#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip4 s VAL 4 N 0.00 5.20 0.44 -0.18 1.01 -1.26 -5.09 120.40 120.52 3ip4 s VAL 4 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 3ip4 s VAL 4 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3ip4 s VAL 4 CO 0.00 0.32 0.73 0.28 0.00 0.00 0.00 175.10 176.43 3ip4 s THR 5 N 0.72 4.93 0.16 3.92 -1.32 -1.26 -4.90 115.64 117.90 3ip4 s THR 5 Ca 0.24 0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.71 3ip4 s THR 5 Cb -0.15 -3.84 0.03 0.00 -1.51 0.00 0.00 72.50 67.03 3ip4 s THR 5 CO 0.09 -0.73 1.81 -0.09 -2.21 0.00 0.00 174.62 173.49 3ip4 h ARG 6 N 0.53 0.53 -0.59 7.08 2.43 -1.98 -2.43 114.38 119.95 3ip4 h ARG 6 Ca -0.47 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 3ip4 h ARG 6 Cb 1.20 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3ip4 h ARG 6 CO 0.62 0.35 0.35 0.93 -1.51 0.00 0.00 179.97 180.71 3ip4 h GLU 7 N 0.54 0.66 -0.93 0.20 3.07 -1.99 -1.33 114.58 114.81 3ip4 h GLU 7 Ca 0.17 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3ip4 h GLU 7 Cb -0.02 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 27.70 3ip4 h GLU 7 CO -0.06 0.44 0.58 1.49 -1.40 0.00 0.00 179.01 180.06 3ip4 h GLU 8 N 0.68 1.24 -0.10 2.33 4.57 -1.91 0.76 114.58 122.15 3ip4 h GLU 8 Ca 0.24 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3ip4 h GLU 8 Cb 0.05 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 3ip4 h GLU 8 CO -0.12 0.85 0.05 0.28 -1.18 0.00 0.00 179.01 178.89 3ip4 h VAL 9 N 1.27 1.11 -0.38 0.32 2.07 -0.92 -1.19 116.25 118.52 3ip4 h VAL 9 Ca 0.34 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3ip4 h VAL 9 Cb -0.09 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ip4 h VAL 9 CO -0.07 0.10 0.10 -0.33 0.02 0.00 0.00 177.57 177.38 3ip4 h GLU 10 N 0.04 0.56 -0.36 1.57 5.08 -0.89 -1.26 114.58 119.32 3ip4 h GLU 10 Ca 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3ip4 h GLU 10 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3ip4 h GLU 10 CO -0.00 0.52 0.12 1.25 -1.00 0.00 0.00 179.01 179.89 3ip4 h HIS 11 N 0.55 0.58 -0.44 4.33 2.76 -0.45 -0.65 115.15 121.82 3ip4 h HIS 11 Ca 0.13 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3ip4 h HIS 11 Cb 0.21 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3ip4 h HIS 11 CO 0.01 0.55 0.15 0.82 -1.30 0.00 0.00 177.93 178.16 3ip4 h ILE 12 N 0.44 1.21 -0.86 6.26 1.08 -0.73 -0.90 117.51 124.02 3ip4 h ILE 12 Ca 0.12 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3ip4 h ILE 12 Cb 0.24 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 3ip4 h ILE 12 CO -0.01 0.25 0.56 0.00 -0.69 0.00 0.00 178.15 178.27 3ip4 h ALA 13 N 1.00 1.44 -0.38 1.87 0.00 -1.04 -0.39 119.26 121.78 3ip4 h ALA 13 Ca 0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3ip4 h ALA 13 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ip4 h ALA 13 CO -0.01 0.48 -0.37 -0.91 0.00 0.00 0.00 179.25 178.45 3ip4 h ASN 14 N 1.10 0.95 -0.38 0.00 2.35 -0.70 0.76 115.58 119.66 3ip4 h ASN 14 Ca 0.33 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3ip4 h ASN 14 Cb -0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3ip4 h ASN 14 CO -0.09 1.21 0.10 0.25 -1.65 0.00 0.00 177.43 177.24 3ip4 h LEU 15 N 0.74 0.64 -0.77 1.61 5.85 -0.49 -1.86 115.31 121.03 3ip4 h LEU 15 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3ip4 h LEU 15 Cb 0.95 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3ip4 h LEU 15 CO 0.09 0.64 -0.08 0.00 -0.34 0.00 0.00 178.44 178.76 3ip4 n ALA 16 N -2.47 2.73 -3.60 1.25 0.00 -0.22 -4.96 120.51 113.25 3ip4 n ALA 16 Ca 0.03 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.82 3ip4 n ALA 16 Cb 0.22 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.54 3ip4 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ip4 n ARG 17 N -0.15 -3.02 -4.88 0.00 5.12 -0.19 -5.01 116.66 108.54 3ip4 n ARG 17 Ca 0.17 0.61 -0.26 0.00 -1.93 0.00 0.00 57.85 56.44 3ip4 n ARG 17 Cb 0.34 -4.94 -0.16 0.00 -1.16 0.00 0.00 32.46 26.54 3ip4 n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ip4 s LEU 18 N -6.33 1.96 0.47 0.55 1.43 0.08 -5.03 118.68 111.82 3ip4 s LEU 18 Ca 0.27 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 3ip4 s LEU 18 Cb -0.07 -0.99 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 3ip4 s LEU 18 CO 0.81 0.18 1.01 -1.58 0.23 0.00 0.00 176.35 177.00 3ip4 s GLN 19 N -0.12 3.93 -0.12 1.70 0.74 -1.26 -4.44 119.66 120.10 3ip4 s GLN 19 Ca -0.00 1.26 -0.07 0.00 0.05 0.00 0.00 55.36 56.60 3ip4 s GLN 19 Cb -0.10 -2.12 0.04 0.00 1.10 0.00 0.00 33.01 31.93 3ip4 s GLN 19 CO 0.01 -0.31 0.28 -1.50 -0.55 0.00 0.00 175.29 173.23 3ip4 s ILE 20 N -2.08 -0.03 0.57 -2.34 2.07 -1.26 -5.11 121.20 113.03 3ip4 s ILE 20 Ca 0.65 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 60.02 3ip4 s ILE 20 Cb -0.14 -0.42 0.05 0.00 0.13 0.00 0.00 42.46 42.08 3ip4 s ILE 20 CO 0.19 0.04 0.80 -0.94 -1.91 0.00 0.00 174.94 173.12 3ip4 s SER 21 N 1.06 5.12 0.20 4.50 1.04 -1.26 -4.89 113.70 119.47 3ip4 s SER 21 Ca -0.07 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 3ip4 s SER 21 Cb -0.08 -0.61 0.22 0.00 0.10 0.00 0.00 66.02 65.64 3ip4 s SER 21 CO -0.07 -1.26 1.80 -0.65 0.98 0.00 0.00 173.24 174.03 3ip4 h PRO 22 N 0.01 0.61 0.10 4.02 0.11 -2.02 0.96 132.00 135.80 3ip4 h PRO 22 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ip4 h PRO 22 Cb 1.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ip4 h PRO 22 CO 0.49 0.40 -0.05 0.93 -0.21 0.00 0.00 178.00 179.56 3ip4 h GLU 23 N 0.63 -0.13 -0.80 1.05 5.08 -2.00 -2.63 114.58 115.77 3ip4 h GLU 23 Ca 0.28 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 3ip4 h GLU 23 Cb 0.18 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3ip4 h GLU 23 CO -0.18 0.04 0.53 0.93 -1.00 0.00 0.00 179.01 179.33 3ip4 h GLU 24 N -0.27 0.98 -0.28 2.33 5.08 -1.88 -1.03 114.58 119.52 3ip4 h GLU 24 Ca -0.01 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3ip4 h GLU 24 Cb 0.23 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3ip4 h GLU 24 CO 0.02 0.65 0.16 1.15 -1.00 0.00 0.00 179.01 179.99 3ip4 h THR 25 N 1.01 1.03 -0.44 1.13 2.02 -0.60 0.31 112.91 117.36 3ip4 h THR 25 Ca 0.32 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 3ip4 h THR 25 Cb 0.02 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3ip4 h THR 25 CO -0.09 0.06 -0.11 -0.33 0.37 0.00 0.00 175.52 175.42 3ip4 h GLU 26 N 0.33 0.85 -0.02 6.66 3.07 -1.11 -1.37 114.58 122.99 3ip4 h GLU 26 Ca 0.11 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.67 3ip4 h GLU 26 Cb -0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 3ip4 h GLU 26 CO -0.05 0.96 -0.19 1.49 -1.40 0.00 0.00 179.01 179.83 3ip4 h GLU 27 N 0.69 -0.28 0.00 2.33 4.81 -0.82 -1.14 114.58 120.17 3ip4 h GLU 27 Ca 0.11 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3ip4 h GLU 27 Cb 0.65 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3ip4 h GLU 27 CO 0.04 -0.19 -0.21 0.52 -0.73 0.00 0.00 179.01 178.45 3ip4 h MET 28 N -0.29 0.00 -0.83 1.92 2.86 -0.89 1.00 114.93 118.70 3ip4 h MET 28 Ca 0.06 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3ip4 h MET 28 Cb 0.37 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 3ip4 h MET 28 CO -0.19 0.21 0.50 0.00 1.06 0.00 0.00 176.91 178.49 3ip4 h ALA 29 N 1.79 1.16 0.09 6.32 0.00 -0.05 0.69 119.26 129.26 3ip4 h ALA 29 Ca -0.00 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3ip4 h ALA 29 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ip4 h ALA 29 CO 0.03 0.19 -1.39 -0.91 0.00 0.00 0.00 179.25 177.17 3ip4 h ASN 30 N 0.88 0.31 -0.95 0.00 2.35 -0.82 -3.31 115.58 114.04 3ip4 h ASN 30 Ca 0.38 -0.82 0.17 0.00 -0.55 0.00 0.00 56.30 55.48 3ip4 h ASN 30 Cb 0.25 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 3ip4 h ASN 30 CO -0.20 1.60 0.60 0.74 -1.65 0.00 0.00 177.43 178.51 3ip4 h THR 31 N -0.41 0.77 -0.26 2.81 2.02 0.12 -1.38 112.91 116.59 3ip4 h THR 31 Ca -0.31 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3ip4 h THR 31 Cb 1.68 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3ip4 h THR 31 CO 0.02 0.13 0.10 0.25 0.37 0.00 0.00 175.52 176.38 3ip4 h LEU 32 N 0.69 0.36 0.36 2.58 5.85 0.28 -2.38 115.31 123.05 3ip4 h LEU 32 Ca 0.50 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3ip4 h LEU 32 Cb 0.85 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3ip4 h LEU 32 CO -0.26 0.43 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.02 3ip4 h GLU 33 N 0.27 -0.46 -1.08 1.25 4.57 -1.36 0.42 114.58 118.19 3ip4 h GLU 33 Ca 0.09 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.61 3ip4 h GLU 33 Cb 0.19 0.10 -0.12 0.00 -0.16 0.00 0.00 28.75 28.76 3ip4 h GLU 33 CO -0.01 -0.24 0.66 0.77 -1.18 0.00 0.00 179.01 179.01 3ip4 h SER 34 N -0.59 0.47 0.22 1.04 0.02 -1.37 0.47 113.55 113.81 3ip4 h SER 34 Ca -0.05 0.14 -0.32 0.00 -0.84 0.00 0.00 61.79 60.72 3ip4 h SER 34 Cb 0.43 0.08 0.04 0.00 0.14 0.00 0.00 62.40 63.09 3ip4 h SER 34 CO 0.08 -0.03 -1.39 0.40 -1.14 0.00 0.00 176.83 174.75 3ip4 h ILE 35 N 0.35 1.30 -0.76 3.27 2.04 -0.96 -3.04 117.51 119.71 3ip4 h ILE 35 Ca 0.69 -2.64 -0.04 0.00 1.00 0.00 0.00 64.86 63.87 3ip4 h ILE 35 Cb 1.71 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 40.76 3ip4 h ILE 35 CO -0.45 0.79 0.30 -0.07 0.00 0.00 0.00 178.15 178.73 3ip4 h LEU 36 N 0.13 1.04 -1.21 1.44 3.38 0.34 0.32 115.31 120.75 3ip4 h LEU 36 Ca -0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3ip4 h LEU 36 Cb 2.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 3ip4 h LEU 36 CO 0.26 0.93 0.21 0.44 0.09 0.00 0.00 178.44 180.36 3ip4 h ASP 37 N 1.09 0.68 -0.27 -0.43 3.32 -0.36 0.51 116.42 120.97 3ip4 h ASP 37 Ca 0.25 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3ip4 h ASP 37 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ip4 h ASP 37 CO -0.02 0.62 -0.11 0.15 -1.72 0.00 0.00 179.24 178.16 3ip4 h PHE 38 N 0.75 0.63 -0.41 4.55 3.57 -1.20 -3.06 116.94 121.76 3ip4 h PHE 38 Ca 0.18 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3ip4 h PHE 38 Cb 0.15 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3ip4 h PHE 38 CO 0.01 0.78 -0.07 0.00 -2.23 0.00 0.00 178.31 176.80 3ip4 h ALA 39 N 0.75 1.10 0.00 2.41 0.00 0.43 -2.74 119.26 121.22 3ip4 h ALA 39 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ip4 h ALA 39 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ip4 h ALA 39 CO 0.03 0.56 0.01 1.63 0.00 0.00 0.00 179.25 181.49 3ip4 n LYS 40 N -4.19 0.00 0.28 0.00 5.02 0.17 -1.93 118.16 117.51 3ip4 n LYS 40 Ca 0.02 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 3ip4 n LYS 40 Cb 0.33 -1.51 0.82 0.00 -0.02 0.00 0.00 35.03 34.65 3ip4 n LYS 40 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3ip4 h GLN 41 N 0.00 0.00 0.00 1.97 4.20 -1.56 -1.13 115.11 118.59 3ip4 h GLN 41 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3ip4 h GLN 41 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3ip4 h GLN 41 CO 0.00 0.04 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.18 3ip4 h ASN 42 N 0.00 0.00 0.24 1.46 -0.26 -1.64 -2.41 115.58 112.97 3ip4 h ASN 42 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ip4 h ASN 42 Cb 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3ip4 h ASN 42 CO 0.01 0.11 0.00 0.47 -1.06 0.00 0.00 177.43 176.95 3ip4 n ASP 43 N -3.80 0.00 -0.06 5.81 8.00 -0.43 -1.23 116.55 124.85 3ip4 n ASP 43 Ca -0.02 0.24 0.13 0.00 0.71 0.00 0.00 54.79 55.84 3ip4 n ASP 43 Cb 0.21 -0.35 0.34 0.00 -0.02 0.00 0.00 41.12 41.31 3ip4 n ASP 43 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ip4 n SER 44 N -1.35 0.56 -4.82 -2.24 7.64 -0.91 -4.86 113.62 107.65 3ip4 n SER 44 Ca 0.04 -0.34 -0.36 0.00 1.01 0.00 0.00 58.87 59.22 3ip4 n SER 44 Cb 0.09 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 3ip4 n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ip4 s ALA 45 N -2.85 3.46 -0.51 -0.43 0.00 -0.36 -5.03 121.76 116.04 3ip4 s ALA 45 Ca 0.16 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.05 3ip4 s ALA 45 Cb 0.18 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.59 3ip4 s ALA 45 CO 0.63 0.35 0.63 0.34 0.00 0.00 0.00 175.76 177.70 3ip4 s ASP 46 N -1.58 6.22 -0.27 0.00 -1.08 -1.26 -4.91 116.67 113.80 3ip4 s ASP 46 Ca 0.40 -0.92 0.11 0.00 -0.52 0.00 0.00 52.55 51.63 3ip4 s ASP 46 Cb -0.17 -2.29 0.55 0.00 -1.46 0.00 0.00 42.92 39.55 3ip4 s ASP 46 CO 0.21 -0.89 1.53 0.35 0.52 0.00 0.00 175.17 176.88 3ip4 n THR 47 N 5.62 2.56 -1.97 1.71 -2.24 -1.26 -4.96 114.28 113.74 3ip4 n THR 47 Ca -0.07 -2.26 -0.42 0.00 -2.27 0.00 0.00 64.05 59.03 3ip4 n THR 47 Cb 0.45 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 3ip4 n THR 47 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ip4 s GLU 48 N -3.08 4.21 0.00 -0.78 2.12 -1.26 -1.72 118.70 118.18 3ip4 s GLU 48 Ca 0.46 2.28 0.00 0.00 0.36 0.00 0.00 54.97 58.07 3ip4 s GLU 48 Cb 0.39 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 31.15 3ip4 s GLU 48 CO 0.05 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 3ip4 n GLY 49 N 3.97 0.40 3.69 -1.50 0.00 -1.26 -4.99 105.19 105.49 3ip4 n GLY 49 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3ip4 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ip4 s VAL 50 N -1.96 5.18 0.26 1.61 1.01 -0.70 -5.07 120.40 120.74 3ip4 s VAL 50 Ca 0.00 0.82 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 3ip4 s VAL 50 Cb 0.00 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3ip4 s VAL 50 CO 0.00 0.26 0.89 -1.61 0.00 0.00 0.00 175.10 174.65 3ip4 s GLU 51 N 1.16 4.65 0.49 2.72 0.41 -1.26 -5.04 118.70 121.83 3ip4 s GLU 51 Ca 0.22 1.31 -0.21 0.00 -0.41 0.00 0.00 54.97 55.88 3ip4 s GLU 51 Cb -0.15 -3.06 -0.07 0.00 -1.78 0.00 0.00 34.13 29.07 3ip4 s GLU 51 CO 0.09 0.43 1.09 -1.25 -0.49 0.00 0.00 175.26 175.13 3ip4 s PRO 52 N -1.58 3.67 -0.35 0.39 0.04 -1.26 -5.01 135.00 130.90 3ip4 s PRO 52 Ca 0.44 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3ip4 s PRO 52 Cb -0.22 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3ip4 s PRO 52 CO 0.27 -0.57 0.39 0.99 0.04 0.00 0.00 177.00 178.12 3ip4 s THR 53 N -1.79 5.14 -0.26 1.26 2.01 -1.26 -4.90 115.64 115.84 3ip4 s THR 53 Ca 0.68 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.71 3ip4 s THR 53 Cb -0.22 -3.87 -0.16 0.00 0.01 0.00 0.00 72.50 68.26 3ip4 s THR 53 CO 0.26 -0.15 -0.25 -1.22 -0.69 0.00 0.00 174.62 172.57 3ip4 n TYR 54 N 5.46 0.00 -4.04 4.92 4.01 -1.26 -4.89 117.16 121.36 3ip4 n TYR 54 Ca -0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.34 3ip4 n TYR 54 Cb 0.49 -0.99 -0.16 0.00 -0.31 0.00 0.00 39.34 38.37 3ip4 n TYR 54 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3ip4 s HIS 55 N -2.51 2.70 0.08 -0.72 3.76 -1.26 -5.00 115.29 112.34 3ip4 s HIS 55 Ca -0.35 -1.78 0.19 0.00 -0.15 0.00 0.00 55.06 52.97 3ip4 s HIS 55 Cb 0.10 -1.77 0.61 0.00 1.11 0.00 0.00 32.58 32.63 3ip4 s HIS 55 CO 0.58 -0.79 1.69 -0.24 -0.85 0.00 0.00 174.74 175.13 3ip4 h VAL 56 N 6.38 0.77 -3.21 -0.90 3.04 -2.01 -3.44 116.25 116.89 3ip4 h VAL 56 Ca -0.30 -1.56 -0.59 0.00 -1.01 0.00 0.00 66.70 63.25 3ip4 h VAL 56 Cb 1.09 1.99 -0.07 0.00 -2.01 0.00 0.00 31.29 32.30 3ip4 h VAL 56 CO 0.51 0.35 -0.16 -0.22 -1.01 0.00 0.00 177.57 177.03 3ip4 s LEU 57 N -6.84 4.37 -1.08 3.16 2.96 -1.26 -5.01 118.68 114.98 3ip4 s LEU 57 Ca 0.01 0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 54.60 3ip4 s LEU 57 Cb 0.10 -2.65 0.07 0.00 0.50 0.00 0.00 46.19 44.21 3ip4 s LEU 57 CO 0.68 0.15 1.48 -0.62 -1.32 0.00 0.00 176.35 176.72 3ip4 s ASP 58 N -0.16 6.62 -0.26 3.68 2.15 -1.26 -4.87 116.67 122.58 3ip4 s ASP 58 Ca 0.25 -1.83 -0.17 0.00 0.43 0.00 0.00 52.55 51.23 3ip4 s ASP 58 Cb -0.16 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 3ip4 s ASP 58 CO 0.12 -1.34 0.64 -0.22 -0.17 0.00 0.00 175.17 174.20 3ip4 s LEU 59 N 4.37 -0.72 0.24 -1.34 2.96 -1.26 -5.17 118.68 117.75 3ip4 s LEU 59 Ca 0.46 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.76 3ip4 s LEU 59 Cb 0.00 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.85 3ip4 s LEU 59 CO -0.05 -0.23 0.14 -1.10 -1.32 0.00 0.00 176.35 173.78 3ip4 s GLN 60 N 1.30 1.34 -1.17 1.98 1.11 -1.26 -4.97 119.66 117.99 3ip4 s GLN 60 Ca -0.08 -1.73 -0.17 0.00 0.01 0.00 0.00 55.36 53.40 3ip4 s GLN 60 Cb -0.05 0.11 -0.01 0.00 -1.01 0.00 0.00 33.01 32.04 3ip4 s GLN 60 CO -0.14 -0.40 0.76 0.09 0.01 0.00 0.00 175.29 175.61 3ip4 n ASN 61 N -0.50 -4.63 -4.26 5.90 3.02 -1.26 -4.96 115.26 108.56 3ip4 n ASN 61 Ca 0.02 -0.99 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 3ip4 n ASN 61 Cb 0.66 -3.47 -0.09 0.00 -0.61 0.00 0.00 39.78 36.26 3ip4 n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ip4 s VAL 62 N -3.52 4.35 0.08 2.41 1.01 -1.26 -5.06 120.40 118.41 3ip4 s VAL 62 Ca 0.40 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 60.97 3ip4 s VAL 62 Cb -0.14 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3ip4 s VAL 62 CO 0.86 -0.61 -0.22 -0.76 0.00 0.00 0.00 175.10 174.36 3ip4 s LEU 63 N 1.43 2.25 -0.18 3.92 2.01 -1.26 -5.14 118.68 121.71 3ip4 s LEU 63 Ca 0.04 -0.63 -0.12 0.00 0.01 0.00 0.00 54.13 53.43 3ip4 s LEU 63 Cb -0.24 -0.99 -0.05 0.00 0.01 0.00 0.00 46.19 44.92 3ip4 s LEU 63 CO 0.02 0.12 0.20 -0.60 1.01 0.00 0.00 176.35 177.10 3ip4 s ARG 64 N -1.62 4.21 0.50 1.70 3.52 -1.26 -5.07 118.95 120.93 3ip4 s ARG 64 Ca 0.08 -0.09 -0.24 0.00 -0.13 0.00 0.00 55.73 55.36 3ip4 s ARG 64 Cb -0.10 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 3ip4 s ARG 64 CO 0.03 0.28 1.39 0.39 -0.81 0.00 0.00 175.30 176.59 3ip4 n GLU 65 N 3.52 1.98 -2.04 5.12 -0.58 -1.26 -4.84 120.64 122.54 3ip4 n GLU 65 Ca -0.14 0.72 -0.39 0.00 -0.42 0.00 0.00 57.16 56.92 3ip4 n GLU 65 Cb 0.52 -2.60 -0.03 0.00 -0.57 0.00 0.00 31.44 28.77 3ip4 n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3ip4 n ASP 66 N -0.55 3.83 -3.98 1.62 2.03 -1.26 -4.87 116.55 113.36 3ip4 n ASP 66 Ca 0.08 -2.81 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 3ip4 n ASP 66 Cb 0.43 -1.63 -0.16 0.00 -0.72 0.00 0.00 41.12 39.04 3ip4 n ASP 66 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ip4 s LYS 67 N 4.76 2.00 0.42 -0.67 1.02 -1.26 -5.12 119.74 120.88 3ip4 s LYS 67 Ca 0.57 -0.71 -0.24 0.00 0.02 0.00 0.00 55.97 55.61 3ip4 s LYS 67 Cb 0.06 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.03 3ip4 s LYS 67 CO 0.07 -0.38 1.12 0.00 -0.92 0.00 0.00 175.35 175.25 3ip4 s ALA 68 N 1.46 3.08 -0.12 5.17 0.00 -1.26 -5.04 121.76 125.05 3ip4 s ALA 68 Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3ip4 s ALA 68 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ip4 s ALA 68 CO -0.09 -0.45 -0.12 0.42 0.00 0.00 0.00 175.76 175.53 3ip4 s ILE 69 N -1.54 1.29 0.23 0.00 1.01 -1.26 -5.10 121.20 115.83 3ip4 s ILE 69 Ca 0.59 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 3ip4 s ILE 69 Cb -0.27 -1.23 -0.16 0.00 0.01 0.00 0.00 42.46 40.81 3ip4 s ILE 69 CO 0.33 0.41 0.81 1.17 0.00 0.00 0.00 174.94 177.66 3ip4 n LYS 70 N 4.63 0.72 -1.18 2.79 4.81 -1.26 -4.94 118.16 123.73 3ip4 n LYS 70 Ca -0.16 0.25 -0.30 0.00 -0.87 0.00 0.00 58.31 57.24 3ip4 n LYS 70 Cb 0.50 -1.48 0.14 0.00 0.02 0.00 0.00 35.03 34.22 3ip4 n LYS 70 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3ip4 s GLY 71 N -0.69 1.61 0.68 3.14 0.00 -1.26 -5.02 107.32 105.78 3ip4 s GLY 71 Ca 0.63 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 3ip4 s GLY 71 CO 0.58 0.42 1.06 -0.26 0.00 0.00 0.00 173.10 174.90 3ip4 s ILE 72 N -2.92 4.04 0.66 0.90 -4.36 -1.26 -5.00 121.20 113.25 3ip4 s ILE 72 Ca 0.64 0.66 -0.18 0.00 -0.26 0.00 0.00 60.65 61.51 3ip4 s ILE 72 Cb -0.18 -3.59 -0.00 0.00 1.25 0.00 0.00 42.46 39.94 3ip4 s ILE 72 CO 0.57 -0.86 1.28 -2.84 0.24 0.00 0.00 174.94 173.33 3ip4 s PRO 73 N -5.21 2.48 0.25 0.37 0.02 -1.26 -4.82 135.00 126.82 3ip4 s PRO 73 Ca 0.57 2.03 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 3ip4 s PRO 73 Cb -0.12 -1.84 0.35 0.00 0.02 0.00 0.00 34.50 32.91 3ip4 s PRO 73 CO 0.53 -1.64 1.85 0.37 -0.33 0.00 0.00 177.00 177.78 3ip4 h GLN 74 N 0.42 0.95 -0.97 5.54 4.15 -1.99 -1.89 115.11 121.32 3ip4 h GLN 74 Ca -0.50 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 58.91 3ip4 h GLN 74 Cb 1.33 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.75 3ip4 h GLN 74 CO 0.53 0.63 0.63 1.49 -1.93 0.00 0.00 178.83 180.17 3ip4 h GLU 75 N 0.98 1.15 -0.18 1.69 4.22 -1.98 -1.88 114.58 118.57 3ip4 h GLU 75 Ca 0.39 -0.07 -0.17 0.00 0.08 0.00 0.00 59.36 59.59 3ip4 h GLU 75 Cb 0.20 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ip4 h GLU 75 CO -0.18 0.76 -0.59 1.25 -2.18 0.00 0.00 179.01 178.07 3ip4 h LEU 76 N 1.18 0.66 -1.50 1.64 5.85 -1.72 -0.72 115.31 120.69 3ip4 h LEU 76 Ca 0.40 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ip4 h LEU 76 Cb 0.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ip4 h LEU 76 CO -0.14 1.10 -0.15 0.00 -0.34 0.00 0.00 178.44 178.91 3ip4 h ALA 77 N 0.91 1.10 -0.00 1.25 0.00 -0.79 -2.98 119.26 118.75 3ip4 h ALA 77 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ip4 h ALA 77 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ip4 h ALA 77 CO 0.11 0.18 -0.73 1.28 0.00 0.00 0.00 179.25 180.10 3ip4 n LEU 78 N -3.40 0.82 -0.35 0.00 4.77 -0.76 -4.71 117.00 113.36 3ip4 n LEU 78 Ca -0.01 -0.52 0.11 0.00 -0.03 0.00 0.00 56.01 55.56 3ip4 n LEU 78 Cb 0.33 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.65 3ip4 n LEU 78 CO 0.31 0.20 0.74 0.50 -1.33 0.00 0.00 177.39 177.81 3ip4 h LYS 79 N 0.12 0.01 -0.26 3.23 3.64 -0.97 -0.62 116.57 121.72 3ip4 h LYS 79 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ip4 h LYS 79 Cb 0.39 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3ip4 h LYS 79 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 3ip4 n ASN 80 N -5.55 2.48 -4.70 4.20 3.02 -1.26 -4.92 115.26 108.54 3ip4 n ASN 80 Ca 0.20 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.48 3ip4 n ASN 80 Cb 0.64 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 3ip4 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ip4 s ALA 81 N -1.66 3.30 0.08 5.41 0.00 -0.24 -4.96 121.76 123.68 3ip4 s ALA 81 Ca 0.35 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 3ip4 s ALA 81 Cb 0.20 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 3ip4 s ALA 81 CO 0.28 -0.41 1.62 -0.22 0.00 0.00 0.00 175.76 177.03 3ip4 h LYS 82 N 6.96 0.21 -5.20 0.00 1.63 -1.91 -3.42 116.57 114.83 3ip4 h LYS 82 Ca -0.36 -0.04 -0.67 0.00 -0.85 0.00 0.00 60.65 58.73 3ip4 h LYS 82 Cb 1.18 -0.03 -0.32 0.00 -0.60 0.00 0.00 32.23 32.46 3ip4 h LYS 82 CO 0.80 0.30 -0.83 -1.21 -3.45 0.00 0.00 179.45 175.06 3ip4 s GLU 83 N -5.56 3.13 0.12 1.90 0.41 -1.26 -5.11 118.70 112.33 3ip4 s GLU 83 Ca -0.14 -0.80 -0.06 0.00 -0.41 0.00 0.00 54.97 53.57 3ip4 s GLU 83 Cb 0.06 -2.54 -0.02 0.00 -1.78 0.00 0.00 34.13 29.86 3ip4 s GLU 83 CO 0.69 0.01 0.15 0.95 -0.49 0.00 0.00 175.26 176.58 3ip4 s THR 84 N 0.80 0.12 -0.29 3.63 -4.23 -1.26 -1.94 115.64 112.47 3ip4 s THR 84 Ca -0.06 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 3ip4 s THR 84 Cb -0.15 -1.68 0.15 0.00 1.34 0.00 0.00 72.50 72.15 3ip4 s THR 84 CO -0.01 -0.55 0.95 -0.70 -0.54 0.00 0.00 174.62 173.77 3ip4 s GLU 85 N -3.95 0.38 -1.45 3.99 2.12 0.40 -4.79 118.70 115.41 3ip4 s GLU 85 Ca 0.13 0.73 -0.10 0.00 0.36 0.00 0.00 54.97 56.10 3ip4 s GLU 85 Cb 0.05 0.21 0.05 0.00 0.26 0.00 0.00 34.13 34.70 3ip4 s GLU 85 CO -0.05 -0.09 0.97 -0.25 -0.54 0.00 0.00 175.26 175.30 3ip4 n ASP 86 N 4.14 -4.32 -0.14 -1.70 8.00 -1.26 -1.75 116.55 119.51 3ip4 n ASP 86 Ca -0.16 -0.74 -0.02 0.00 0.71 0.00 0.00 54.79 54.59 3ip4 n ASP 86 Cb 0.56 -4.18 -0.01 0.00 -0.02 0.00 0.00 41.12 37.47 3ip4 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ip4 n GLY 87 N -1.71 0.51 3.24 0.44 0.00 -1.26 -5.02 105.19 101.39 3ip4 n GLY 87 Ca -0.04 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 3ip4 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip4 s GLN 88 N -1.18 1.03 0.07 1.61 -0.21 -0.72 -5.04 119.66 115.23 3ip4 s GLN 88 Ca 0.00 -1.32 -0.31 0.00 0.02 0.00 0.00 55.36 53.75 3ip4 s GLN 88 Cb 0.00 -0.76 -0.06 0.00 1.00 0.00 0.00 33.01 33.19 3ip4 s GLN 88 CO 0.00 0.12 1.22 -0.06 -2.12 0.00 0.00 175.29 174.45 3ip4 s PHE 89 N -2.66 3.42 -0.23 0.91 0.08 -1.26 -0.45 117.98 117.78 3ip4 s PHE 89 Ca 0.12 1.27 -0.09 0.00 0.12 0.00 0.00 56.93 58.35 3ip4 s PHE 89 Cb -0.02 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.94 3ip4 s PHE 89 CO 0.02 -1.39 0.11 0.21 -0.10 0.00 0.00 175.22 174.06 3ip4 s LYS 90 N 0.99 3.88 0.04 0.44 2.20 -0.82 -4.86 119.74 121.61 3ip4 s LYS 90 Ca 0.59 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.81 3ip4 s LYS 90 Cb -0.30 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 3ip4 s LYS 90 CO 0.30 -0.01 -0.01 0.14 -0.36 0.00 0.00 175.35 175.41 3ip4 s VAL 91 N 1.19 0.17 0.39 4.02 -7.23 -1.26 -4.74 120.40 112.94 3ip4 s VAL 91 Ca 0.06 -1.40 -0.24 0.00 -1.81 0.00 0.00 61.98 58.59 3ip4 s VAL 91 Cb -0.14 -1.01 -0.12 0.00 0.56 0.00 0.00 36.38 35.67 3ip4 s VAL 91 CO 0.04 -0.77 0.73 -2.65 -0.31 0.00 0.00 175.10 172.14 3ip4 n PRO 92 N 0.70 0.83 -1.57 4.82 -0.02 -1.26 -4.74 135.00 133.76 3ip4 n PRO 92 Ca -0.18 0.30 -0.56 0.00 -2.02 0.00 0.00 63.50 61.03 3ip4 n PRO 92 Cb 0.59 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 3ip4 n PRO 92 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3ip4 n THR 93 N -0.58 0.02 0.98 3.45 5.66 -1.26 -5.31 114.28 117.24 3ip4 n THR 93 Ca 0.11 -0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.23 3ip4 n THR 93 Cb 0.37 -0.46 0.10 0.00 -1.55 0.00 0.00 70.33 68.79 3ip4 n THR 93 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64