#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip3 s VAL 2 N 0.00 3.02 0.49 0.58 1.01 -1.26 -1.16 120.40 123.08 1ip3 s VAL 2 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1ip3 s VAL 2 Cb 0.00 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 1ip3 s VAL 2 CO 0.00 0.17 1.12 -0.36 0.00 0.00 0.00 175.10 176.04 1ip3 s PHE 3 N 1.35 2.85 0.37 5.22 0.08 -0.37 -5.00 117.98 122.47 1ip3 s PHE 3 Ca 0.00 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.45 1ip3 s PHE 3 Cb -0.17 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 38.92 1ip3 s PHE 3 CO -0.03 -1.35 0.80 -2.00 -0.10 0.00 0.00 175.22 172.54 1ip3 s GLU 4 N -2.98 4.00 0.07 0.44 -6.30 -1.26 -4.86 118.70 107.80 1ip3 s GLU 4 Ca 0.67 0.74 -0.16 0.00 -2.50 0.00 0.00 54.97 53.73 1ip3 s GLU 4 Cb -0.24 -2.35 -0.05 0.00 0.00 0.00 0.00 34.13 31.49 1ip3 s GLU 4 CO 0.29 0.05 1.26 -0.09 0.02 0.00 0.00 175.26 176.79 1ip3 h ARG 5 N 1.90 -0.15 -0.18 4.30 2.43 -1.96 -1.22 114.38 119.51 1ip3 h ARG 5 Ca -0.48 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1ip3 h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1ip3 h ARG 5 CO 0.64 -0.10 -0.06 0.00 -1.51 0.00 0.00 179.97 178.94 1ip3 h GLU 7 N 0.26 0.59 -0.26 0.00 4.81 -1.83 -0.90 114.58 117.25 1ip3 h GLU 7 Ca 0.06 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1ip3 h GLU 7 Cb 0.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1ip3 h GLU 7 CO 0.01 0.39 -0.07 1.25 -0.73 0.00 0.00 179.01 179.87 1ip3 h LEU 8 N 0.61 0.51 -0.56 1.64 5.85 -0.73 -1.89 115.31 120.74 1ip3 h LEU 8 Ca 0.17 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1ip3 h LEU 8 Cb -0.05 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1ip3 h LEU 8 CO -0.05 0.76 0.21 0.00 -0.34 0.00 0.00 178.44 179.02 1ip3 h ALA 9 N 0.77 0.70 -0.62 1.25 0.00 -1.04 0.10 119.26 120.43 1ip3 h ALA 9 Ca 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ip3 h ALA 9 Cb 0.54 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ip3 h ALA 9 CO 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.11 1ip3 h ARG 10 N 0.39 1.07 -0.12 0.00 3.08 -1.10 -1.33 114.38 116.36 1ip3 h ARG 10 Ca 0.27 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ip3 h ARG 10 Cb 0.31 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1ip3 h ARG 10 CO -0.27 1.02 0.05 1.15 -1.07 0.00 0.00 179.97 180.85 1ip3 h THR 11 N 0.97 1.13 -0.63 2.04 2.02 -0.59 -0.50 112.91 117.36 1ip3 h THR 11 Ca 0.18 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1ip3 h THR 11 Cb 0.52 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1ip3 h THR 11 CO 0.02 0.12 0.25 -0.07 0.37 0.00 0.00 175.52 176.22 1ip3 h LEU 12 N 0.05 0.84 -0.39 2.58 3.38 -0.73 -1.08 115.31 119.96 1ip3 h LEU 12 Ca 0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ip3 h LEU 12 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ip3 h LEU 12 CO -0.00 0.75 0.10 0.50 0.09 0.00 0.00 178.44 179.88 1ip3 h LYS 13 N 0.90 0.62 -0.35 1.13 3.64 -1.02 -1.10 116.57 120.39 1ip3 h LYS 13 Ca 0.21 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ip3 h LYS 13 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1ip3 h LYS 13 CO -0.02 0.65 0.13 -0.09 -2.27 0.00 0.00 179.45 177.85 1ip3 h ARG 14 N 0.48 0.50 -0.68 1.90 2.43 -0.67 -1.86 114.38 116.49 1ip3 h ARG 14 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ip3 h ARG 14 Cb 0.30 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1ip3 h ARG 14 CO 0.00 0.43 0.00 1.28 -1.51 0.00 0.00 179.97 180.17 1ip3 n LEU 15 N -4.39 1.93 -1.01 3.80 4.77 -0.45 -4.90 117.00 116.75 1ip3 n LEU 15 Ca 0.02 -0.97 -0.09 0.00 -0.03 0.00 0.00 56.01 54.94 1ip3 n LEU 15 Cb 0.15 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1ip3 n LEU 15 CO 0.37 0.33 -0.11 0.61 -1.33 0.00 0.00 177.39 177.25 1ip3 n GLY 16 N 0.37 0.11 0.12 -0.72 0.00 -0.70 -4.96 105.19 99.41 1ip3 n GLY 16 Ca 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1ip3 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ip3 h MET 17 N 0.00 0.00 -6.02 1.61 2.86 -1.38 -3.40 114.93 108.60 1ip3 h MET 17 Ca -0.22 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.90 1ip3 h MET 17 Cb 1.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1ip3 h MET 17 CO 0.26 0.26 1.38 0.34 1.06 0.00 0.00 176.91 180.21 1ip3 s ASP 18 N -5.90 5.35 0.00 1.22 2.15 -1.26 -1.68 116.67 116.56 1ip3 s ASP 18 Ca 0.00 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1ip3 s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ip3 s ASP 18 CO 0.78 -2.21 0.00 0.61 -0.17 0.00 0.00 175.17 174.18 1ip3 n GLY 19 N 5.66 0.75 3.67 2.66 0.00 0.14 -4.86 105.19 113.21 1ip3 n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ip3 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ip3 s TYR 20 N -2.37 1.61 -1.41 1.61 5.04 -0.67 -0.56 117.35 120.60 1ip3 s TYR 20 Ca 0.00 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1ip3 s TYR 20 Cb 0.00 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1ip3 s TYR 20 CO 0.00 -5.19 0.00 0.54 -1.34 0.00 0.00 175.55 169.56 1ip3 n ARG 21 N 6.92 -1.96 -0.97 4.97 5.12 -1.26 -0.88 116.66 128.59 1ip3 n ARG 21 Ca 0.19 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 1ip3 n ARG 21 Cb 0.40 -5.43 0.00 0.00 -1.16 0.00 0.00 32.46 26.27 1ip3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ip3 n GLY 22 N -0.90 0.81 3.60 -0.13 0.00 0.27 -5.01 105.19 103.82 1ip3 n GLY 22 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1ip3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ip3 s ILE 23 N -3.20 4.87 0.74 -0.61 1.01 -0.06 -4.86 121.20 119.09 1ip3 s ILE 23 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 60.65 61.46 1ip3 s ILE 23 Cb 0.00 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.44 1ip3 s ILE 23 CO 0.00 -0.22 1.10 -0.94 0.00 0.00 0.00 174.94 174.87 1ip3 s SER 24 N 1.67 4.65 0.30 3.58 1.04 -1.26 0.28 113.70 123.96 1ip3 s SER 24 Ca 0.28 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 1ip3 s SER 24 Cb -0.14 -2.53 0.48 0.00 0.10 0.00 0.00 66.02 63.93 1ip3 s SER 24 CO 0.13 -1.94 1.96 0.25 0.98 0.00 0.00 173.24 174.62 1ip3 h LEU 25 N -0.85 0.92 -1.24 2.42 5.85 -1.89 -1.64 115.31 118.88 1ip3 h LEU 25 Ca -0.44 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1ip3 h LEU 25 Cb 1.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1ip3 h LEU 25 CO 0.52 0.65 0.20 0.00 -0.34 0.00 0.00 178.44 179.47 1ip3 h ALA 26 N 1.50 1.40 -0.29 1.25 0.00 -1.91 -1.03 119.26 120.18 1ip3 h ALA 26 Ca 0.32 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1ip3 h ALA 26 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ip3 h ALA 26 CO -0.08 0.46 -0.43 -0.91 0.00 0.00 0.00 179.25 178.28 1ip3 h ASN 27 N 0.73 0.77 -0.66 0.00 2.35 -1.63 -0.58 115.58 116.55 1ip3 h ASN 27 Ca 0.18 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1ip3 h ASN 27 Cb 0.15 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1ip3 h ASN 27 CO -0.02 1.09 0.22 -0.50 -1.65 0.00 0.00 177.43 176.57 1ip3 h TRP 28 N 0.58 1.06 -0.28 1.19 4.06 -0.99 -0.92 115.95 120.66 1ip3 h TRP 28 Ca 0.04 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 1ip3 h TRP 28 Cb 0.98 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1ip3 h TRP 28 CO 0.05 0.85 0.16 0.52 -3.56 0.00 0.00 178.44 176.46 1ip3 h MET 29 N 0.96 0.38 -0.94 0.49 2.86 -0.99 -0.68 114.93 117.02 1ip3 h MET 29 Ca 0.22 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1ip3 h MET 29 Cb 0.29 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1ip3 h MET 29 CO -0.01 0.32 0.58 0.00 1.06 0.00 0.00 176.91 178.86 1ip3 h LEU 31 N 1.29 -0.28 -0.93 0.00 5.85 -0.75 -2.26 115.31 118.22 1ip3 h LEU 31 Ca 0.34 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1ip3 h LEU 31 Cb -0.08 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1ip3 h LEU 31 CO -0.07 -0.15 0.62 0.00 -0.34 0.00 0.00 178.44 178.50 1ip3 h ALA 32 N 0.37 1.18 0.19 1.25 0.00 -0.75 -0.39 119.26 121.11 1ip3 h ALA 32 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ip3 h ALA 32 Cb 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ip3 h ALA 32 CO 0.05 0.57 -0.09 -0.22 0.00 0.00 0.00 179.25 179.56 1ip3 h LYS 33 N 1.25 -0.25 0.00 0.00 3.11 -0.97 -1.19 116.57 118.52 1ip3 h LYS 33 Ca 0.34 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.11 1ip3 h LYS 33 Cb -0.14 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 1ip3 h LYS 33 CO -0.08 -0.16 -0.43 -1.49 -2.81 0.00 0.00 179.45 174.48 1ip3 h TRP 34 N -0.27 0.00 0.10 1.91 4.06 -1.25 -0.28 115.95 120.22 1ip3 h TRP 34 Ca -0.03 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.78 1ip3 h TRP 34 Cb 0.20 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1ip3 h TRP 34 CO -0.06 0.43 -0.60 0.93 -3.56 0.00 0.00 178.44 175.57 1ip3 h GLU 35 N 0.00 0.24 0.00 0.49 4.39 -1.01 -3.43 114.58 115.26 1ip3 h GLU 35 Ca -0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1ip3 h GLU 35 Cb 1.07 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1ip3 h GLU 35 CO 0.06 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1ip3 n SER 36 N -4.25 0.14 -1.69 1.42 3.41 -0.49 -4.85 113.62 107.31 1ip3 n SER 36 Ca -0.13 -1.02 -0.15 0.00 -0.26 0.00 0.00 58.87 57.31 1ip3 n SER 36 Cb 0.73 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 1ip3 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip3 n GLY 37 N -0.01 -0.07 2.29 5.00 0.00 -0.12 -2.14 105.19 110.14 1ip3 n GLY 37 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1ip3 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ip3 n TYR 38 N -3.86 -0.55 -3.58 1.61 0.53 -1.16 -4.76 117.16 105.40 1ip3 n TYR 38 Ca -0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.30 1ip3 n TYR 38 Cb 0.62 -2.89 -0.11 0.00 -1.03 0.00 0.00 39.34 35.93 1ip3 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ip3 s ASN 39 N -2.46 5.84 0.46 7.72 3.84 -0.91 -1.24 114.94 128.19 1ip3 s ASN 39 Ca 0.00 -0.57 0.31 0.00 0.21 0.00 0.00 52.86 52.81 1ip3 s ASN 39 Cb 0.00 -2.08 1.32 0.00 -0.55 0.00 0.00 41.25 39.95 1ip3 s ASN 39 CO 0.00 -0.26 1.91 0.71 -2.79 0.00 0.00 177.10 176.68 1ip3 h THR 40 N 5.61 0.00 -0.01 -5.21 1.35 -1.47 -2.95 112.91 110.23 1ip3 h THR 40 Ca -0.31 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1ip3 h THR 40 Cb 1.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1ip3 h THR 40 CO 0.64 0.00 -0.43 0.54 -0.25 0.00 0.00 175.52 176.02 1ip3 n ARG 41 N -2.77 0.96 -1.73 4.72 5.12 -1.26 -4.18 116.66 117.52 1ip3 n ARG 41 Ca 0.01 -0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 54.78 1ip3 n ARG 41 Cb 0.25 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.05 1ip3 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ip3 n ALA 42 N -0.39 2.36 -2.97 7.54 0.00 -1.12 -4.79 120.51 121.15 1ip3 n ALA 42 Ca 0.10 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1ip3 n ALA 42 Cb 0.41 -2.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.28 1ip3 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ip3 s THR 43 N 0.06 0.03 -0.22 0.00 -4.23 -1.26 -0.73 115.64 109.29 1ip3 s THR 43 Ca 0.65 0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1ip3 s THR 43 Cb -0.52 -0.05 0.06 0.00 1.34 0.00 0.00 72.50 73.33 1ip3 s THR 43 CO 0.48 0.02 -0.03 0.21 -0.54 0.00 0.00 174.62 174.76 1ip3 s ASN 44 N 0.13 3.51 -0.05 3.99 2.47 -0.34 -4.95 114.94 119.70 1ip3 s ASN 44 Ca -0.01 -1.03 -0.24 0.00 0.42 0.00 0.00 52.86 52.00 1ip3 s ASN 44 Cb -0.02 -1.01 -0.04 0.00 -1.45 0.00 0.00 41.25 38.74 1ip3 s ASN 44 CO -0.00 -0.25 0.73 -0.47 -3.72 0.00 0.00 177.10 173.39 1ip3 s TYR 45 N 1.53 3.60 -0.41 0.43 6.04 -1.26 -0.23 117.35 127.05 1ip3 s TYR 45 Ca -0.04 1.31 -0.07 0.00 0.04 0.00 0.00 57.07 58.31 1ip3 s TYR 45 Cb -0.18 -2.83 0.09 0.00 -1.04 0.00 0.00 41.96 38.00 1ip3 s TYR 45 CO -0.07 0.10 0.23 -0.80 -1.54 0.00 0.00 175.55 173.47 1ip3 s ASN 46 N 0.74 5.47 0.61 4.32 0.01 0.47 -4.96 114.94 121.59 1ip3 s ASN 46 Ca 0.39 -1.66 0.34 0.00 -0.71 0.00 0.00 52.86 51.21 1ip3 s ASN 46 Cb -0.18 -1.92 1.95 0.00 0.41 0.00 0.00 41.25 41.51 1ip3 s ASN 46 CO 0.19 -0.53 2.27 0.00 -1.51 0.00 0.00 177.10 177.53 1ip3 h ALA 47 N 8.27 1.35 0.36 0.60 0.00 -1.94 0.20 119.26 128.11 1ip3 h ALA 47 Ca -0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ip3 h ALA 47 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ip3 h ALA 47 CO 0.73 0.01 -0.17 0.78 0.00 0.00 0.00 179.25 180.60 1ip3 h GLY 48 N 0.11 -0.50 -0.96 0.00 0.00 -1.94 -3.31 103.07 96.47 1ip3 h GLY 48 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1ip3 h GLY 48 CO 0.00 -0.18 0.00 2.09 0.00 0.00 0.00 176.54 178.45 1ip3 n ASP 49 N -3.56 2.00 -1.19 0.19 5.75 -1.21 -4.94 116.55 113.60 1ip3 n ASP 49 Ca -0.06 -1.67 -0.15 0.00 -0.01 0.00 0.00 54.79 52.90 1ip3 n ASP 49 Cb 0.19 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1ip3 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ip3 n ARG 50 N 0.56 -1.05 -3.29 0.11 1.74 0.69 -4.44 116.66 110.98 1ip3 n ARG 50 Ca 0.17 1.00 -0.21 0.00 -0.77 0.00 0.00 57.85 58.05 1ip3 n ARG 50 Cb 0.43 -5.15 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1ip3 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ip3 s SER 51 N -2.80 5.95 0.00 0.55 1.04 -1.17 -4.52 113.70 112.75 1ip3 s SER 51 Ca 0.00 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1ip3 s SER 51 Cb 0.00 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 1ip3 s SER 51 CO 0.00 -0.52 -0.09 -0.89 0.98 0.00 0.00 173.24 172.73 1ip3 s THR 52 N -2.34 0.67 -0.15 2.02 2.01 -1.26 -0.40 115.64 116.20 1ip3 s THR 52 Ca 0.45 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 1ip3 s THR 52 Cb -0.10 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1ip3 s THR 52 CO 0.34 0.12 0.32 -1.81 -0.69 0.00 0.00 174.62 172.90 1ip3 s ASP 53 N -0.40 6.49 -0.05 3.53 1.01 0.68 -1.17 116.67 126.76 1ip3 s ASP 53 Ca 0.02 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.89 1ip3 s ASP 53 Cb -0.04 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1ip3 s ASP 53 CO -0.00 0.10 -0.17 -0.31 0.21 0.00 0.00 175.17 175.00 1ip3 s TYR 54 N 0.39 2.63 0.00 4.23 2.02 0.28 -1.19 117.35 125.71 1ip3 s TYR 54 Ca 0.18 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1ip3 s TYR 54 Cb -0.13 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1ip3 s TYR 54 CO 0.05 0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 1ip3 n GLY 55 N 2.49 -0.88 0.34 0.71 0.00 0.09 -1.50 105.19 106.44 1ip3 n GLY 55 Ca -0.17 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.84 1ip3 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip3 h ILE 56 N 0.00 0.87 -0.02 -0.61 2.10 -1.71 -1.10 117.51 117.03 1ip3 h ILE 56 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1ip3 h ILE 56 Cb 0.00 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1ip3 h ILE 56 CO 0.00 0.02 -0.12 0.49 -1.08 0.00 0.00 178.15 177.46 1ip3 n PHE 57 N -4.45 0.00 -3.64 2.19 0.99 -1.26 -4.05 117.46 107.23 1ip3 n PHE 57 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.26 1ip3 n PHE 57 Cb 0.38 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.89 1ip3 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ip3 n GLN 58 N 0.71 -2.71 -2.71 -1.08 1.13 -0.42 -4.93 117.38 107.37 1ip3 n GLN 58 Ca 0.10 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1ip3 n GLN 58 Cb 0.45 -4.76 -0.03 0.00 0.11 0.00 0.00 30.24 26.02 1ip3 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ip3 s ILE 59 N -3.56 4.86 0.15 5.09 1.01 -0.56 -4.43 121.20 123.75 1ip3 s ILE 59 Ca 0.28 2.04 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 1ip3 s ILE 59 Cb -0.08 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 1ip3 s ILE 59 CO 0.83 0.14 1.00 0.21 0.00 0.00 0.00 174.94 177.12 1ip3 s ASN 60 N 1.02 7.45 0.01 3.58 3.84 -1.26 -0.55 114.94 129.03 1ip3 s ASN 60 Ca 0.51 1.90 0.17 0.00 0.21 0.00 0.00 52.86 55.65 1ip3 s ASN 60 Cb -0.21 -2.60 0.71 0.00 -0.55 0.00 0.00 41.25 38.61 1ip3 s ASN 60 CO 0.26 -0.08 1.53 -1.54 -2.79 0.00 0.00 177.10 174.49 1ip3 n SER 61 N 2.49 0.02 0.11 -4.21 3.41 -0.32 -1.82 113.62 113.30 1ip3 n SER 61 Ca 0.02 0.50 -0.17 0.00 -0.26 0.00 0.00 58.87 58.96 1ip3 n SER 61 Cb 0.48 -0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1ip3 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ip3 h ARG 62 N 0.00 0.32 0.00 4.33 2.43 -1.84 -3.41 114.38 116.21 1ip3 h ARG 62 Ca 0.00 -0.53 -0.06 0.00 -0.81 0.00 0.00 59.98 58.58 1ip3 h ARG 62 Cb 0.29 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ip3 h ARG 62 CO 0.00 1.25 -1.36 0.66 -1.51 0.00 0.00 179.97 179.00 1ip3 n TYR 63 N -3.58 0.00 -0.06 2.20 4.02 -1.18 -0.23 117.16 118.32 1ip3 n TYR 63 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.71 1ip3 n TYR 63 Cb 1.02 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 40.05 1ip3 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ip3 n TRP 64 N -2.01 0.00 -4.24 -0.72 7.02 -0.75 -1.30 117.44 115.43 1ip3 n TRP 64 Ca -0.06 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.27 1ip3 n TRP 64 Cb 0.47 -0.47 -0.10 0.00 -2.42 0.00 0.00 31.31 28.79 1ip3 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ip3 s ASN 66 N -3.05 6.16 0.00 0.00 2.47 -0.10 -4.43 114.94 115.99 1ip3 s ASN 66 Ca 0.15 0.17 0.10 0.00 0.42 0.00 0.00 52.86 53.70 1ip3 s ASN 66 Cb 0.01 -2.17 0.24 0.00 -1.45 0.00 0.00 41.25 37.88 1ip3 s ASN 66 CO 0.01 -0.11 1.15 -0.90 -3.72 0.00 0.00 177.10 173.53 1ip3 n ASP 67 N 5.13 2.65 -2.00 -4.21 5.75 -1.26 -0.92 116.55 121.68 1ip3 n ASP 67 Ca -0.11 -1.89 -0.20 0.00 -0.01 0.00 0.00 54.79 52.57 1ip3 n ASP 67 Cb 0.51 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.39 1ip3 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ip3 n ALA 68 N 0.43 -0.47 -1.73 2.12 0.00 -1.26 -4.74 120.51 114.86 1ip3 n ALA 68 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ip3 n ALA 68 Cb 0.38 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ip3 n ALA 68 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ip3 n LYS 69 N -2.68 0.00 -3.98 0.00 2.85 -1.26 -5.10 118.16 107.99 1ip3 n LYS 69 Ca -0.22 -0.20 -0.35 0.00 -1.05 0.00 0.00 58.31 56.49 1ip3 n LYS 69 Cb 0.67 -0.17 -0.13 0.00 -0.65 0.00 0.00 35.03 34.76 1ip3 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ip3 s THR 70 N 0.00 4.00 0.56 0.58 2.01 -1.26 -4.90 115.64 116.63 1ip3 s THR 70 Ca 0.00 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 1ip3 s THR 70 Cb 0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1ip3 s THR 70 CO 0.00 0.41 1.28 -2.84 -0.69 0.00 0.00 174.62 172.78 1ip3 s PRO 71 N 1.17 3.10 -1.88 4.92 0.02 -1.26 -3.18 135.00 137.89 1ip3 s PRO 71 Ca 0.03 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1ip3 s PRO 71 Cb -0.14 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1ip3 s PRO 71 CO 0.02 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 1ip3 n GLY 72 N 0.66 0.28 3.73 0.52 0.00 -1.26 -4.88 105.19 104.24 1ip3 n GLY 72 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ip3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip3 s ALA 73 N -2.92 3.40 0.12 4.61 0.00 -1.19 -4.84 121.76 120.94 1ip3 s ALA 73 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 51.96 52.94 1ip3 s ALA 73 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1ip3 s ALA 73 CO 0.00 -0.34 -0.23 0.14 0.00 0.00 0.00 175.76 175.33 1ip3 s VAL 74 N 0.20 2.52 -0.59 0.00 -7.23 0.68 -5.01 120.40 110.98 1ip3 s VAL 74 Ca 0.53 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1ip3 s VAL 74 Cb -0.31 -2.13 0.26 0.00 0.56 0.00 0.00 36.38 34.77 1ip3 s VAL 74 CO 0.34 0.12 0.74 -3.20 -0.31 0.00 0.00 175.10 172.79 1ip3 n ASN 75 N 0.94 3.24 0.01 4.85 5.15 -1.25 -3.51 115.26 124.69 1ip3 n ASN 75 Ca -0.17 -3.35 0.17 0.00 -0.60 0.00 0.00 54.58 50.63 1ip3 n ASN 75 Cb 0.53 -0.65 0.64 0.00 -0.53 0.00 0.00 39.78 39.77 1ip3 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ip3 h ALA 76 N 3.95 2.34 -0.01 5.20 0.00 -1.16 0.19 119.26 129.77 1ip3 h ALA 76 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ip3 h ALA 76 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ip3 h ALA 76 CO 0.77 -0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.48 1ip3 n HIS 78 N -0.51 -1.78 -3.72 0.00 -0.00 0.65 -4.96 115.22 104.90 1ip3 n HIS 78 Ca 0.18 0.41 -0.13 0.00 -0.00 0.00 0.00 57.72 58.18 1ip3 n HIS 78 Cb 0.28 -3.35 -0.10 0.00 -0.00 0.00 0.00 29.99 26.82 1ip3 n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1ip3 s LEU 79 N -6.71 0.29 0.26 2.41 0.20 -1.26 -5.06 118.68 108.81 1ip3 s LEU 79 Ca 0.42 0.88 -0.30 0.00 0.69 0.00 0.00 54.13 55.83 1ip3 s LEU 79 Cb -0.17 1.49 -0.10 0.00 -0.43 0.00 0.00 46.19 46.98 1ip3 s LEU 79 CO 0.89 -0.16 1.40 -0.55 -0.29 0.00 0.00 176.35 177.64 1ip3 s SER 80 N 0.34 6.70 0.63 3.68 0.15 -1.26 -0.92 113.70 123.02 1ip3 s SER 80 Ca -0.01 2.65 0.40 0.00 0.70 0.00 0.00 55.95 59.69 1ip3 s SER 80 Cb -0.04 -2.63 2.14 0.00 -1.71 0.00 0.00 66.02 63.79 1ip3 s SER 80 CO -0.01 -0.65 2.29 0.00 1.20 0.00 0.00 173.24 176.07 1ip3 h SER 82 N 0.00 0.06 0.54 0.00 0.02 -1.89 -0.26 113.55 112.01 1ip3 h SER 82 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ip3 h SER 82 Cb 0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ip3 h SER 82 CO 0.00 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1ip3 h ALA 83 N 1.96 1.00 -0.35 3.77 0.00 -1.56 -1.78 119.26 122.29 1ip3 h ALA 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ip3 h ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ip3 h ALA 83 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ip3 n LEU 84 N -2.92 2.14 -0.16 0.00 4.77 -0.11 -3.71 117.00 117.01 1ip3 n LEU 84 Ca -0.01 -1.02 0.09 0.00 -0.03 0.00 0.00 56.01 55.04 1ip3 n LEU 84 Cb 0.19 -0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1ip3 n LEU 84 CO 0.22 0.51 0.58 0.18 -1.33 0.00 0.00 177.39 177.55 1ip3 n LEU 85 N 0.65 2.49 -4.89 2.23 4.77 -0.67 -3.27 117.00 118.31 1ip3 n LEU 85 Ca 0.15 -2.94 -0.29 0.00 -0.03 0.00 0.00 56.01 52.89 1ip3 n LEU 85 Cb 0.36 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ip3 n LEU 85 CO 0.11 0.68 0.24 -1.10 -1.33 0.00 0.00 177.39 175.99 1ip3 s GLN 86 N -2.64 3.68 0.27 3.23 -0.21 -1.24 -4.65 119.66 118.10 1ip3 s GLN 86 Ca 0.29 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.82 1ip3 s GLN 86 Cb 0.25 -2.61 0.37 0.00 1.00 0.00 0.00 33.01 32.02 1ip3 s GLN 86 CO 0.04 0.20 1.68 -0.44 -2.12 0.00 0.00 175.29 174.64 1ip3 h ASP 87 N 1.78 0.44 -3.65 5.90 5.19 -1.93 -3.38 116.42 120.77 1ip3 h ASP 87 Ca -0.47 -0.17 -0.56 0.00 -0.62 0.00 0.00 57.03 55.20 1ip3 h ASP 87 Cb 1.19 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.51 1ip3 h ASP 87 CO 0.66 0.76 0.94 0.21 -3.12 0.00 0.00 179.24 178.70 1ip3 s ASN 88 N -6.84 6.61 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.80 1ip3 s ASN 88 Ca -0.06 0.53 0.10 0.00 0.21 0.00 0.00 52.86 53.64 1ip3 s ASN 88 Cb 0.13 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.60 1ip3 s ASN 88 CO 0.79 -1.26 1.23 2.30 -2.79 0.00 0.00 177.10 177.37 1ip3 n ILE 89 N 6.84 0.56 -0.30 -5.21 -5.35 -1.26 -4.40 119.36 110.24 1ip3 n ILE 89 Ca 0.13 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1ip3 n ILE 89 Cb 0.49 0.15 0.13 0.00 -1.74 0.00 0.00 39.64 38.67 1ip3 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ip3 h ALA 90 N 3.54 1.15 -0.49 -1.28 0.00 -1.94 0.64 119.26 120.88 1ip3 h ALA 90 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ip3 h ALA 90 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ip3 h ALA 90 CO 0.03 0.27 0.02 -0.44 0.00 0.00 0.00 179.25 179.13 1ip3 h ASP 91 N 0.96 0.84 -0.56 0.00 5.19 -1.86 -1.78 116.42 119.20 1ip3 h ASP 91 Ca 0.36 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1ip3 h ASP 91 Cb 0.15 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 1ip3 h ASP 91 CO -0.17 0.93 0.25 0.00 -3.12 0.00 0.00 179.24 177.13 1ip3 h ALA 92 N 0.94 0.73 -0.51 3.45 0.00 -1.59 -1.84 119.26 120.45 1ip3 h ALA 92 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ip3 h ALA 92 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ip3 h ALA 92 CO 0.02 0.32 0.24 0.28 0.00 0.00 0.00 179.25 180.11 1ip3 h VAL 93 N 0.77 1.20 -0.75 0.00 2.07 -0.73 0.97 116.25 119.76 1ip3 h VAL 93 Ca 0.19 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1ip3 h VAL 93 Cb 0.16 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1ip3 h VAL 93 CO -0.02 0.22 0.40 0.00 0.02 0.00 0.00 177.57 178.19 1ip3 h ALA 94 N 1.08 1.28 -0.24 1.67 0.00 -1.12 -0.87 119.26 121.05 1ip3 h ALA 94 Ca 0.17 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1ip3 h ALA 94 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ip3 h ALA 94 CO -0.02 0.57 -0.60 0.00 0.00 0.00 0.00 179.25 179.20 1ip3 h ALA 96 N 0.70 1.32 -0.78 0.00 0.00 -0.27 -0.55 119.26 119.67 1ip3 h ALA 96 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ip3 h ALA 96 Cb 1.21 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ip3 h ALA 96 CO 0.13 0.62 0.38 0.87 0.00 0.00 0.00 179.25 181.25 1ip3 h LYS 97 N 1.31 1.13 -0.61 0.00 1.57 -1.09 -2.06 116.57 116.83 1ip3 h LYS 97 Ca 0.37 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1ip3 h LYS 97 Cb -0.11 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1ip3 h LYS 97 CO -0.09 0.88 0.24 -0.09 -0.57 0.00 0.00 179.45 179.82 1ip3 h ARG 98 N 1.11 0.91 -0.09 3.15 9.65 -0.83 -2.72 114.38 125.56 1ip3 h ARG 98 Ca 0.27 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1ip3 h ARG 98 Cb 0.12 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1ip3 h ARG 98 CO -0.03 0.77 -0.06 0.28 2.80 0.00 0.00 179.97 183.73 1ip3 h VAL 99 N 0.85 0.82 0.00 0.20 2.07 -0.70 -2.56 116.25 116.92 1ip3 h VAL 99 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ip3 h VAL 99 Cb 0.20 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ip3 h VAL 99 CO -0.02 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.90 1ip3 n VAL 100 N -5.19 0.22 1.17 2.57 0.24 -0.82 -2.01 118.33 114.53 1ip3 n VAL 100 Ca -0.04 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.45 1ip3 n VAL 100 Cb 0.12 -0.74 0.53 0.00 -1.47 0.00 0.00 33.84 32.28 1ip3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ip3 n ARG 101 N -1.16 0.28 -1.80 7.34 1.74 -0.96 -4.09 116.66 118.01 1ip3 n ARG 101 Ca 0.12 -0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1ip3 n ARG 101 Cb 0.12 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 1ip3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ip3 s ASP 102 N -2.78 5.92 0.35 0.55 -0.00 -0.85 -4.92 116.67 114.94 1ip3 s ASP 102 Ca 0.20 1.52 0.17 0.00 -0.00 0.00 0.00 52.55 54.43 1ip3 s ASP 102 Cb 0.19 -2.48 1.19 0.00 -0.00 0.00 0.00 42.92 41.82 1ip3 s ASP 102 CO 0.55 -1.08 1.61 -0.65 -0.00 0.00 0.00 175.17 175.60 1ip3 h PRO 103 N -0.36 0.12 0.00 8.23 0.11 -1.88 -0.22 132.00 137.99 1ip3 h PRO 103 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1ip3 h PRO 103 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ip3 h PRO 103 CO 0.60 0.08 -0.16 1.96 -0.21 0.00 0.00 178.00 180.27 1ip3 h GLN 104 N 0.13 0.00 0.00 1.05 4.20 -1.91 -3.49 115.11 115.08 1ip3 h GLN 104 Ca 0.78 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.49 1ip3 h GLN 104 Cb 1.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.71 1ip3 h GLN 104 CO -0.72 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.01 1ip3 n GLY 105 N 0.56 2.21 0.09 3.46 0.00 -0.10 -1.91 105.19 109.50 1ip3 n GLY 105 Ca 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1ip3 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ip3 n ILE 106 N 0.00 1.09 0.42 -0.61 3.06 -1.26 -2.12 119.36 119.94 1ip3 n ILE 106 Ca 0.00 0.39 0.05 0.00 -2.50 0.00 0.00 62.75 60.69 1ip3 n ILE 106 Cb 0.00 -1.30 0.24 0.00 0.54 0.00 0.00 39.64 39.11 1ip3 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1ip3 n ARG 107 N -1.96 0.09 0.08 9.51 1.74 -0.80 -2.28 116.66 123.04 1ip3 n ARG 107 Ca 0.01 0.25 0.09 0.00 -0.77 0.00 0.00 57.85 57.43 1ip3 n ARG 107 Cb 0.14 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.63 1ip3 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip3 h ALA 108 N 2.42 1.96 -2.18 7.54 0.00 -1.59 -3.39 119.26 124.03 1ip3 h ALA 108 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1ip3 h ALA 108 Cb 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 1ip3 h ALA 108 CO 0.00 -0.01 0.27 -1.58 0.00 0.00 0.00 179.25 177.93 1ip3 s TRP 109 N -5.26 3.08 0.21 0.00 0.51 -0.97 -4.94 118.94 111.57 1ip3 s TRP 109 Ca -0.07 0.29 -0.09 0.00 -2.12 0.00 0.00 56.10 54.11 1ip3 s TRP 109 Cb 0.18 -3.41 0.23 0.00 -0.81 0.00 0.00 33.47 29.67 1ip3 s TRP 109 CO 0.71 -0.80 1.81 0.28 -0.51 0.00 0.00 176.95 178.44 1ip3 h VAL 110 N 5.82 0.98 -0.77 4.03 2.07 -1.89 -1.78 116.25 124.71 1ip3 h VAL 110 Ca -0.25 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ip3 h VAL 110 Cb 1.10 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1ip3 h VAL 110 CO 0.90 0.13 0.51 0.00 0.02 0.00 0.00 177.57 179.13 1ip3 h ALA 111 N 1.34 1.50 -0.49 1.67 0.00 -1.95 -0.17 119.26 121.16 1ip3 h ALA 111 Ca 0.29 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1ip3 h ALA 111 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ip3 h ALA 111 CO -0.17 0.44 -0.15 2.35 0.00 0.00 0.00 179.25 181.72 1ip3 h TRP 112 N 0.99 1.09 -0.59 0.00 7.01 -1.70 0.42 115.95 123.17 1ip3 h TRP 112 Ca 0.29 -0.24 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1ip3 h TRP 112 Cb -0.03 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.74 1ip3 h TRP 112 CO -0.00 1.05 0.28 0.00 -2.79 0.00 0.00 178.44 176.98 1ip3 h ARG 113 N 0.82 0.85 -0.03 2.65 3.08 -0.51 0.84 114.38 122.08 1ip3 h ARG 113 Ca 0.12 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1ip3 h ARG 113 Cb 0.72 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1ip3 h ARG 113 CO 0.05 0.69 -0.80 -0.91 -1.07 0.00 0.00 179.97 177.93 1ip3 h ASN 114 N 0.80 0.37 0.00 7.04 2.35 -0.87 -3.31 115.58 121.96 1ip3 h ASN 114 Ca 0.20 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ip3 h ASN 114 Cb 0.12 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ip3 h ASN 114 CO -0.03 1.03 -0.72 0.54 -1.65 0.00 0.00 177.43 176.61 1ip3 n ARG 115 N -3.76 2.78 0.00 0.81 5.12 0.12 -4.86 116.66 116.88 1ip3 n ARG 115 Ca -0.04 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1ip3 n ARG 115 Cb 0.75 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 1ip3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ip3 n GLN 117 N -2.46 1.81 -0.76 0.00 7.27 -0.07 -1.59 117.38 121.58 1ip3 n GLN 117 Ca 0.00 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1ip3 n GLN 117 Cb 0.33 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.68 1ip3 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ip3 n ASN 118 N 2.47 -1.30 -4.84 1.69 5.03 -1.26 -4.94 115.26 112.11 1ip3 n ASN 118 Ca 0.14 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.38 1ip3 n ASN 118 Cb 0.28 -1.83 -0.04 0.00 -1.02 0.00 0.00 39.78 37.17 1ip3 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ip3 s ARG 119 N -0.82 2.88 -0.00 3.52 0.52 -0.62 -5.07 118.95 119.35 1ip3 s ARG 119 Ca 0.00 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 1ip3 s ARG 119 Cb 0.00 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 1ip3 s ARG 119 CO 0.00 0.31 1.39 0.34 0.02 0.00 0.00 175.30 177.36 1ip3 s ASP 120 N -3.89 6.86 -0.04 0.23 -1.08 -1.26 -4.86 116.67 112.62 1ip3 s ASP 120 Ca 0.35 2.10 0.06 0.00 -0.52 0.00 0.00 52.55 54.54 1ip3 s ASP 120 Cb -0.07 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 38.92 1ip3 s ASP 120 CO 0.26 -0.71 0.98 1.33 0.52 0.00 0.00 175.17 177.54 1ip3 n VAL 121 N 4.67 1.06 0.28 1.11 0.24 -1.26 -4.78 118.33 119.65 1ip3 n VAL 121 Ca 0.13 -1.17 0.13 0.00 -2.04 0.00 0.00 64.34 61.39 1ip3 n VAL 121 Cb 0.44 0.34 0.81 0.00 -1.47 0.00 0.00 33.84 33.96 1ip3 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip3 h ARG 122 N 0.00 0.00 0.00 7.34 3.08 -1.93 -1.97 114.38 120.89 1ip3 h ARG 122 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ip3 h ARG 122 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ip3 h ARG 122 CO 0.00 0.03 -0.05 -0.56 -1.07 0.00 0.00 179.97 178.33 1ip3 h GLN 123 N 0.00 0.00 0.00 0.04 -0.00 -1.96 -2.28 115.11 110.90 1ip3 h GLN 123 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1ip3 h GLN 123 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 1ip3 h GLN 123 CO 0.00 0.05 -0.20 1.88 -0.00 0.00 0.00 178.83 180.57 1ip3 h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.69 -3.25 116.97 112.14 1ip3 h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ip3 h TYR 124 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1ip3 h TYR 124 CO 0.00 0.20 -0.07 1.33 -1.05 0.00 0.00 178.16 178.57 1ip3 n VAL 125 N -3.52 0.00 -1.69 -2.88 0.24 -1.02 -4.83 118.33 104.63 1ip3 n VAL 125 Ca -0.01 -0.47 -0.44 0.00 -2.04 0.00 0.00 64.34 61.39 1ip3 n VAL 125 Cb 0.35 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 1ip3 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ip3 n GLN 126 N -0.59 2.50 -0.53 7.34 6.02 -0.89 -1.88 117.38 129.35 1ip3 n GLN 126 Ca 0.01 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1ip3 n GLN 126 Cb 0.05 -2.72 0.00 0.00 1.02 0.00 0.00 30.24 28.58 1ip3 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ip3 n GLY 127 N 3.79 1.60 0.01 1.08 0.00 -1.26 -4.88 105.19 105.53 1ip3 n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ip3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip3 n GLY 129 N 1.48 -0.25 0.51 0.00 0.00 -1.26 -4.95 105.19 100.72 1ip3 n GLY 129 Ca 0.06 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1ip3 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65