#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip1 s VAL 2 N 0.00 3.48 0.58 3.15 1.01 -1.26 -0.99 120.40 126.37 1ip1 s VAL 2 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1ip1 s VAL 2 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ip1 s VAL 2 CO 0.00 -0.22 1.08 -0.36 0.00 0.00 0.00 175.10 175.60 1ip1 s PHE 3 N 1.33 2.83 0.20 5.22 0.08 -0.22 -4.99 117.98 122.43 1ip1 s PHE 3 Ca -0.02 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.51 1ip1 s PHE 3 Cb -0.20 -3.12 -0.06 0.00 -0.57 0.00 0.00 43.02 39.07 1ip1 s PHE 3 CO 0.01 -1.31 0.47 -1.21 -0.10 0.00 0.00 175.22 173.08 1ip1 s GLU 4 N -3.75 3.68 0.02 0.44 2.02 -1.26 -4.83 118.70 115.01 1ip1 s GLU 4 Ca 0.67 0.04 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 1ip1 s GLU 4 Cb -0.19 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 1ip1 s GLU 4 CO 0.33 0.36 1.06 -0.09 0.02 0.00 0.00 175.26 176.94 1ip1 h ARG 5 N 2.45 -0.00 -0.05 1.61 2.43 -1.97 -1.62 114.38 117.23 1ip1 h ARG 5 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1ip1 h ARG 5 Cb 1.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1ip1 h ARG 5 CO 0.70 -0.00 -0.25 0.00 -1.51 0.00 0.00 179.97 178.90 1ip1 h GLU 7 N 0.08 0.15 -0.48 0.00 4.81 -1.87 -1.47 114.58 115.79 1ip1 h GLU 7 Ca 0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1ip1 h GLU 7 Cb 0.49 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1ip1 h GLU 7 CO 0.03 0.10 0.10 1.25 -0.73 0.00 0.00 179.01 179.76 1ip1 h LEU 8 N 0.15 0.75 -0.58 1.64 5.85 -0.82 -1.12 115.31 121.18 1ip1 h LEU 8 Ca 0.08 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1ip1 h LEU 8 Cb 0.05 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1ip1 h LEU 8 CO -0.08 0.80 0.26 0.00 -0.34 0.00 0.00 178.44 179.09 1ip1 h ALA 9 N 0.97 0.75 -0.23 1.25 0.00 -0.87 0.69 119.26 121.82 1ip1 h ALA 9 Ca 0.15 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ip1 h ALA 9 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ip1 h ALA 9 CO 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 179.25 178.73 1ip1 h ARG 10 N 0.49 0.54 -0.48 0.00 3.08 -1.14 -1.51 114.38 115.37 1ip1 h ARG 10 Ca 0.27 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ip1 h ARG 10 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1ip1 h ARG 10 CO -0.22 0.86 0.24 1.15 -1.07 0.00 0.00 179.97 180.93 1ip1 h THR 11 N 0.45 1.19 -0.48 2.04 2.02 -0.43 -0.43 112.91 117.26 1ip1 h THR 11 Ca 0.04 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1ip1 h THR 11 Cb 0.91 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1ip1 h THR 11 CO 0.08 0.20 0.02 -0.07 0.37 0.00 0.00 175.52 176.12 1ip1 h LEU 12 N 0.64 0.81 -0.30 2.58 3.38 -0.76 -2.59 115.31 119.06 1ip1 h LEU 12 Ca 0.17 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ip1 h LEU 12 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ip1 h LEU 12 CO -0.02 0.91 0.18 0.50 0.09 0.00 0.00 178.44 180.09 1ip1 h LYS 13 N 0.69 0.35 -0.19 1.13 3.64 -0.98 -1.86 116.57 119.36 1ip1 h LYS 13 Ca 0.14 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1ip1 h LYS 13 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1ip1 h LYS 13 CO 0.02 0.23 0.13 0.00 -2.27 0.00 0.00 179.45 177.56 1ip1 h ARG 14 N 0.36 0.07 -0.07 1.90 3.08 -0.96 -1.41 114.38 117.34 1ip1 h ARG 14 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ip1 h ARG 14 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ip1 h ARG 14 CO -0.05 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1ip1 n LEU 15 N -4.49 0.72 0.00 3.04 4.77 -0.75 -4.91 117.00 115.37 1ip1 n LEU 15 Ca 0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1ip1 n LEU 15 Cb 0.22 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1ip1 n LEU 15 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1ip1 n GLY 16 N 0.92 0.53 0.14 -0.72 0.00 -0.53 -4.98 105.19 100.56 1ip1 n GLY 16 Ca 0.14 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1ip1 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ip1 h MET 17 N 0.00 0.00 -6.06 1.61 2.86 -1.59 -3.40 114.93 108.35 1ip1 h MET 17 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1ip1 h MET 17 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ip1 h MET 17 CO 0.00 0.00 1.39 0.34 1.06 0.00 0.00 176.91 179.70 1ip1 s ASP 18 N -5.53 5.48 0.00 1.22 -1.08 -1.26 -2.09 116.67 113.41 1ip1 s ASP 18 Ca 0.02 1.29 0.00 0.00 -0.52 0.00 0.00 52.55 53.34 1ip1 s ASP 18 Cb 0.08 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1ip1 s ASP 18 CO 0.75 -2.04 0.00 0.61 0.52 0.00 0.00 175.17 175.01 1ip1 n GLY 19 N 5.63 0.57 3.67 2.66 0.00 0.47 -4.93 105.19 113.27 1ip1 n GLY 19 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1ip1 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ip1 n TYR 20 N -2.85 2.53 -3.61 1.61 9.36 -0.89 -0.95 117.16 122.35 1ip1 n TYR 20 Ca 0.00 -0.25 -0.27 0.00 3.32 0.00 0.00 57.90 60.70 1ip1 n TYR 20 Cb 0.00 -2.76 0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1ip1 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ip1 n ARG 21 N 6.75 -4.23 -1.01 2.98 5.12 -1.26 -1.14 116.66 123.86 1ip1 n ARG 21 Ca 0.20 0.55 -0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1ip1 n ARG 21 Cb 0.38 -5.34 -0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1ip1 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ip1 n GLY 22 N -1.41 0.42 3.58 -0.13 0.00 -0.13 -5.00 105.19 102.52 1ip1 n GLY 22 Ca 0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1ip1 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ip1 s ILE 23 N -1.80 5.30 0.76 -0.61 1.01 -0.29 -4.91 121.20 120.66 1ip1 s ILE 23 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 1ip1 s ILE 23 Cb 0.00 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.96 1ip1 s ILE 23 CO 0.00 0.21 1.10 -0.94 0.00 0.00 0.00 174.94 175.31 1ip1 s SER 24 N 1.75 4.48 0.22 3.58 1.04 -1.26 -0.40 113.70 123.10 1ip1 s SER 24 Ca 0.07 1.91 -0.10 0.00 0.48 0.00 0.00 55.95 58.32 1ip1 s SER 24 Cb -0.16 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.60 1ip1 s SER 24 CO 0.11 -2.05 1.89 0.25 0.98 0.00 0.00 173.24 174.41 1ip1 h LEU 25 N -0.93 0.90 -1.34 2.42 5.85 -1.92 -2.13 115.31 118.17 1ip1 h LEU 25 Ca -0.44 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1ip1 h LEU 25 Cb 1.24 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1ip1 h LEU 25 CO 0.51 0.65 0.49 0.00 -0.34 0.00 0.00 178.44 179.74 1ip1 h ALA 26 N 1.30 1.64 -0.52 1.25 0.00 -1.92 0.30 119.26 121.31 1ip1 h ALA 26 Ca 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ip1 h ALA 26 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ip1 h ALA 26 CO -0.07 0.25 0.10 -0.91 0.00 0.00 0.00 179.25 178.63 1ip1 h ASN 27 N 0.82 0.81 -0.57 0.00 2.35 -1.73 0.52 115.58 117.77 1ip1 h ASN 27 Ca 0.31 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1ip1 h ASN 27 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1ip1 h ASN 27 CO -0.10 0.85 0.15 -0.50 -1.65 0.00 0.00 177.43 176.18 1ip1 h TRP 28 N 0.74 0.95 -0.55 1.19 4.06 -0.90 -1.05 115.95 120.37 1ip1 h TRP 28 Ca 0.16 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 1ip1 h TRP 28 Cb 0.37 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1ip1 h TRP 28 CO 0.03 0.80 0.22 0.52 -3.56 0.00 0.00 178.44 176.45 1ip1 h MET 29 N 0.81 0.82 -0.82 0.49 2.86 -0.79 -0.31 114.93 117.99 1ip1 h MET 29 Ca 0.18 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1ip1 h MET 29 Cb 0.32 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1ip1 h MET 29 CO -0.00 0.71 0.40 0.00 1.06 0.00 0.00 176.91 179.08 1ip1 h LEU 31 N 1.16 -0.04 -0.97 0.00 5.85 -0.75 -2.19 115.31 118.37 1ip1 h LEU 31 Ca 0.28 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ip1 h LEU 31 Cb 0.12 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1ip1 h LEU 31 CO -0.04 0.11 0.32 0.00 -0.34 0.00 0.00 178.44 178.49 1ip1 h ALA 32 N 0.77 1.19 0.19 1.25 0.00 -0.83 -0.28 119.26 121.55 1ip1 h ALA 32 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ip1 h ALA 32 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ip1 h ALA 32 CO 0.01 0.60 -0.09 -0.22 0.00 0.00 0.00 179.25 179.55 1ip1 h LYS 33 N 1.05 -0.24 0.00 0.00 1.63 -0.94 -1.04 116.57 117.03 1ip1 h LYS 33 Ca 0.25 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1ip1 h LYS 33 Cb 0.15 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1ip1 h LYS 33 CO -0.03 -0.13 -0.36 -1.49 -3.45 0.00 0.00 179.45 174.00 1ip1 h TRP 34 N -0.29 0.00 0.23 1.91 4.06 -1.25 0.78 115.95 121.39 1ip1 h TRP 34 Ca -0.03 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.62 1ip1 h TRP 34 Cb 0.22 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.42 1ip1 h TRP 34 CO -0.05 0.36 -1.33 0.93 -3.56 0.00 0.00 178.44 174.78 1ip1 h GLU 35 N 0.00 0.50 0.00 0.49 4.39 -0.96 -3.43 114.58 115.57 1ip1 h GLU 35 Ca -0.00 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.85 1ip1 h GLU 35 Cb 1.08 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1ip1 h GLU 35 CO 0.05 1.40 0.00 -1.13 -1.16 0.00 0.00 179.01 178.17 1ip1 n SER 36 N -3.81 0.00 -2.91 1.42 3.41 -0.43 -4.81 113.62 106.49 1ip1 n SER 36 Ca -0.16 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.23 1ip1 n SER 36 Cb 1.04 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.03 1ip1 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ip1 n ALA 37 N 0.00 -0.94 -2.18 7.33 0.00 0.27 -2.04 120.51 122.94 1ip1 n ALA 37 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ip1 n ALA 37 Cb 0.26 -3.85 -0.01 0.00 0.00 0.00 0.00 19.45 15.85 1ip1 n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ip1 n TYR 38 N -4.49 -0.61 -3.57 0.00 0.53 -1.18 -4.76 117.16 103.08 1ip1 n TYR 38 Ca -0.10 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.37 1ip1 n TYR 38 Cb 0.61 -2.97 -0.11 0.00 -1.03 0.00 0.00 39.34 35.84 1ip1 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ip1 s ASN 39 N -2.41 5.81 0.48 7.72 2.47 -0.87 -1.05 114.94 127.09 1ip1 s ASN 39 Ca 0.00 -1.00 0.33 0.00 0.42 0.00 0.00 52.86 52.61 1ip1 s ASN 39 Cb 0.00 -2.05 1.60 0.00 -1.45 0.00 0.00 41.25 39.35 1ip1 s ASN 39 CO 0.00 -0.40 1.99 0.71 -3.72 0.00 0.00 177.10 175.67 1ip1 h THR 40 N 5.84 0.00 -0.02 -5.21 1.35 -1.38 -2.42 112.91 111.07 1ip1 h THR 40 Ca -0.26 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1ip1 h THR 40 Cb 1.11 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ip1 h THR 40 CO 0.68 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 176.41 1ip1 n ARG 41 N -2.74 1.73 -1.74 4.72 1.74 -1.26 -4.03 116.66 115.08 1ip1 n ARG 41 Ca -0.01 -1.23 -0.42 0.00 -0.77 0.00 0.00 57.85 55.43 1ip1 n ARG 41 Cb 0.16 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1ip1 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip1 n ALA 42 N 0.44 1.86 -3.16 7.54 0.00 -0.92 -4.78 120.51 121.50 1ip1 n ALA 42 Ca 0.15 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1ip1 n ALA 42 Cb 0.45 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 1ip1 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ip1 s THR 43 N -1.12 0.02 -0.12 0.00 -4.23 -1.26 -0.68 115.64 108.25 1ip1 s THR 43 Ca 0.55 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1ip1 s THR 43 Cb -0.51 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 72.97 1ip1 s THR 43 CO 0.62 -0.10 0.19 0.21 -0.54 0.00 0.00 174.62 175.00 1ip1 s ASN 44 N -0.35 0.85 0.03 3.99 2.47 -0.72 -4.96 114.94 116.24 1ip1 s ASN 44 Ca -0.05 0.24 -0.21 0.00 0.42 0.00 0.00 52.86 53.26 1ip1 s ASN 44 Cb -0.03 0.37 -0.06 0.00 -1.45 0.00 0.00 41.25 40.08 1ip1 s ASN 44 CO 0.01 -0.26 0.63 -0.47 -3.72 0.00 0.00 177.10 173.29 1ip1 s TYR 45 N 2.32 3.73 -0.58 0.43 6.14 -1.26 -0.87 117.35 127.27 1ip1 s TYR 45 Ca 0.03 1.29 -0.07 0.00 0.64 0.00 0.00 57.07 58.97 1ip1 s TYR 45 Cb -0.13 -2.63 0.15 0.00 0.42 0.00 0.00 41.96 39.77 1ip1 s TYR 45 CO -0.08 0.40 0.43 -0.80 0.64 0.00 0.00 175.55 176.14 1ip1 s ASN 46 N -0.43 5.64 0.54 4.32 0.01 0.37 -4.95 114.94 120.44 1ip1 s ASN 46 Ca 0.32 -2.41 0.22 0.00 -0.71 0.00 0.00 52.86 50.28 1ip1 s ASN 46 Cb -0.19 -1.96 1.43 0.00 0.41 0.00 0.00 41.25 40.94 1ip1 s ASN 46 CO 0.19 -0.53 2.11 0.00 -1.51 0.00 0.00 177.10 177.36 1ip1 h ALA 47 N 7.75 2.04 -0.46 0.60 0.00 -1.96 0.15 119.26 127.39 1ip1 h ALA 47 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ip1 h ALA 47 Cb 1.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ip1 h ALA 47 CO 0.77 -0.22 0.26 0.78 0.00 0.00 0.00 179.25 180.84 1ip1 h GLY 48 N 0.00 0.68 -0.12 0.00 0.00 -1.95 -3.27 103.07 98.41 1ip1 h GLY 48 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ip1 h GLY 48 CO -0.00 0.29 0.00 2.09 0.00 0.00 0.00 176.54 178.92 1ip1 n ASP 49 N -4.70 2.12 -2.85 0.19 5.75 -1.10 -5.01 116.55 110.96 1ip1 n ASP 49 Ca 0.01 -2.10 -0.22 0.00 -0.01 0.00 0.00 54.79 52.47 1ip1 n ASP 49 Cb 0.07 -0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1ip1 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ip1 n ARG 50 N -0.50 -3.86 -4.00 0.11 1.74 0.02 -4.79 116.66 105.39 1ip1 n ARG 50 Ca 0.03 0.91 -0.23 0.00 -0.77 0.00 0.00 57.85 57.78 1ip1 n ARG 50 Cb 0.30 -5.70 -0.06 0.00 -1.02 0.00 0.00 32.46 25.98 1ip1 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ip1 s SER 51 N -2.50 4.69 0.00 0.55 1.04 -1.16 -4.46 113.70 111.86 1ip1 s SER 51 Ca 0.22 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1ip1 s SER 51 Cb -0.10 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1ip1 s SER 51 CO 0.27 -0.44 -0.09 -0.89 0.98 0.00 0.00 173.24 173.07 1ip1 s THR 52 N -2.48 0.71 -0.21 2.02 2.01 -1.26 -0.48 115.64 115.95 1ip1 s THR 52 Ca 0.41 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 1ip1 s THR 52 Cb -0.01 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1ip1 s THR 52 CO 0.24 0.14 0.16 -1.81 -0.69 0.00 0.00 174.62 172.66 1ip1 s ASP 53 N -0.38 6.20 -0.06 3.53 1.01 -0.05 -1.01 116.67 125.92 1ip1 s ASP 53 Ca 0.02 0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.54 1ip1 s ASP 53 Cb -0.04 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1ip1 s ASP 53 CO -0.00 0.13 -0.17 -0.31 0.21 0.00 0.00 175.17 175.03 1ip1 s TYR 54 N 0.64 2.64 0.00 4.23 2.02 0.45 -1.76 117.35 125.58 1ip1 s TYR 54 Ca 0.09 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1ip1 s TYR 54 Cb -0.12 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1ip1 s TYR 54 CO 0.01 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.45 1ip1 n GLY 55 N 2.60 -1.06 0.27 0.71 0.00 0.14 -1.54 105.19 106.30 1ip1 n GLY 55 Ca -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.74 1ip1 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip1 h ILE 56 N 0.00 0.91 -0.18 -0.61 2.10 -1.68 -1.22 117.51 116.81 1ip1 h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1ip1 h ILE 56 Cb 0.00 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1ip1 h ILE 56 CO 0.00 0.02 0.00 0.49 -1.08 0.00 0.00 178.15 177.58 1ip1 n PHE 57 N -4.36 0.23 -3.81 2.19 3.01 -1.26 -4.02 117.46 109.44 1ip1 n PHE 57 Ca -0.03 -0.20 -0.32 0.00 1.01 0.00 0.00 57.45 57.92 1ip1 n PHE 57 Cb 0.10 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.59 1ip1 n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ip1 n GLN 58 N 0.79 -1.71 -2.74 -1.08 1.13 -0.46 -4.90 117.38 108.40 1ip1 n GLN 58 Ca 0.11 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1ip1 n GLN 58 Cb 0.40 -4.05 -0.03 0.00 0.11 0.00 0.00 30.24 26.66 1ip1 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ip1 s ILE 59 N -3.62 4.82 0.28 5.09 1.01 -0.59 -4.45 121.20 123.75 1ip1 s ILE 59 Ca 0.34 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.71 1ip1 s ILE 59 Cb -0.13 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1ip1 s ILE 59 CO 0.88 0.20 1.00 0.21 0.00 0.00 0.00 174.94 177.23 1ip1 s ASN 60 N 0.82 7.38 0.15 3.58 3.84 -1.26 -0.41 114.94 129.04 1ip1 s ASN 60 Ca 0.50 2.04 0.25 0.00 0.21 0.00 0.00 52.86 55.86 1ip1 s ASN 60 Cb -0.21 -2.61 0.93 0.00 -0.55 0.00 0.00 41.25 38.81 1ip1 s ASN 60 CO 0.27 -0.04 1.77 -1.54 -2.79 0.00 0.00 177.10 174.77 1ip1 n SER 61 N 1.07 0.52 -0.01 -4.21 3.41 -0.18 -2.08 113.62 112.15 1ip1 n SER 61 Ca -0.00 0.57 -0.06 0.00 -0.26 0.00 0.00 58.87 59.12 1ip1 n SER 61 Cb 0.47 -0.70 0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1ip1 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ip1 h ARG 62 N 0.00 0.56 0.00 4.33 2.43 -1.84 -3.39 114.38 116.46 1ip1 h ARG 62 Ca 0.00 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1ip1 h ARG 62 Cb 0.56 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ip1 h ARG 62 CO 0.00 0.81 -1.00 0.66 -1.51 0.00 0.00 179.97 178.93 1ip1 n TYR 63 N -4.07 0.00 -0.11 2.20 4.02 -1.23 -0.02 117.16 117.95 1ip1 n TYR 63 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1ip1 n TYR 63 Cb 0.46 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.64 1ip1 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ip1 n TRP 64 N -2.05 0.07 -4.15 -0.72 7.02 -0.88 -0.99 117.44 115.75 1ip1 n TRP 64 Ca 0.00 0.02 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 1ip1 n TRP 64 Cb 0.50 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.28 1ip1 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ip1 s ASN 66 N -3.03 5.38 0.00 0.00 2.47 -0.38 -4.58 114.94 114.79 1ip1 s ASN 66 Ca 0.17 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.39 1ip1 s ASN 66 Cb 0.07 -1.95 0.03 0.00 -1.45 0.00 0.00 41.25 37.95 1ip1 s ASN 66 CO -0.03 0.06 0.72 -0.90 -3.72 0.00 0.00 177.10 173.23 1ip1 n ASP 67 N 4.32 1.49 0.00 -4.21 5.68 -1.26 -1.04 116.55 121.52 1ip1 n ASP 67 Ca -0.16 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1ip1 n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1ip1 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ip1 n GLY 68 N -0.05 0.84 0.12 6.12 0.00 -1.26 -4.77 105.19 106.18 1ip1 n GLY 68 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1ip1 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ip1 n LYS 69 N -2.00 2.96 -3.62 1.61 2.85 -1.26 -4.97 118.16 113.73 1ip1 n LYS 69 Ca 0.00 -1.62 -0.39 0.00 -1.05 0.00 0.00 58.31 55.26 1ip1 n LYS 69 Cb 0.00 -1.06 -0.11 0.00 -0.65 0.00 0.00 35.03 33.21 1ip1 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ip1 s THR 70 N -1.03 4.90 0.00 0.58 2.01 -1.26 -4.95 115.64 115.89 1ip1 s THR 70 Ca 0.05 -0.19 -0.33 0.00 0.31 0.00 0.00 61.69 61.53 1ip1 s THR 70 Cb 0.03 -3.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 1ip1 s THR 70 CO 0.03 0.13 1.87 -2.65 -0.69 0.00 0.00 174.62 173.31 1ip1 n PRO 71 N 5.02 2.43 -1.70 4.92 -0.02 -1.26 -2.49 135.00 141.91 1ip1 n PRO 71 Ca -0.14 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1ip1 n PRO 71 Cb 0.50 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 1ip1 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ip1 n GLY 72 N 4.31 1.36 3.83 -1.23 0.00 -1.26 -4.98 105.19 107.21 1ip1 n GLY 72 Ca 0.21 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1ip1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip1 s ALA 73 N -2.73 2.87 0.43 4.61 0.00 -1.04 -5.04 121.76 120.87 1ip1 s ALA 73 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1ip1 s ALA 73 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1ip1 s ALA 73 CO 0.00 -0.78 0.14 1.33 0.00 0.00 0.00 175.76 176.45 1ip1 n VAL 74 N -2.43 0.00 -3.15 0.00 0.24 0.98 -5.00 118.33 108.97 1ip1 n VAL 74 Ca 0.07 -1.87 -0.22 0.00 -2.04 0.00 0.00 64.34 60.29 1ip1 n VAL 74 Cb 0.54 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 1ip1 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ip1 n ASN 75 N -1.52 -0.56 0.25 -1.34 5.15 -1.22 -4.04 115.26 111.98 1ip1 n ASN 75 Ca -0.10 -2.72 0.09 0.00 -0.60 0.00 0.00 54.58 51.25 1ip1 n ASN 75 Cb 0.52 -0.17 0.63 0.00 -0.53 0.00 0.00 39.78 40.23 1ip1 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ip1 h ALA 76 N 4.40 1.50 -0.00 5.20 0.00 -1.08 -0.96 119.26 128.32 1ip1 h ALA 76 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ip1 h ALA 76 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ip1 h ALA 76 CO 0.40 0.18 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 1ip1 n HIS 78 N -1.06 -1.82 -3.92 0.00 -0.00 -0.37 -4.95 115.22 103.11 1ip1 n HIS 78 Ca 0.09 0.44 -0.10 0.00 -0.00 0.00 0.00 57.72 58.15 1ip1 n HIS 78 Cb 0.34 -3.40 -0.10 0.00 -0.00 0.00 0.00 29.99 26.82 1ip1 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ip1 s LEU 79 N -6.65 1.85 0.36 2.41 1.43 -1.26 -5.07 118.68 111.75 1ip1 s LEU 79 Ca 0.42 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 1ip1 s LEU 79 Cb -0.16 0.42 -0.09 0.00 0.03 0.00 0.00 46.19 46.39 1ip1 s LEU 79 CO 0.88 -0.34 1.11 -0.55 0.23 0.00 0.00 176.35 177.68 1ip1 s SER 80 N -1.41 6.83 0.61 2.29 0.15 -1.26 -1.25 113.70 119.66 1ip1 s SER 80 Ca -0.15 2.23 0.40 0.00 0.70 0.00 0.00 55.95 59.14 1ip1 s SER 80 Cb -0.09 -2.61 2.11 0.00 -1.71 0.00 0.00 66.02 63.73 1ip1 s SER 80 CO 0.00 -0.45 2.23 0.00 1.20 0.00 0.00 173.24 176.23 1ip1 h SER 82 N 0.00 0.15 0.39 0.00 0.87 -1.90 -0.95 113.55 112.11 1ip1 h SER 82 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ip1 h SER 82 Cb 0.09 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1ip1 h SER 82 CO 0.00 0.13 -0.06 0.00 -0.53 0.00 0.00 176.83 176.37 1ip1 h ALA 83 N 1.89 1.16 -0.31 6.23 0.00 -1.41 -0.99 119.26 125.83 1ip1 h ALA 83 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ip1 h ALA 83 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ip1 h ALA 83 CO -0.01 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1ip1 n LEU 84 N -3.39 1.80 -0.11 0.00 4.77 -0.36 -3.63 117.00 116.08 1ip1 n LEU 84 Ca -0.02 -0.88 0.03 0.00 -0.03 0.00 0.00 56.01 55.12 1ip1 n LEU 84 Cb 0.20 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1ip1 n LEU 84 CO 0.27 0.44 0.54 0.18 -1.33 0.00 0.00 177.39 177.48 1ip1 n LEU 85 N 0.47 2.24 -4.87 2.23 4.77 -0.38 -3.20 117.00 118.26 1ip1 n LEU 85 Ca 0.12 -2.29 -0.31 0.00 -0.03 0.00 0.00 56.01 53.51 1ip1 n LEU 85 Cb 0.29 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ip1 n LEU 85 CO 0.09 0.58 0.56 -1.10 -1.33 0.00 0.00 177.39 176.18 1ip1 s GLN 86 N -1.50 3.79 0.24 3.23 -0.21 -1.24 -4.67 119.66 119.30 1ip1 s GLN 86 Ca 0.11 0.64 0.02 0.00 0.02 0.00 0.00 55.36 56.15 1ip1 s GLN 86 Cb 0.09 -2.26 0.27 0.00 1.00 0.00 0.00 33.01 32.11 1ip1 s GLN 86 CO 0.03 -0.21 1.60 -0.44 -2.12 0.00 0.00 175.29 174.15 1ip1 h ASP 87 N 0.81 0.43 -3.13 5.90 5.19 -1.93 -3.41 116.42 120.28 1ip1 h ASP 87 Ca -0.47 -0.21 -0.57 0.00 -0.62 0.00 0.00 57.03 55.16 1ip1 h ASP 87 Cb 1.19 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.52 1ip1 h ASP 87 CO 0.63 0.84 0.73 0.21 -3.12 0.00 0.00 179.24 178.53 1ip1 s ASN 88 N -6.88 7.13 -0.00 6.45 3.84 -1.26 -4.90 114.94 119.32 1ip1 s ASN 88 Ca -0.06 1.41 0.12 0.00 0.21 0.00 0.00 52.86 54.55 1ip1 s ASN 88 Cb 0.12 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.63 1ip1 s ASN 88 CO 0.81 -0.61 1.29 2.30 -2.79 0.00 0.00 177.10 178.10 1ip1 n ILE 89 N 5.12 0.53 -0.03 -5.21 -5.35 -1.26 -4.48 119.36 108.67 1ip1 n ILE 89 Ca 0.11 -0.53 -0.08 0.00 -0.27 0.00 0.00 62.75 61.97 1ip1 n ILE 89 Cb 0.47 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1ip1 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ip1 h ALA 90 N 3.73 -0.07 -0.79 -1.28 0.00 -1.94 0.13 119.26 119.04 1ip1 h ALA 90 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ip1 h ALA 90 Cb 0.53 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ip1 h ALA 90 CO 0.00 -0.62 0.32 -0.44 0.00 0.00 0.00 179.25 178.51 1ip1 h ASP 91 N -0.20 1.10 -0.83 0.00 3.45 -1.86 -0.46 116.42 117.62 1ip1 h ASP 91 Ca 0.12 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1ip1 h ASP 91 Cb 0.39 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.84 1ip1 h ASP 91 CO -0.33 0.97 0.36 0.00 -1.57 0.00 0.00 179.24 178.68 1ip1 h ALA 92 N 1.18 1.07 -0.44 3.45 0.00 -1.59 -1.24 119.26 121.69 1ip1 h ALA 92 Ca 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ip1 h ALA 92 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ip1 h ALA 92 CO -0.02 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.19 1ip1 h VAL 93 N 1.19 1.26 -0.89 0.00 2.07 -0.31 0.11 116.25 119.68 1ip1 h VAL 93 Ca 0.28 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ip1 h VAL 93 Cb 0.17 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1ip1 h VAL 93 CO -0.03 0.35 0.58 0.00 0.02 0.00 0.00 177.57 178.49 1ip1 h ALA 94 N 0.91 1.35 -0.25 1.67 0.00 -0.71 0.96 119.26 123.19 1ip1 h ALA 94 Ca 0.13 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1ip1 h ALA 94 Cb 0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ip1 h ALA 94 CO 0.02 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.47 1ip1 h ALA 96 N 0.66 1.50 -0.53 0.00 0.00 -0.20 -0.13 119.26 120.56 1ip1 h ALA 96 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ip1 h ALA 96 Cb 0.99 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1ip1 h ALA 96 CO 0.09 0.46 0.12 0.87 0.00 0.00 0.00 179.25 180.79 1ip1 h LYS 97 N 0.92 0.85 -0.65 0.00 1.57 -0.66 -2.34 116.57 116.26 1ip1 h LYS 97 Ca 0.25 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1ip1 h LYS 97 Cb -0.09 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1ip1 h LYS 97 CO -0.05 0.82 0.42 -0.09 -0.57 0.00 0.00 179.45 179.97 1ip1 h ARG 98 N 0.75 0.81 -0.10 3.15 9.65 -0.27 -2.25 114.38 126.11 1ip1 h ARG 98 Ca 0.17 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1ip1 h ARG 98 Cb 0.35 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1ip1 h ARG 98 CO 0.00 0.54 0.00 0.28 2.80 0.00 0.00 179.97 183.59 1ip1 h VAL 99 N 0.84 0.93 0.00 0.20 2.07 -0.83 -2.78 116.25 116.68 1ip1 h VAL 99 Ca 0.25 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1ip1 h VAL 99 Cb -0.03 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ip1 h VAL 99 CO -0.08 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.85 1ip1 n VAL 100 N -5.11 0.80 0.41 2.57 0.24 -0.90 -2.27 118.33 114.07 1ip1 n VAL 100 Ca -0.05 0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 1ip1 n VAL 100 Cb 0.07 -1.08 0.49 0.00 -1.47 0.00 0.00 33.84 31.85 1ip1 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip1 h ARG 101 N 0.00 0.00 -7.56 7.34 3.08 -1.12 -3.34 114.38 112.78 1ip1 h ARG 101 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1ip1 h ARG 101 Cb 0.41 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.58 1ip1 h ARG 101 CO 0.00 0.00 0.35 -0.51 -1.07 0.00 0.00 179.97 178.74 1ip1 s ASP 102 N -4.37 3.94 0.20 7.04 -0.00 -0.96 -4.94 116.67 117.57 1ip1 s ASP 102 Ca 0.05 0.85 -0.21 0.00 -0.00 0.00 0.00 52.55 53.23 1ip1 s ASP 102 Cb 0.10 -1.36 0.14 0.00 -0.00 0.00 0.00 42.92 41.80 1ip1 s ASP 102 CO 0.42 -2.27 1.56 -0.65 -0.00 0.00 0.00 175.17 174.24 1ip1 h PRO 103 N -1.31 -0.09 0.00 8.23 0.11 -1.87 -2.09 132.00 134.99 1ip1 h PRO 103 Ca -0.48 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ip1 h PRO 103 Cb 1.33 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1ip1 h PRO 103 CO 0.63 -0.06 -0.05 1.96 -0.21 0.00 0.00 178.00 180.26 1ip1 h GLN 104 N -0.09 0.00 0.00 1.05 4.20 -1.90 -3.48 115.11 114.88 1ip1 h GLN 104 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ip1 h GLN 104 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ip1 h GLN 104 CO -0.83 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 177.79 1ip1 n GLY 105 N -0.57 2.12 0.34 3.46 0.00 -0.79 -2.13 105.19 107.62 1ip1 n GLY 105 Ca -0.01 -0.52 0.18 0.00 0.00 0.00 0.00 46.02 45.67 1ip1 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip1 h ILE 106 N 0.00 0.24 0.00 -0.61 6.09 -1.91 -1.75 117.51 119.56 1ip1 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ip1 h ILE 106 Cb 0.00 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.13 1ip1 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ip1 n ARG 107 N -3.40 0.10 0.02 2.19 1.74 -0.91 -2.83 116.66 113.57 1ip1 n ARG 107 Ca -0.00 0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.42 1ip1 n ARG 107 Cb 0.28 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.77 1ip1 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip1 h ALA 108 N 2.42 2.04 -2.32 7.54 0.00 -1.49 -3.38 119.26 124.08 1ip1 h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1ip1 h ALA 108 Cb 0.11 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 1ip1 h ALA 108 CO 0.00 -0.13 0.09 -1.58 0.00 0.00 0.00 179.25 177.62 1ip1 s TRP 109 N -5.28 3.14 0.42 0.00 0.51 -1.13 -4.94 118.94 111.67 1ip1 s TRP 109 Ca -0.07 0.20 0.10 0.00 -2.12 0.00 0.00 56.10 54.22 1ip1 s TRP 109 Cb 0.19 -3.13 0.94 0.00 -0.81 0.00 0.00 33.47 30.66 1ip1 s TRP 109 CO 0.73 -0.66 2.01 0.28 -0.51 0.00 0.00 176.95 178.79 1ip1 h VAL 110 N 5.71 0.99 -0.84 4.03 2.07 -1.90 -0.93 116.25 125.38 1ip1 h VAL 110 Ca -0.26 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1ip1 h VAL 110 Cb 1.11 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1ip1 h VAL 110 CO 0.83 0.09 0.55 0.00 0.02 0.00 0.00 177.57 179.06 1ip1 h ALA 111 N 1.71 1.45 -0.64 1.67 0.00 -1.94 0.17 119.26 121.69 1ip1 h ALA 111 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ip1 h ALA 111 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ip1 h ALA 111 CO -0.06 0.48 0.19 2.35 0.00 0.00 0.00 179.25 182.21 1ip1 h TRP 112 N 1.08 1.04 -0.31 0.00 7.01 -1.49 0.71 115.95 123.98 1ip1 h TRP 112 Ca 0.32 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1ip1 h TRP 112 Cb -0.03 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 1ip1 h TRP 112 CO -0.00 0.85 0.11 0.00 -2.79 0.00 0.00 178.44 176.61 1ip1 h ARG 113 N 0.93 0.48 -0.45 2.65 3.08 -1.12 0.19 114.38 120.13 1ip1 h ARG 113 Ca 0.21 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1ip1 h ARG 113 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1ip1 h ARG 113 CO -0.01 0.51 0.14 -0.91 -1.07 0.00 0.00 179.97 178.64 1ip1 h ASN 114 N 0.35 0.66 0.00 7.04 2.35 -0.71 -3.33 115.58 121.94 1ip1 h ASN 114 Ca 0.10 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1ip1 h ASN 114 Cb 0.23 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ip1 h ASN 114 CO -0.00 0.70 -0.03 -2.11 -1.65 0.00 0.00 177.43 174.33 1ip1 n ARG 115 N -4.54 1.90 0.00 0.81 0.00 0.22 -4.85 116.66 110.19 1ip1 n ARG 115 Ca 0.01 -1.43 0.00 0.00 -0.00 0.00 0.00 57.85 56.42 1ip1 n ARG 115 Cb 0.19 -0.94 0.00 0.00 -0.00 0.00 0.00 32.46 31.71 1ip1 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ip1 s GLN 117 N -1.51 4.19 -1.46 0.00 0.74 0.08 -2.54 119.66 119.17 1ip1 s GLN 117 Ca 0.00 2.44 -0.10 0.00 0.05 0.00 0.00 55.36 57.76 1ip1 s GLN 117 Cb 0.00 -3.09 0.05 0.00 1.10 0.00 0.00 33.01 31.07 1ip1 s GLN 117 CO 0.00 -0.57 0.78 0.09 -0.55 0.00 0.00 175.29 175.03 1ip1 n ASN 118 N 2.85 -5.12 -4.48 6.67 5.03 -1.26 -4.97 115.26 113.98 1ip1 n ASN 118 Ca 0.10 -0.51 -0.23 0.00 0.87 0.00 0.00 54.58 54.81 1ip1 n ASN 118 Cb 0.38 -4.12 -0.10 0.00 -1.02 0.00 0.00 39.78 34.92 1ip1 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ip1 s ARG 119 N -6.17 1.67 -0.56 3.52 1.81 -1.05 -5.09 118.95 113.07 1ip1 s ARG 119 Ca 0.49 -1.84 -0.22 0.00 -1.72 0.00 0.00 55.73 52.43 1ip1 s ARG 119 Cb -0.24 -1.43 0.06 0.00 -0.45 0.00 0.00 34.95 32.89 1ip1 s ARG 119 CO 0.60 0.10 0.83 0.34 -0.68 0.00 0.00 175.30 176.49 1ip1 s ASP 120 N -3.51 6.26 -0.11 0.23 -1.08 -1.26 -4.89 116.67 112.30 1ip1 s ASP 120 Ca 0.31 -0.74 0.16 0.00 -0.52 0.00 0.00 52.55 51.76 1ip1 s ASP 120 Cb 0.02 -2.38 0.60 0.00 -1.46 0.00 0.00 42.92 39.71 1ip1 s ASP 120 CO 0.14 -1.15 1.52 1.33 0.52 0.00 0.00 175.17 177.52 1ip1 n VAL 121 N 5.91 1.84 -0.27 1.11 0.24 -1.26 -4.62 118.33 121.28 1ip1 n VAL 121 Ca -0.03 -1.34 0.07 0.00 -2.04 0.00 0.00 64.34 61.01 1ip1 n VAL 121 Cb 0.46 0.08 0.22 0.00 -1.47 0.00 0.00 33.84 33.13 1ip1 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip1 h ARG 122 N 3.14 0.43 -0.21 7.34 3.08 -1.95 -1.95 114.38 124.27 1ip1 h ARG 122 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1ip1 h ARG 122 Cb 1.35 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1ip1 h ARG 122 CO 0.20 0.29 0.34 -0.56 -1.07 0.00 0.00 179.97 179.16 1ip1 h GLN 123 N 0.45 0.00 0.00 0.04 3.07 -1.97 -2.42 115.11 114.27 1ip1 h GLN 123 Ca 0.45 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 59.10 1ip1 h GLN 123 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 1ip1 h GLN 123 CO -0.43 0.00 -0.44 1.88 0.09 0.00 0.00 178.83 179.93 1ip1 h TYR 124 N 0.00 0.00 -0.04 0.06 0.05 -1.70 -3.23 116.97 112.12 1ip1 h TYR 124 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1ip1 h TYR 124 Cb 0.77 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1ip1 h TYR 124 CO 0.00 0.44 0.00 1.33 -1.05 0.00 0.00 178.16 178.88 1ip1 n VAL 125 N -3.99 0.14 -1.74 -2.88 0.24 -0.93 -4.79 118.33 104.38 1ip1 n VAL 125 Ca -0.02 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1ip1 n VAL 125 Cb 0.46 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1ip1 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ip1 s GLN 126 N -0.62 4.12 0.00 7.34 -1.52 -1.08 -2.30 119.66 125.61 1ip1 s GLN 126 Ca 0.09 2.60 0.00 0.00 -1.95 0.00 0.00 55.36 56.10 1ip1 s GLN 126 Cb 0.06 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 1ip1 s GLN 126 CO 0.08 -0.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.81 1ip1 n GLY 127 N 3.63 0.28 0.04 3.09 0.00 -1.26 -4.88 105.19 106.08 1ip1 n GLY 127 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1ip1 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip1 n GLY 129 N 1.47 0.45 0.63 0.00 0.00 -1.26 -4.79 105.19 101.68 1ip1 n GLY 129 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1ip1 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65