h VAL 54 N 1.18 1.30 0.00 -1.35 2.07 -1.02 -2.85 116.25 115.59 1w4p h VAL 54 Ca 0.30 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1w4p h VAL 54 Cb 0.00 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1w4p h VAL 54 CO -0.05 0.42 -0.14 1.56 0.02 0.00 0.00 177.57 179.38 1w4p h GLN 55 N 0.35 0.00 0.00 1.57 4.20 -0.62 -1.38 115.11 119.23 1w4p h GLN 55 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1w4p h GLN 55 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1w4p h GLN 55 CO 0.05 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1w4p h ALA 56 N 1.86 1.00 0.00 3.87 0.00 -0.88 -2.64 119.26 122.47 1w4p h ALA 56 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1w4p h ALA 56 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1w4p h ALA 56 CO 0.02 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 1w4p h VAL 57 N 0.00 0.27 0.00 0.00 2.07 -1.21 -1.24 116.25 116.14 1w4p h VAL 57 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1w4p h VAL 57 Cb 0.37 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1w4p h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1w4p n SER 59 N -1.24 2.71 0.00 0.00 7.64 -0.47 -5.01 113.62 117.25 1w4p n SER 59 Ca 0.08 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1w4p n SER 59 Cb 0.11 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1w4p n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w4p n GLN 60 N -0.59 0.43 -2.47 1.43 6.02 -0.54 -5.02 117.38 116.64 1w4p n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1w4p n GLN 60 Cb 0.55 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.78 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 4.14 3.66 0.03 -1.09 2.20 -1.02 -4.88 119.74 122.79 1w4p s LYS 61 Ca 0.00 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 1w4p s LYS 61 Cb 0.00 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 1w4p s LYS 61 CO 0.00 -1.46 1.28 1.21 -0.36 0.00 0.00 175.35 176.02 1w4p s ASN 62 N 3.18 6.98 0.06 1.43 3.04 -1.26 0.08 114.94 128.45 1w4p s ASN 62 Ca 0.55 2.05 -0.04 0.00 0.04 0.00 0.00 52.86 55.46 1w4p s ASN 62 Cb -0.11 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.01 1w4p s ASN 62 CO 0.32 -0.58 0.05 0.68 -3.04 0.00 0.00 177.10 174.52 1w4p s VAL 63 N 1.61 0.19 0.62 -5.21 -7.23 0.04 -4.93 120.40 105.49 1w4p s VAL 63 Ca 0.60 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 1w4p s VAL 63 Cb -0.30 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1w4p s VAL 63 CO 0.27 -0.85 1.10 0.00 -0.31 0.00 0.00 175.10 175.31 1w4p s ALA 64 N -3.77 2.58 0.44 1.32 0.00 -1.26 -2.60 121.76 118.47 1w4p s ALA 64 Ca 0.05 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1w4p s ALA 64 Cb 0.06 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1w4p s ALA 64 CO -0.10 -1.05 0.65 0.00 0.00 0.00 0.00 175.76 175.26 1w4p h LYS 66 N 0.44 0.00 -0.01 0.00 1.57 -1.93 -2.11 116.57 114.54 1w4p h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1w4p h LYS 66 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1w4p h LYS 66 CO 0.56 0.10 -0.01 0.27 -0.57 0.00 0.00 179.45 179.80 1w4p n ASN 67 N -3.88 0.75 0.00 0.86 0.23 -1.26 -4.92 115.26 107.05 1w4p n ASN 67 Ca -0.02 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 1w4p n ASN 67 Cb 0.20 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 1.11 3.29 3.71 4.83 0.00 -0.79 -5.07 105.19 112.27 1w4p n GLY 68 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.78 1.42 -0.22 1.61 -1.52 -1.26 -4.72 119.66 114.20 1w4p s GLN 69 Ca 0.00 1.07 0.11 0.00 -1.95 0.00 0.00 55.36 54.59 1w4p s GLN 69 Cb 0.00 -1.81 0.43 0.00 -0.22 0.00 0.00 33.01 31.41 1w4p s GLN 69 CO 0.00 -2.20 1.21 0.25 -0.25 0.00 0.00 175.29 174.31 1w4p n THR 70 N -3.89 2.21 -1.34 -0.19 -2.24 -1.26 -0.12 114.28 107.45 1w4p n THR 70 Ca 0.08 -3.36 -0.19 0.00 -2.27 0.00 0.00 64.05 58.32 1w4p n THR 70 Cb 0.54 -0.35 0.17 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.01 3.76 -4.93 3.42 6.94 -1.26 -4.72 115.26 117.45 1w4p n ASN 71 Ca 0.23 -3.70 -0.28 0.00 -0.02 0.00 0.00 54.58 50.81 1w4p n ASN 71 Cb 0.75 -0.77 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.64 0.25 -0.16 0.00 1.51 0.64 -0.78 117.35 117.17 1w4p s TYR 73 Ca 0.35 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.32 1w4p s TYR 73 Cb -0.12 -0.20 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1w4p s TYR 73 CO 0.28 -0.02 0.01 -1.14 -1.11 0.00 0.00 175.55 173.56 1w4p s GLN 74 N 0.12 3.75 0.31 -0.62 0.74 0.11 -1.11 119.66 122.96 1w4p s GLN 74 Ca -0.01 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 1w4p s GLN 74 Cb -0.03 -3.03 -0.10 0.00 1.10 0.00 0.00 33.01 30.94 1w4p s GLN 74 CO -0.00 0.29 1.41 -1.54 -0.55 0.00 0.00 175.29 174.90 1w4p s SER 75 N 0.26 6.61 0.23 6.67 1.04 -0.11 -2.42 113.70 125.98 1w4p s SER 75 Ca 0.00 2.77 -0.03 0.00 0.48 0.00 0.00 55.95 59.17 1w4p s SER 75 Cb -0.13 -2.64 0.22 0.00 0.10 0.00 0.00 66.02 63.57 1w4p s SER 75 CO 0.02 -0.69 1.65 1.88 0.98 0.00 0.00 173.24 177.07 1w4p h TYR 76 N 4.05 0.83 -2.07 5.02 0.05 -1.94 -3.43 116.97 119.48 1w4p h TYR 76 Ca -0.48 -0.18 -0.46 0.00 0.05 0.00 0.00 58.73 57.65 1w4p h TYR 76 Cb 1.22 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 1w4p h TYR 76 CO 0.57 0.89 -0.42 -1.12 -1.05 0.00 0.00 178.16 177.03 1w4p s SER 77 N -6.75 6.07 0.47 3.88 0.01 -1.26 -5.04 113.70 111.08 1w4p s SER 77 Ca -0.09 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 56.94 1w4p s SER 77 Cb 0.13 -1.59 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 1w4p s SER 77 CO 0.83 -0.18 0.93 0.42 0.41 0.00 0.00 173.24 175.65 1w4p s THR 78 N -2.07 4.56 0.12 1.44 -4.23 -1.26 -4.45 115.64 109.75 1w4p s THR 78 Ca 0.37 1.15 0.06 0.00 -1.18 0.00 0.00 61.69 62.09 1w4p s THR 78 Cb -0.09 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1w4p s THR 78 CO 0.29 -0.58 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.61 1w4p s MET 79 N -3.83 1.01 -0.10 3.99 -1.94 0.86 -4.85 119.30 114.45 1w4p s MET 79 Ca 0.58 -1.23 -0.30 0.00 -1.71 0.00 0.00 55.69 53.04 1w4p s MET 79 Cb -0.10 -0.89 -0.02 0.00 2.01 0.00 0.00 34.83 35.83 1w4p s MET 79 CO 0.28 0.17 1.18 0.45 -0.01 0.00 0.00 175.02 177.09 1w4p s SER 80 N -2.43 7.05 0.15 3.03 0.15 -1.26 -1.85 113.70 118.55 1w4p s SER 80 Ca 0.08 1.72 -0.01 0.00 0.70 0.00 0.00 55.95 58.45 1w4p s SER 80 Cb -0.05 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1w4p s SER 80 CO 0.03 -0.61 0.07 0.27 1.20 0.00 0.00 173.24 174.19 1w4p s ILE 81 N 2.56 0.13 -0.09 6.45 -4.36 -0.23 -0.83 121.20 124.82 1w4p s ILE 81 Ca 0.54 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1w4p s ILE 81 Cb -0.23 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1w4p s ILE 81 CO 0.19 -0.35 -0.08 -0.89 0.24 0.00 0.00 174.94 174.05 1w4p s THR 82 N -4.04 0.98 -0.20 8.37 2.01 0.27 -1.63 115.64 121.41 1w4p s THR 82 Ca 0.28 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 1w4p s THR 82 Cb 0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1w4p s THR 82 CO 0.04 0.35 0.32 -0.62 -0.69 0.00 0.00 174.62 174.02 1w4p s ASP 83 N 1.41 6.36 -0.23 3.53 -1.08 0.52 -0.84 116.67 126.35 1w4p s ASP 83 Ca -0.01 0.42 -0.04 0.00 -0.52 0.00 0.00 52.55 52.40 1w4p s ASP 83 Cb -0.13 -2.19 -0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1w4p s ASP 83 CO -0.05 -0.00 -0.04 0.00 0.52 0.00 0.00 175.17 175.60 1w4p s ARG 85 N 1.46 1.25 0.42 0.00 3.52 -1.09 -0.79 118.95 123.73 1w4p s ARG 85 Ca 0.05 -0.21 -0.25 0.00 -0.13 0.00 0.00 55.73 55.19 1w4p s ARG 85 Cb -0.15 -1.23 -0.10 0.00 -1.56 0.00 0.00 34.95 31.92 1w4p s ARG 85 CO -0.03 -0.13 1.21 -1.91 -0.81 0.00 0.00 175.30 173.63 1w4p n GLU 86 N 4.35 1.78 -1.56 5.12 2.13 0.18 -1.05 120.64 131.59 1w4p n GLU 86 Ca -0.19 0.64 -0.30 0.00 0.66 0.00 0.00 57.16 57.97 1w4p n GLU 86 Cb 0.51 -2.31 0.09 0.00 0.27 0.00 0.00 31.44 30.00 1w4p n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1w4p s THR 87 N -1.22 3.08 -0.49 6.31 -4.23 -0.62 -4.78 115.64 113.70 1w4p s THR 87 Ca 0.62 0.35 0.26 0.00 -1.18 0.00 0.00 61.69 61.74 1w4p s THR 87 Cb -0.52 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.50 1w4p s THR 87 CO 0.57 -0.46 1.76 1.23 -0.54 0.00 0.00 174.62 177.18 1w4p h GLY 88 N -1.07 0.00 -1.29 3.99 0.00 -1.93 -2.87 103.07 99.89 1w4p h GLY 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1w4p h GLY 88 CO 0.59 0.00 -0.29 1.44 0.00 0.00 0.00 176.54 178.28 1w4p n SER 89 N -2.43 2.33 -4.77 0.19 7.64 -1.26 -4.98 113.62 110.34 1w4p n SER 89 Ca 0.03 -1.66 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 1w4p n SER 89 Cb 0.34 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 1w4p n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1w4p s SER 90 N -2.23 6.66 -0.16 6.43 0.15 -1.09 -4.99 113.70 118.47 1w4p s SER 90 Ca 0.21 2.78 -0.06 0.00 0.70 0.00 0.00 55.95 59.58 1w4p s SER 90 Cb 0.18 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.91 1w4p s SER 90 CO 0.45 -0.62 0.35 -0.75 1.20 0.00 0.00 173.24 173.87 1w4p s LYS 91 N -1.83 0.27 0.43 5.44 2.20 -1.23 -4.93 119.74 120.09 1w4p s LYS 91 Ca 0.50 0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 56.74 1w4p s LYS 91 Cb -0.41 0.13 -0.10 0.00 -1.51 0.00 0.00 37.83 35.93 1w4p s LYS 91 CO 0.55 -0.24 0.99 0.98 -0.36 0.00 0.00 175.35 177.27 1w4p n TYR 92 N 5.14 1.11 1.34 4.03 9.36 -1.26 -1.20 117.16 135.68 1w4p n TYR 92 Ca -0.11 0.55 0.14 0.00 3.32 0.00 0.00 57.90 61.81 1w4p n TYR 92 Cb 0.51 -2.22 0.64 0.00 -0.63 0.00 0.00 39.34 37.64 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 0.10 0.46 -2.24 2.98 -0.04 -1.26 -4.94 135.00 130.06 1w4p n PRO 93 Ca 0.10 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1w4p n PRO 93 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.18 4.78 -4.68 3.54 4.13 -0.34 -4.97 115.26 116.54 1w4p n ASN 94 Ca 0.13 -3.03 -0.42 0.00 1.68 0.00 0.00 54.58 52.94 1w4p n ASN 94 Cb 0.28 -1.54 -0.03 0.00 -1.54 0.00 0.00 39.78 36.95 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 2.84 2.55 0.07 0.00 0.00 -1.26 -4.93 121.76 121.03 1w4p s ALA 96 Ca 0.69 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1w4p s ALA 96 Cb -0.34 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1w4p s ALA 96 CO 0.28 0.53 -0.13 0.71 0.00 0.00 0.00 175.76 177.15 1w4p s TYR 97 N -0.63 1.14 -0.20 0.00 2.02 -1.26 -1.59 117.35 116.84 1w4p s TYR 97 Ca 0.09 -0.46 -0.14 0.00 -0.37 0.00 0.00 57.07 56.19 1w4p s TYR 97 Cb -0.11 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1w4p s TYR 97 CO 0.01 0.04 0.31 0.15 -1.57 0.00 0.00 175.55 174.48 1w4p s LYS 98 N -1.71 4.18 -0.24 -0.62 1.02 -0.22 -4.72 119.74 117.44 1w4p s LYS 98 Ca -0.03 0.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.89 1w4p s LYS 98 Cb -0.10 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1w4p s LYS 98 CO 0.02 0.08 0.27 0.99 -0.92 0.00 0.00 175.35 175.79 1w4p s THR 99 N 0.97 5.28 -0.08 2.17 2.01 -1.26 -2.65 115.64 122.07 1w4p s THR 99 Ca 0.16 0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1w4p s THR 99 Cb -0.14 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1w4p s THR 99 CO 0.06 0.28 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.29 1w4p s THR 100 N 1.36 0.93 0.27 -0.82 2.01 -0.67 -5.00 115.64 113.72 1w4p s THR 100 Ca 0.12 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 1w4p s THR 100 Cb -0.14 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.36 1w4p s THR 100 CO 0.07 0.33 0.70 -1.10 -0.69 0.00 0.00 174.62 173.93 1w4p s GLN 101 N 1.24 4.06 0.25 4.92 -1.52 -1.26 -0.35 119.66 127.00 1w4p s GLN 101 Ca -0.04 0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 53.85 1w4p s GLN 101 Cb -0.14 -2.64 0.03 0.00 -0.22 0.00 0.00 33.01 30.04 1w4p s GLN 101 CO -0.03 0.27 0.67 0.00 -0.25 0.00 0.00 175.29 175.96 1w4p s ALA 102 N -1.78 -1.18 -0.27 6.09 0.00 -0.64 -4.93 121.76 119.05 1w4p s ALA 102 Ca 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1w4p s ALA 102 Cb -0.13 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1w4p s ALA 102 CO 0.19 -0.97 0.11 1.21 0.00 0.00 0.00 175.76 176.30 1w4p s ASN 103 N -2.90 3.48 0.26 0.00 3.84 -1.26 -1.07 114.94 117.29 1w4p s ASN 103 Ca 0.10 -1.26 -0.02 0.00 0.21 0.00 0.00 52.86 51.89 1w4p s ASN 103 Cb -0.05 -0.48 -0.02 0.00 -0.55 0.00 0.00 41.25 40.15 1w4p s ASN 103 CO 0.04 -0.41 0.29 -0.54 -2.79 0.00 0.00 177.10 173.69 1w4p s LYS 104 N 1.97 1.51 0.17 0.43 1.02 -0.77 -4.74 119.74 119.33 1w4p s LYS 104 Ca 0.08 -1.64 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 1w4p s LYS 104 Cb -0.16 0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.43 1w4p s LYS 104 CO -0.29 -0.57 0.95 -1.01 -0.92 0.00 0.00 175.35 173.52 1w4p s HIS 105 N -3.79 3.89 0.12 3.18 3.76 0.62 -0.09 115.29 122.97 1w4p s HIS 105 Ca 0.34 1.85 0.03 0.00 -0.15 0.00 0.00 55.06 57.14 1w4p s HIS 105 Cb 0.03 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1w4p s HIS 105 CO 0.16 0.32 0.17 0.96 -0.85 0.00 0.00 174.74 175.50 1w4p s ILE 106 N -0.54 4.85 -0.13 0.60 -4.36 -1.26 -0.35 121.20 120.02 1w4p s ILE 106 Ca 0.44 -0.79 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1w4p s ILE 106 Cb -0.24 -3.43 0.02 0.00 1.25 0.00 0.00 42.46 40.06 1w4p s ILE 106 CO 0.31 -0.01 -0.13 -0.63 0.24 0.00 0.00 174.94 174.72 1w4p s ILE 107 N -1.62 1.43 0.11 8.37 1.01 0.10 -0.93 121.20 129.67 1w4p s ILE 107 Ca 0.32 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1w4p s ILE 107 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1w4p s ILE 107 CO 0.25 0.43 -0.11 0.68 0.00 0.00 0.00 174.94 176.19 1w4p s VAL 108 N 1.35 1.06 -0.00 2.92 -7.23 -0.27 -0.61 120.40 117.63 1w4p s VAL 108 Ca 0.01 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1w4p s VAL 108 Cb -0.13 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.32 1w4p s VAL 108 CO -0.07 -0.52 0.49 0.00 -0.31 0.00 0.00 175.10 174.69 1w4p s ALA 109 N -2.37 3.59 0.01 1.32 0.00 0.20 -0.26 121.76 124.25 1w4p s ALA 109 Ca 0.07 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1w4p s ALA 109 Cb -0.03 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1w4p s ALA 109 CO 0.01 0.32 -0.20 0.00 0.00 0.00 0.00 175.76 175.89 1w4p s GLU 111 N -1.13 0.86 0.04 0.00 2.12 -0.60 -4.88 118.70 115.11 1w4p s GLU 111 Ca 0.13 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1w4p s GLU 111 Cb -0.10 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1w4p s GLU 111 CO 0.03 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1w4p n GLY 112 N 0.18 -3.05 2.76 -1.50 0.00 -1.26 -3.09 105.19 99.24 1w4p n GLY 112 Ca -0.12 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.40 2.53 0.63 1.61 2.47 -1.26 -1.65 114.94 117.87 1w4p s ASN 113 Ca 0.00 -0.60 -0.18 0.00 0.42 0.00 0.00 52.86 52.50 1w4p s ASN 113 Cb 0.00 -0.59 -0.02 0.00 -1.45 0.00 0.00 41.25 39.18 1w4p s ASN 113 CO 0.00 -0.26 1.19 -0.81 -3.72 0.00 0.00 177.10 173.50 1w4p n PRO 114 N 5.06 1.07 -2.52 0.43 -0.04 -1.26 -5.07 135.00 132.66 1w4p n PRO 114 Ca -0.09 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 1w4p n PRO 114 Cb 0.48 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1w4p n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1w4p s TYR 115 N -1.42 2.33 0.34 0.54 5.04 -0.66 -4.86 117.35 118.65 1w4p s TYR 115 Ca 0.80 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.21 1w4p s TYR 115 Cb -0.39 -4.62 -0.06 0.00 0.35 0.00 0.00 41.96 37.24 1w4p s TYR 115 CO 0.43 -2.04 0.06 0.14 -1.34 0.00 0.00 175.55 172.80 1w4p s VAL 116 N 5.72 1.19 0.23 3.14 -7.23 -1.18 -4.82 120.40 117.45 1w4p s VAL 116 Ca 0.41 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 1w4p s VAL 116 Cb -0.06 -2.77 -0.10 0.00 0.56 0.00 0.00 36.38 34.01 1w4p s VAL 116 CO 0.07 0.00 1.52 -2.84 -0.31 0.00 0.00 175.10 173.53 1w4p s PRO 117 N -3.88 4.22 0.00 4.82 0.02 -1.26 -1.56 135.00 137.37 1w4p s PRO 117 Ca 0.35 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1w4p s PRO 117 Cb 0.08 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1w4p s PRO 117 CO 0.15 -0.53 0.19 1.33 -0.33 0.00 0.00 177.00 177.82 1w4p n VAL 118 N 2.85 0.00 -3.62 3.83 0.24 0.68 -4.43 118.33 117.87 1w4p n VAL 118 Ca 0.09 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1w4p n VAL 118 Cb 0.39 1.25 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.23 -0.76 -0.37 6.34 5.65 -1.21 -4.68 115.29 120.04 1w4p s HIS 119 Ca 0.00 1.80 -0.14 0.00 0.25 0.00 0.00 55.06 56.97 1w4p s HIS 119 Cb 0.00 0.29 -0.00 0.00 -1.18 0.00 0.00 32.58 31.69 1w4p s HIS 119 CO 0.00 -0.40 0.30 0.12 -0.65 0.00 0.00 174.74 174.11 1w4p s PHE 120 N 0.20 3.22 -0.15 3.88 2.19 -1.26 -0.63 117.98 125.43 1w4p s PHE 120 Ca -0.01 -0.29 -0.23 0.00 0.33 0.00 0.00 56.93 56.73 1w4p s PHE 120 Cb -0.04 -2.59 -0.24 0.00 -1.31 0.00 0.00 43.02 38.83 1w4p s PHE 120 CO 0.02 -0.47 0.54 0.22 1.83 0.00 0.00 175.22 177.36 1w4p h ASP 121 N 8.55 0.12 0.00 6.13 3.58 -1.20 -3.49 116.42 130.11 1w4p h ASP 121 Ca -0.29 -0.80 0.00 0.00 0.42 0.00 0.00 57.03 56.36 1w4p h ASP 121 Cb 1.14 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1w4p h ASP 121 CO 0.69 1.34 0.00 0.00 -2.88 0.00 0.00 179.24 178.39 1w4p n ALA 122 N -2.97 0.00 -2.51 -0.78 0.00 -1.06 -4.97 120.51 108.22 1w4p n ALA 122 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 1w4p n ALA 122 Cb 0.67 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.97 1w4p n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1w4p s SER 123 N 0.00 1.99 0.00 0.00 1.04 -1.26 0.00 113.70 115.47 1w4p s SER 123 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1w4p s SER 123 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1w4p s SER 123 CO 0.00 0.20 0.15 1.33 0.98 0.00 0.00 173.24 175.90