#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip4 s SER 2 N 0.00 6.95 -0.01 6.12 0.15 -1.26 -4.87 113.70 120.78 3ip4 s SER 2 Ca 0.00 1.18 0.03 0.00 0.70 0.00 0.00 55.95 57.86 3ip4 s SER 2 Cb 0.00 -2.47 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 3ip4 s SER 2 CO 0.00 -0.50 0.95 2.30 1.20 0.00 0.00 173.24 177.19 3ip4 n ILE 3 N 5.05 0.28 0.30 6.45 -6.64 -1.26 -4.26 119.36 119.27 3ip4 n ILE 3 Ca 0.07 -0.19 0.19 0.00 -1.77 0.00 0.00 62.75 61.04 3ip4 n ILE 3 Cb 0.48 -0.12 1.00 0.00 -1.44 0.00 0.00 39.64 39.56 3ip4 n ILE 3 CO 0.00 0.00 0.00 0.08 -1.77 0.00 0.00 176.55 174.86 3ip4 h ARG 4 N 0.71 0.00 -0.13 6.28 0.11 -1.87 -1.71 114.38 117.77 3ip4 h ARG 4 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ip4 h ARG 4 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3ip4 h ARG 4 CO 0.03 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.76 3ip4 n TYR 5 N -3.38 0.16 -2.41 4.08 4.01 -1.26 -4.44 117.16 113.91 3ip4 n TYR 5 Ca -0.02 -0.14 -0.35 0.00 -0.16 0.00 0.00 57.90 57.24 3ip4 n TYR 5 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 3ip4 n TYR 5 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ip4 s GLU 6 N -1.09 3.64 0.72 -0.72 0.41 -0.65 -5.01 118.70 116.01 3ip4 s GLU 6 Ca 0.19 1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 56.14 3ip4 s GLU 6 Cb 0.12 -2.11 0.02 0.00 -1.78 0.00 0.00 34.13 30.38 3ip4 s GLU 6 CO 0.17 -0.59 1.08 -1.54 -0.49 0.00 0.00 175.26 173.89 3ip4 s SER 7 N -1.82 5.25 0.13 -0.19 1.04 -1.26 -4.77 113.70 112.08 3ip4 s SER 7 Ca 0.69 1.34 -0.19 0.00 0.48 0.00 0.00 55.95 58.26 3ip4 s SER 7 Cb -0.21 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 3ip4 s SER 7 CO 0.24 -1.49 1.77 0.58 0.98 0.00 0.00 173.24 175.32 3ip4 h VAL 8 N -0.75 1.00 -0.35 5.02 2.07 -1.95 0.59 116.25 121.88 3ip4 h VAL 8 Ca -0.45 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3ip4 h VAL 8 Cb 1.24 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3ip4 h VAL 8 CO 0.61 0.04 0.10 -0.08 0.02 0.00 0.00 177.57 178.26 3ip4 h GLU 9 N 0.24 0.23 -0.34 1.57 4.81 -1.94 -0.26 114.58 118.89 3ip4 h GLU 9 Ca 0.09 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3ip4 h GLU 9 Cb 0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ip4 h GLU 9 CO -0.06 0.15 -0.37 -0.97 -0.73 0.00 0.00 179.01 177.03 3ip4 h ASN 10 N 0.23 0.83 -0.67 1.04 -1.24 -1.90 -2.62 115.58 111.25 3ip4 h ASN 10 Ca 0.16 -0.37 -0.06 0.00 0.71 0.00 0.00 56.30 56.74 3ip4 h ASN 10 Cb 0.16 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3ip4 h ASN 10 CO -0.19 1.11 0.17 0.25 -1.29 0.00 0.00 177.43 177.49 3ip4 h LEU 11 N 0.65 1.02 -0.24 0.34 5.85 -0.53 -0.43 115.31 121.96 3ip4 h LEU 11 Ca 0.06 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3ip4 h LEU 11 Cb 0.92 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3ip4 h LEU 11 CO 0.08 0.98 0.13 -0.07 -0.34 0.00 0.00 178.44 179.22 3ip4 h LEU 12 N 1.03 0.20 -0.26 2.25 3.38 -0.92 -1.50 115.31 119.49 3ip4 h LEU 12 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ip4 h LEU 12 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ip4 h LEU 12 CO 0.00 0.15 0.17 0.74 0.09 0.00 0.00 178.44 179.59 3ip4 h THR 13 N 0.27 1.08 -0.65 0.22 2.02 -1.06 -0.34 112.91 114.45 3ip4 h THR 13 Ca 0.10 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.20 3ip4 h THR 13 Cb 0.01 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 3ip4 h THR 13 CO -0.06 0.07 0.32 -0.07 0.37 0.00 0.00 175.52 176.15 3ip4 h LEU 14 N 0.34 0.43 -0.24 2.58 4.07 -0.82 0.17 115.31 121.84 3ip4 h LEU 14 Ca 0.09 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 3ip4 h LEU 14 Cb -0.02 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 3ip4 h LEU 14 CO -0.02 0.26 -0.24 0.40 -1.08 0.00 0.00 178.44 177.76 3ip4 h ILE 15 N 0.57 1.32 -0.59 1.22 2.04 -1.04 0.19 117.51 121.22 3ip4 h ILE 15 Ca 0.31 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 3ip4 h ILE 15 Cb 0.29 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3ip4 h ILE 15 CO -0.24 0.44 0.08 0.50 0.00 0.00 0.00 178.15 178.93 3ip4 h LYS 16 N 0.29 0.96 -0.00 2.37 3.64 -0.65 -1.92 116.57 121.26 3ip4 h LYS 16 Ca 0.04 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3ip4 h LYS 16 Cb 0.80 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3ip4 h LYS 16 CO 0.06 0.90 0.00 -0.25 -2.27 0.00 0.00 179.45 177.89 3ip4 n ASP 17 N -4.22 0.04 -3.62 4.20 8.00 0.56 -4.90 116.55 116.59 3ip4 n ASP 17 Ca 0.04 -1.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.00 3ip4 n ASP 17 Cb 0.28 -0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.45 3ip4 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ip4 n LYS 18 N -0.83 -7.11 0.00 -1.24 5.02 -0.72 -4.90 118.16 108.38 3ip4 n LYS 18 Ca 0.17 0.78 0.12 0.00 -2.02 0.00 0.00 58.31 57.36 3ip4 n LYS 18 Cb 0.08 -5.77 0.13 0.00 -0.02 0.00 0.00 35.03 29.45 3ip4 n LYS 18 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ip4 n LYS 19 N -4.73 0.62 -3.60 1.97 5.02 0.63 -4.91 118.16 113.16 3ip4 n LYS 19 Ca -0.07 -0.46 -0.13 0.00 -2.02 0.00 0.00 58.31 55.63 3ip4 n LYS 19 Cb 0.58 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 3ip4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3ip4 s ILE 20 N -2.69 0.00 0.19 -0.18 2.07 -1.23 -5.01 121.20 114.35 3ip4 s ILE 20 Ca 0.17 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.27 3ip4 s ILE 20 Cb 0.18 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.70 3ip4 s ILE 20 CO 0.64 0.00 0.58 -0.54 -1.91 0.00 0.00 174.94 173.72 3ip4 s LYS 21 N -0.22 3.95 0.38 3.50 1.02 -1.26 -4.48 119.74 122.63 3ip4 s LYS 21 Ca -0.02 0.48 0.13 0.00 0.02 0.00 0.00 55.97 56.58 3ip4 s LYS 21 Cb -0.03 -2.80 0.95 0.00 -0.52 0.00 0.00 37.83 35.43 3ip4 s LYS 21 CO 0.02 0.39 1.85 -1.35 -0.92 0.00 0.00 175.35 175.34 3ip4 h PRO 22 N 3.13 0.54 -0.44 -1.68 0.11 -1.89 0.16 132.00 131.93 3ip4 h PRO 22 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3ip4 h PRO 22 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3ip4 h PRO 22 CO 0.67 0.35 0.09 0.66 -0.21 0.00 0.00 178.00 179.56 3ip4 h SER 23 N 0.55 0.62 0.99 -2.05 4.64 -1.94 -0.95 113.55 115.41 3ip4 h SER 23 Ca 0.47 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.52 3ip4 h SER 23 Cb 0.96 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3ip4 h SER 23 CO -0.21 0.63 -0.79 0.44 -0.87 0.00 0.00 176.83 176.03 3ip4 h ASP 24 N 0.65 0.00 0.05 4.97 3.32 -1.39 -1.96 116.42 122.06 3ip4 h ASP 24 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ip4 h ASP 24 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ip4 h ASP 24 CO -0.00 0.79 -0.02 0.58 -1.72 0.00 0.00 179.24 178.87 3ip4 h VAL 25 N 0.00 1.04 -1.00 -1.35 2.07 -0.69 -1.60 116.25 114.73 3ip4 h VAL 25 Ca -0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3ip4 h VAL 25 Cb 1.50 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 3ip4 h VAL 25 CO 0.10 0.07 0.66 0.58 0.02 0.00 0.00 177.57 179.01 3ip4 h VAL 26 N -0.20 1.25 -0.51 2.57 2.07 -1.16 -1.78 116.25 118.49 3ip4 h VAL 26 Ca -0.01 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3ip4 h VAL 26 Cb 0.17 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 3ip4 h VAL 26 CO 0.01 0.25 0.32 0.50 0.02 0.00 0.00 177.57 178.67 3ip4 h LYS 27 N 1.34 0.63 -0.99 1.57 3.64 -1.05 -1.74 116.57 119.97 3ip4 h LYS 27 Ca 0.37 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3ip4 h LYS 27 Cb -0.14 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.48 3ip4 h LYS 27 CO -0.08 0.42 0.65 -0.44 -2.27 0.00 0.00 179.45 177.73 3ip4 h ASP 28 N 0.65 1.13 0.13 4.20 5.19 -0.72 -1.43 116.42 125.56 3ip4 h ASP 28 Ca 0.20 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3ip4 h ASP 28 Cb -0.02 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.21 3ip4 h ASP 28 CO -0.07 0.81 -0.06 0.40 -3.12 0.00 0.00 179.24 177.20 3ip4 h ILE 29 N 1.33 0.95 0.00 0.35 1.08 -0.72 -1.61 117.51 118.88 3ip4 h ILE 29 Ca 0.37 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3ip4 h ILE 29 Cb -0.13 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 3ip4 h ILE 29 CO -0.08 0.07 -0.22 1.88 -0.69 0.00 0.00 178.15 179.11 3ip4 h TYR 30 N -0.31 0.00 -0.46 1.37 0.05 -1.16 -0.96 116.97 115.49 3ip4 h TYR 30 Ca -0.02 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 3ip4 h TYR 30 Cb 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3ip4 h TYR 30 CO -0.02 0.22 -0.09 -0.44 -1.05 0.00 0.00 178.16 176.78 3ip4 h ASP 31 N 0.00 0.88 -0.35 3.88 3.32 -1.05 -1.20 116.42 121.90 3ip4 h ASP 31 Ca -0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3ip4 h ASP 31 Cb 0.49 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3ip4 h ASP 31 CO 0.03 1.03 0.14 0.00 -1.72 0.00 0.00 179.24 178.71 3ip4 h ALA 32 N 0.88 0.45 -0.42 3.45 0.00 -0.50 -1.22 119.26 121.90 3ip4 h ALA 32 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ip4 h ALA 32 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ip4 h ALA 32 CO 0.04 0.05 0.25 0.82 0.00 0.00 0.00 179.25 180.41 3ip4 h ILE 33 N 0.41 1.14 -0.61 0.00 2.04 -1.08 0.31 117.51 119.72 3ip4 h ILE 33 Ca 0.12 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3ip4 h ILE 33 Cb 0.19 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3ip4 h ILE 33 CO -0.01 0.14 0.23 -0.33 0.00 0.00 0.00 178.15 178.18 3ip4 h GLU 34 N 0.55 0.89 0.15 2.37 5.08 -1.07 0.84 114.58 123.39 3ip4 h GLU 34 Ca 0.15 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 3ip4 h GLU 34 Cb 0.01 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.13 3ip4 h GLU 34 CO -0.03 0.73 -0.96 1.49 -1.00 0.00 0.00 179.01 179.25 3ip4 h GLU 35 N 0.87 0.38 0.00 2.33 4.81 -0.86 -3.41 114.58 118.70 3ip4 h GLU 35 Ca 0.21 -0.61 -0.38 0.00 -0.13 0.00 0.00 59.36 58.45 3ip4 h GLU 35 Cb 0.18 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 3ip4 h GLU 35 CO -0.02 1.28 -2.42 2.41 -0.73 0.00 0.00 179.01 179.54 3ip4 n THR 36 N -4.03 1.42 0.30 0.32 -1.04 0.11 -4.56 114.28 106.79 3ip4 n THR 36 Ca -0.14 -0.71 0.18 0.00 -2.04 0.00 0.00 64.05 61.34 3ip4 n THR 36 Cb 0.88 -0.92 0.87 0.00 -1.82 0.00 0.00 70.33 69.34 3ip4 n THR 36 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3ip4 h ASP 37 N 0.00 0.00 -0.07 8.00 3.58 -0.95 -1.94 116.42 125.04 3ip4 h ASP 37 Ca -0.56 0.00 0.02 0.00 0.42 0.00 0.00 57.03 56.91 3ip4 h ASP 37 Cb 2.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.12 3ip4 h ASP 37 CO -0.03 0.03 0.06 -0.65 -2.88 0.00 0.00 179.24 175.77 3ip4 h PRO 38 N 0.00 0.00 0.00 0.28 0.11 -1.79 0.44 132.00 131.03 3ip4 h PRO 38 Ca -0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3ip4 h PRO 38 Cb 0.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3ip4 h PRO 38 CO 0.00 0.00 -0.96 1.15 -0.21 0.00 0.00 178.00 177.98 3ip4 h THR 39 N 0.00 0.95 -0.19 -1.15 2.02 -1.68 -3.39 112.91 109.47 3ip4 h THR 39 Ca 0.03 -2.07 -0.16 0.00 0.77 0.00 0.00 66.41 64.98 3ip4 h THR 39 Cb 0.16 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3ip4 h THR 39 CO -0.00 0.32 -0.54 0.40 0.37 0.00 0.00 175.52 176.07 3ip4 h ILE 40 N -1.00 1.32 -6.15 3.11 1.08 -1.27 -3.42 117.51 111.18 3ip4 h ILE 40 Ca -0.25 -1.79 -0.44 0.00 -0.39 0.00 0.00 64.86 61.99 3ip4 h ILE 40 Cb 1.16 1.76 0.03 0.00 -3.07 0.00 0.00 36.82 36.69 3ip4 h ILE 40 CO -0.15 0.56 -0.81 0.29 -0.69 0.00 0.00 178.15 177.34 3ip4 n LYS 41 N -3.96 -5.14 0.02 2.37 5.02 0.15 -1.56 118.16 115.06 3ip4 n LYS 41 Ca -0.03 0.61 -0.05 0.00 -2.02 0.00 0.00 58.31 56.82 3ip4 n LYS 41 Cb 0.60 -5.27 -0.11 0.00 -0.02 0.00 0.00 35.03 30.23 3ip4 n LYS 41 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3ip4 h SER 42 N -1.95 0.00 -3.39 4.39 4.64 -1.89 -3.34 113.55 112.00 3ip4 h SER 42 Ca -0.60 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.17 3ip4 h SER 42 Cb 1.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3ip4 h SER 42 CO 0.60 0.84 -0.13 -0.36 -0.87 0.00 0.00 176.83 176.90 3ip4 s PHE 43 N -2.74 3.46 0.00 4.77 0.08 -1.26 0.10 117.98 122.39 3ip4 s PHE 43 Ca -0.03 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.89 3ip4 s PHE 43 Cb 0.08 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3ip4 s PHE 43 CO 0.81 0.31 0.00 1.28 -0.10 0.00 0.00 175.22 177.53 3ip4 n LEU 44 N 0.04 0.00 -4.71 -0.37 4.77 0.36 -4.65 117.00 112.44 3ip4 n LEU 44 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3ip4 n LEU 44 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3ip4 n LEU 44 CO 0.45 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.56 3ip4 s ALA 45 N -2.73 3.58 0.11 -1.18 0.00 -1.26 -4.79 121.76 115.49 3ip4 s ALA 45 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3ip4 s ALA 45 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3ip4 s ALA 45 CO 0.00 -0.62 0.30 -0.51 0.00 0.00 0.00 175.76 174.93 3ip4 s LEU 46 N 1.20 4.31 -0.31 0.00 1.43 -1.26 0.19 118.68 124.24 3ip4 s LEU 46 Ca 0.64 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3ip4 s LEU 46 Cb -0.36 -3.15 0.46 0.00 0.03 0.00 0.00 46.19 43.17 3ip4 s LEU 46 CO 0.30 0.10 1.20 -0.67 0.23 0.00 0.00 176.35 177.51 3ip4 n ASP 47 N 0.14 4.96 -0.17 2.29 2.03 -0.18 -4.89 116.55 120.72 3ip4 n ASP 47 Ca -0.04 -3.75 -0.03 0.00 0.52 0.00 0.00 54.79 51.50 3ip4 n ASP 47 Cb 0.51 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.59 3ip4 n ASP 47 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3ip4 h LYS 48 N 2.21 -0.01 -0.11 -0.67 3.64 -1.88 0.89 116.57 120.64 3ip4 h LYS 48 Ca 0.37 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3ip4 h LYS 48 Cb 1.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 3ip4 h LYS 48 CO 0.78 -0.01 -0.14 1.49 -2.27 0.00 0.00 179.45 179.31 3ip4 h GLU 49 N -0.01 -0.17 -0.09 1.90 4.57 -1.96 -0.20 114.58 118.62 3ip4 h GLU 49 Ca 0.25 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.33 3ip4 h GLU 49 Cb 0.39 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3ip4 h GLU 49 CO -0.54 -0.11 -0.46 -0.91 -1.18 0.00 0.00 179.01 175.80 3ip4 h ASN 50 N -0.17 0.22 -0.42 1.04 2.35 -1.83 -2.49 115.58 114.28 3ip4 h ASN 50 Ca 0.09 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3ip4 h ASN 50 Cb 0.30 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3ip4 h ASN 50 CO -0.22 0.66 0.05 0.00 -1.65 0.00 0.00 177.43 176.27 3ip4 h ALA 51 N 1.35 0.56 -0.59 -0.83 0.00 -0.36 -0.42 119.26 118.98 3ip4 h ALA 51 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ip4 h ALA 51 Cb 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ip4 h ALA 51 CO 0.07 0.29 0.16 0.82 0.00 0.00 0.00 179.25 180.59 3ip4 h ILE 52 N 0.55 1.25 -0.31 0.00 2.04 -0.97 -1.10 117.51 118.97 3ip4 h ILE 52 Ca 0.12 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3ip4 h ILE 52 Cb 0.40 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3ip4 h ILE 52 CO 0.01 0.32 0.15 0.50 0.00 0.00 0.00 178.15 179.14 3ip4 h LYS 53 N 0.84 0.44 -0.56 2.37 1.63 -1.25 -2.18 116.57 117.86 3ip4 h LYS 53 Ca 0.19 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3ip4 h LYS 53 Cb 0.32 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3ip4 h LYS 53 CO -0.00 0.41 0.31 -0.22 -3.45 0.00 0.00 179.45 176.50 3ip4 h LYS 54 N 0.37 0.78 -0.46 1.90 1.63 -0.90 -2.38 116.57 117.50 3ip4 h LYS 54 Ca 0.11 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3ip4 h LYS 54 Cb 0.11 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3ip4 h LYS 54 CO -0.01 0.59 0.31 0.00 -3.45 0.00 0.00 179.45 176.88 3ip4 h ALA 55 N 1.14 1.71 -0.51 5.00 0.00 -0.98 -0.67 119.26 124.96 3ip4 h ALA 55 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ip4 h ALA 55 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ip4 h ALA 55 CO -0.03 0.26 -0.02 1.96 0.00 0.00 0.00 179.25 181.41 3ip4 h GLN 56 N 0.59 0.86 -0.35 0.00 4.20 -0.89 0.11 115.11 119.64 3ip4 h GLN 56 Ca 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3ip4 h GLN 56 Cb -0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3ip4 h GLN 56 CO -0.04 0.88 0.16 0.93 -0.67 0.00 0.00 178.83 180.09 3ip4 h GLU 57 N 0.80 0.50 0.00 1.46 5.08 -0.86 -2.52 114.58 119.04 3ip4 h GLU 57 Ca 0.15 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3ip4 h GLU 57 Cb 0.51 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ip4 h GLU 57 CO 0.03 0.46 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.04 3ip4 h LEU 58 N 0.42 0.00 -0.43 1.33 3.38 -0.82 -1.94 115.31 117.26 3ip4 h LEU 58 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ip4 h LEU 58 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3ip4 h LEU 58 CO -0.01 0.38 0.26 0.44 0.09 0.00 0.00 178.44 179.60 3ip4 h ASP 59 N 0.00 0.51 -0.38 -0.43 5.19 -0.43 0.22 116.42 121.10 3ip4 h ASP 59 Ca -0.00 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 3ip4 h ASP 59 Cb 0.69 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 3ip4 h ASP 59 CO 0.05 0.41 0.15 -0.08 -3.12 0.00 0.00 179.24 176.65 3ip4 h GLU 60 N 0.57 0.56 -0.89 3.56 4.81 -1.04 -1.20 114.58 120.95 3ip4 h GLU 60 Ca 0.15 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ip4 h GLU 60 Cb -0.01 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 3ip4 h GLU 60 CO -0.03 0.54 0.50 -0.07 -0.73 0.00 0.00 179.01 179.22 3ip4 h LEU 61 N 0.46 1.09 -0.12 1.64 3.38 -1.11 -0.85 115.31 119.80 3ip4 h LEU 61 Ca 0.13 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ip4 h LEU 61 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ip4 h LEU 61 CO -0.01 0.86 0.05 -0.61 0.09 0.00 0.00 178.44 178.83 3ip4 h GLN 62 N 1.24 0.12 -0.80 1.13 4.15 -0.58 -0.16 115.11 120.20 3ip4 h GLN 62 Ca 0.32 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.75 3ip4 h GLN 62 Cb -0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 3ip4 h GLN 62 CO -0.05 0.08 0.53 0.00 -1.93 0.00 0.00 178.83 177.45 3ip4 h ALA 63 N 1.07 1.49 -0.08 3.38 0.00 -0.70 -1.99 119.26 122.42 3ip4 h ALA 63 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ip4 h ALA 63 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ip4 h ALA 63 CO -0.04 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.29 3ip4 n LYS 64 N -4.44 1.47 -3.44 0.00 5.02 -0.37 -4.93 118.16 111.47 3ip4 n LYS 64 Ca 0.10 -0.70 -0.18 0.00 -2.02 0.00 0.00 58.31 55.51 3ip4 n LYS 64 Cb 0.08 -1.40 0.09 0.00 -0.02 0.00 0.00 35.03 33.78 3ip4 n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ip4 n ASP 65 N -0.11 -2.99 -2.63 4.39 8.00 -0.57 -4.94 116.55 117.71 3ip4 n ASP 65 Ca 0.17 -0.59 -0.17 0.00 0.71 0.00 0.00 54.79 54.91 3ip4 n ASP 65 Cb 0.25 -5.02 0.01 0.00 -0.02 0.00 0.00 41.12 36.35 3ip4 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ip4 n GLN 66 N -4.26 2.04 -2.51 -1.24 6.02 -0.18 -5.01 117.38 112.25 3ip4 n GLN 66 Ca -0.22 -3.77 -0.43 0.00 -0.01 0.00 0.00 57.00 52.57 3ip4 n GLN 66 Cb 0.64 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ip4 n GLN 66 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3ip4 n MET 67 N -0.20 3.51 -2.41 -1.09 2.81 -1.26 -4.77 117.12 113.71 3ip4 n MET 67 Ca 0.21 -3.59 -0.28 0.00 -1.81 0.00 0.00 57.70 52.23 3ip4 n MET 67 Cb 0.74 -2.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.27 3ip4 n MET 67 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ip4 s ASP 68 N 1.61 6.23 0.00 7.83 1.01 -1.26 -4.96 116.67 127.12 3ip4 s ASP 68 Ca 0.41 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.73 3ip4 s ASP 68 Cb 0.06 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.70 3ip4 s ASP 68 CO 0.00 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.31 3ip4 n GLY 69 N -2.41 3.25 0.26 0.21 0.00 -1.26 -4.55 105.19 100.68 3ip4 n GLY 69 Ca 0.02 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3ip4 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ip4 h LYS 70 N 0.00 0.00 -0.56 1.61 1.57 -1.89 -3.18 116.57 114.11 3ip4 h LYS 70 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3ip4 h LYS 70 Cb 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.90 3ip4 h LYS 70 CO 0.00 0.13 -0.97 1.28 -0.57 0.00 0.00 179.45 179.31 3ip4 n LEU 71 N -3.38 3.09 -4.65 2.94 4.77 -0.82 -5.04 117.00 113.91 3ip4 n LEU 71 Ca -0.01 -3.80 -0.50 0.00 -0.03 0.00 0.00 56.01 51.67 3ip4 n LEU 71 Cb 0.32 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3ip4 n LEU 71 CO 0.30 1.51 1.52 0.33 -1.33 0.00 0.00 177.39 179.73 3ip4 n PHE 72 N -0.64 2.15 -0.99 -1.77 -0.00 -0.97 -1.53 117.46 113.72 3ip4 n PHE 72 Ca 0.24 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.83 3ip4 n PHE 72 Cb 0.88 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.76 3ip4 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ip4 n GLY 73 N 4.76 0.35 3.62 7.13 0.00 -0.46 -4.85 105.19 115.73 3ip4 n GLY 73 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3ip4 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ip4 s ILE 74 N -1.74 4.96 0.47 -0.61 -1.09 -0.58 -4.76 121.20 117.85 3ip4 s ILE 74 Ca 0.00 1.11 -0.24 0.00 -2.23 0.00 0.00 60.65 59.29 3ip4 s ILE 74 Cb 0.00 -3.97 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3ip4 s ILE 74 CO 0.00 -0.03 1.27 -2.84 -1.23 0.00 0.00 174.94 172.11 3ip4 s PRO 75 N 2.57 3.63 -0.02 2.79 0.02 -1.26 -0.17 135.00 142.56 3ip4 s PRO 75 Ca 0.27 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 3ip4 s PRO 75 Cb -0.15 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3ip4 s PRO 75 CO 0.09 -0.74 0.10 0.00 -0.33 0.00 0.00 177.00 176.13 3ip4 s MET 76 N -2.62 0.25 -0.07 5.54 0.23 0.00 -4.17 119.30 118.46 3ip4 s MET 76 Ca 0.64 -0.08 0.01 0.00 -1.03 0.00 0.00 55.69 55.23 3ip4 s MET 76 Cb -0.35 0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.02 3ip4 s MET 76 CO 0.43 -0.05 -0.08 0.20 -2.03 0.00 0.00 175.02 173.49 3ip4 s GLY 77 N -0.49 1.66 -0.13 3.16 0.00 -0.96 -1.30 107.32 109.25 3ip4 s GLY 77 Ca -0.06 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3ip4 s GLY 77 CO 0.00 -0.62 -0.19 -0.42 0.00 0.00 0.00 173.10 171.88 3ip4 s ILE 78 N -0.65 1.82 0.22 0.90 -1.09 -0.74 -1.80 121.20 119.86 3ip4 s ILE 78 Ca 0.10 -0.83 -0.31 0.00 -2.23 0.00 0.00 60.65 57.38 3ip4 s ILE 78 Cb -0.11 -1.64 -0.15 0.00 -1.58 0.00 0.00 42.46 38.98 3ip4 s ILE 78 CO 0.02 0.50 1.13 1.17 -1.23 0.00 0.00 174.94 176.53 3ip4 n LYS 79 N 4.21 1.32 0.00 2.79 4.81 -0.75 -0.14 118.16 130.40 3ip4 n LYS 79 Ca -0.19 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3ip4 n LYS 79 Cb 0.51 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.63 3ip4 n LYS 79 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3ip4 n ASP 80 N 1.74 0.49 -0.47 3.14 2.03 -0.62 -1.93 116.55 120.92 3ip4 n ASP 80 Ca 0.13 -1.16 0.05 0.00 0.52 0.00 0.00 54.79 54.33 3ip4 n ASP 80 Cb 0.28 -0.24 0.07 0.00 -0.72 0.00 0.00 41.12 40.51 3ip4 n ASP 80 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ip4 n ASN 81 N 0.10 2.17 -4.53 1.67 6.94 -1.26 -0.64 115.26 119.71 3ip4 n ASN 81 Ca 0.00 -1.60 -0.39 0.00 -0.02 0.00 0.00 54.58 52.57 3ip4 n ASN 81 Cb 0.12 -0.06 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 3ip4 n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ip4 s ILE 82 N -0.91 5.14 0.11 1.53 1.01 -0.81 -0.14 121.20 127.13 3ip4 s ILE 82 Ca 0.15 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.36 3ip4 s ILE 82 Cb 0.10 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 3ip4 s ILE 82 CO 0.14 0.11 1.77 -0.38 0.00 0.00 0.00 174.94 176.57 3ip4 n ILE 83 N 5.06 0.27 -3.98 2.92 2.08 0.90 -4.93 119.36 121.68 3ip4 n ILE 83 Ca -0.13 -0.05 -0.31 0.00 0.56 0.00 0.00 62.75 62.82 3ip4 n ILE 83 Cb 0.50 -1.95 -0.16 0.00 -0.75 0.00 0.00 39.64 37.29 3ip4 n ILE 83 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3ip4 s THR 84 N 2.31 1.71 -0.04 1.39 -4.23 -1.26 -2.96 115.64 112.56 3ip4 s THR 84 Ca 0.82 -1.26 -0.37 0.00 -1.18 0.00 0.00 61.69 59.70 3ip4 s THR 84 Cb -0.56 -1.89 -0.15 0.00 1.34 0.00 0.00 72.50 71.25 3ip4 s THR 84 CO 0.39 -0.02 1.60 -3.20 -0.54 0.00 0.00 174.62 172.85 3ip4 n ASN 85 N 4.62 2.46 0.00 3.99 4.05 -1.19 -1.25 115.26 127.94 3ip4 n ASN 85 Ca -0.13 1.07 0.00 0.00 0.45 0.00 0.00 54.58 55.97 3ip4 n ASN 85 Cb 0.44 -1.25 0.00 0.00 1.23 0.00 0.00 39.78 40.20 3ip4 n ASN 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ip4 n GLY 86 N 3.53 0.42 3.01 8.20 0.00 -0.72 -4.97 105.19 114.66 3ip4 n GLY 86 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3ip4 n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ip4 s LEU 87 N 0.00 1.60 -0.26 0.99 2.96 -0.38 -4.92 118.68 118.67 3ip4 s LEU 87 Ca 0.00 -0.41 -0.34 0.00 -0.22 0.00 0.00 54.13 53.15 3ip4 s LEU 87 Cb 0.00 -1.05 -0.15 0.00 0.50 0.00 0.00 46.19 45.48 3ip4 s LEU 87 CO 0.00 -0.03 1.10 1.21 -1.32 0.00 0.00 176.35 177.30 3ip4 n GLU 88 N 4.50 0.00 -3.84 1.98 2.13 -1.26 -4.46 120.64 119.69 3ip4 n GLU 88 Ca -0.17 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.35 3ip4 n GLU 88 Cb 0.51 -1.16 -0.15 0.00 0.27 0.00 0.00 31.44 30.90 3ip4 n GLU 88 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3ip4 s THR 89 N 1.53 1.23 -0.39 6.31 2.01 -0.27 -4.82 115.64 121.25 3ip4 s THR 89 Ca 0.77 -1.31 0.19 0.00 0.31 0.00 0.00 61.69 61.66 3ip4 s THR 89 Cb -1.10 -1.73 -0.26 0.00 0.01 0.00 0.00 72.50 69.41 3ip4 s THR 89 CO 0.57 -0.38 0.58 0.35 -0.69 0.00 0.00 174.62 175.05 3ip4 n THR 90 N 4.74 0.00 -1.69 -0.82 -2.24 -1.23 -4.61 114.28 108.43 3ip4 n THR 90 Ca -0.06 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 3ip4 n THR 90 Cb 0.44 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 3ip4 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ip4 n ALA 92 N 0.99 -0.92 -2.51 0.00 0.00 -1.26 -0.94 120.51 115.87 3ip4 n ALA 92 Ca -0.21 0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 3ip4 n ALA 92 Cb 0.68 -3.21 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 3ip4 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ip4 s SER 93 N -2.54 2.24 0.56 0.00 0.15 -0.28 -1.29 113.70 112.53 3ip4 s SER 93 Ca 0.25 -0.45 0.26 0.00 0.70 0.00 0.00 55.95 56.70 3ip4 s SER 93 Cb -0.12 -0.20 1.63 0.00 -1.71 0.00 0.00 66.02 65.63 3ip4 s SER 93 CO 0.31 0.16 2.20 0.50 1.20 0.00 0.00 173.24 177.61 3ip4 h LYS 94 N 5.13 0.00 -0.34 5.44 3.64 -1.86 -1.70 116.57 126.87 3ip4 h LYS 94 Ca -0.40 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.01 3ip4 h LYS 94 Cb 1.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3ip4 h LYS 94 CO 0.45 0.02 0.23 1.98 -2.27 0.00 0.00 179.45 179.86 3ip4 h MET 95 N 0.00 0.33 0.00 1.90 4.05 -1.77 -2.81 114.93 116.63 3ip4 h MET 95 Ca -0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3ip4 h MET 95 Cb 0.05 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 3ip4 h MET 95 CO 0.00 0.22 -0.16 1.28 0.23 0.00 0.00 176.91 178.49 3ip4 n LEU 96 N -4.49 2.27 -4.72 3.39 4.77 -0.69 -0.55 117.00 116.99 3ip4 n LEU 96 Ca 0.03 -3.13 -0.42 0.00 -0.03 0.00 0.00 56.01 52.46 3ip4 n LEU 96 Cb 0.16 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3ip4 n LEU 96 CO 0.35 0.83 1.25 -0.70 -1.33 0.00 0.00 177.39 177.79 3ip4 s GLU 97 N -2.75 4.20 0.00 3.23 2.12 -0.91 -1.34 118.70 123.26 3ip4 s GLU 97 Ca 0.32 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.04 3ip4 s GLU 97 Cb 0.29 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.52 3ip4 s GLU 97 CO 0.00 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 3ip4 n GLY 98 N 3.79 0.77 3.64 -1.50 0.00 -1.26 -4.88 105.19 105.76 3ip4 n GLY 98 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3ip4 n GLY 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ip4 s PHE 99 N -3.12 2.65 -0.34 1.61 5.36 -0.45 -4.97 117.98 118.72 3ip4 s PHE 99 Ca 0.00 0.85 -0.07 0.00 -0.96 0.00 0.00 56.93 56.75 3ip4 s PHE 99 Cb 0.00 -3.74 0.04 0.00 -0.34 0.00 0.00 43.02 38.97 3ip4 s PHE 99 CO 0.00 -1.97 0.12 0.08 -1.46 0.00 0.00 175.22 171.99 3ip4 s VAL 100 N 4.08 3.93 0.61 3.12 1.01 -1.26 -1.11 120.40 130.78 3ip4 s VAL 100 Ca 0.58 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 3ip4 s VAL 100 Cb -0.21 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3ip4 s VAL 100 CO 0.20 -0.18 1.27 -2.65 0.00 0.00 0.00 175.10 173.74 3ip4 n PRO 101 N 4.85 1.25 -0.29 2.72 -0.02 -1.26 -4.81 135.00 137.43 3ip4 n PRO 101 Ca -0.12 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 3ip4 n PRO 101 Cb 0.45 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.64 3ip4 n PRO 101 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3ip4 n ILE 102 N -1.64 1.53 -4.08 4.25 -5.35 -1.26 -1.76 119.36 111.05 3ip4 n ILE 102 Ca 0.14 -1.35 -0.10 0.00 -0.27 0.00 0.00 62.75 61.17 3ip4 n ILE 102 Cb 0.47 0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.49 3ip4 n ILE 102 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 3ip4 s TYR 103 N -1.74 0.73 -0.10 4.28 1.13 -1.26 -4.99 117.35 115.40 3ip4 s TYR 103 Ca 0.31 -1.03 -0.00 0.00 -1.41 0.00 0.00 57.07 54.94 3ip4 s TYR 103 Cb 0.21 -0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 3ip4 s TYR 103 CO 0.13 -0.77 -0.07 -2.00 -2.51 0.00 0.00 175.55 170.33 3ip4 s GLU 104 N -4.07 3.07 0.64 -3.49 2.56 -1.26 -3.15 118.70 113.00 3ip4 s GLU 104 Ca 0.28 -0.57 -0.15 0.00 0.00 0.00 0.00 54.97 54.53 3ip4 s GLU 104 Cb 0.04 -2.67 -0.01 0.00 2.00 0.00 0.00 34.13 33.49 3ip4 s GLU 104 CO 0.08 0.49 1.09 -1.54 -0.56 0.00 0.00 175.26 174.82 3ip4 s SER 105 N -0.33 5.29 0.16 -1.70 1.04 -1.16 -4.86 113.70 112.14 3ip4 s SER 105 Ca 0.05 1.94 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 3ip4 s SER 105 Cb -0.12 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.50 3ip4 s SER 105 CO 0.02 -1.51 1.71 0.74 0.98 0.00 0.00 173.24 175.19 3ip4 h THR 106 N 0.11 1.22 -0.40 2.02 2.02 -1.63 -1.41 112.91 114.85 3ip4 h THR 106 Ca -0.47 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 3ip4 h THR 106 Cb 1.24 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3ip4 h THR 106 CO 0.55 0.26 0.18 -0.37 0.37 0.00 0.00 175.52 176.51 3ip4 h VAL 107 N 0.73 1.14 -0.20 3.16 -1.51 -1.86 -0.76 116.25 116.95 3ip4 h VAL 107 Ca 0.18 -0.41 -0.20 0.00 -1.23 0.00 0.00 66.70 65.04 3ip4 h VAL 107 Cb 0.20 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 3ip4 h VAL 107 CO -0.01 0.16 -0.66 0.24 -1.23 0.00 0.00 177.57 176.07 3ip4 h MET 108 N 0.55 0.77 -0.81 5.19 2.07 -1.80 -0.71 114.93 120.18 3ip4 h MET 108 Ca 0.14 -0.55 0.05 0.00 -2.07 0.00 0.00 59.70 57.27 3ip4 h MET 108 Cb 0.07 0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.84 3ip4 h MET 108 CO -0.02 1.17 0.50 1.49 1.07 0.00 0.00 176.91 181.13 3ip4 h GLU 109 N 0.56 0.92 -0.31 1.72 4.57 -0.53 -0.42 114.58 121.08 3ip4 h GLU 109 Ca -0.02 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 3ip4 h GLU 109 Cb 1.27 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3ip4 h GLU 109 CO 0.14 0.61 -0.09 0.87 -1.18 0.00 0.00 179.01 179.35 3ip4 h LYS 110 N 0.94 0.61 -0.32 1.92 1.57 -0.98 -2.36 116.57 117.95 3ip4 h LYS 110 Ca 0.35 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3ip4 h LYS 110 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ip4 h LYS 110 CO -0.15 0.81 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.31 3ip4 h LEU 111 N 0.38 0.56 -0.72 2.94 3.38 -0.71 -1.75 115.31 119.38 3ip4 h LEU 111 Ca 0.08 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3ip4 h LEU 111 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3ip4 h LEU 111 CO 0.03 0.73 -0.48 0.45 0.09 0.00 0.00 178.44 179.27 3ip4 h HIS 112 N 0.52 0.47 -0.17 1.13 3.86 -1.07 -1.53 115.15 118.36 3ip4 h HIS 112 Ca 0.09 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 3ip4 h HIS 112 Cb 0.56 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3ip4 h HIS 112 CO 0.02 0.79 -0.24 -0.22 0.86 0.00 0.00 177.93 179.14 3ip4 h LYS 113 N 0.31 0.30 -0.21 2.45 3.64 -0.91 -1.07 116.57 121.09 3ip4 h LYS 113 Ca 0.02 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3ip4 h LYS 113 Cb 0.96 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3ip4 h LYS 113 CO 0.08 0.53 0.00 0.39 -2.27 0.00 0.00 179.45 178.18 3ip4 n GLU 114 N -4.16 1.59 -2.60 1.90 -0.58 -0.71 -4.73 120.64 111.36 3ip4 n GLU 114 Ca -0.01 -0.91 -0.18 0.00 -0.42 0.00 0.00 57.16 55.64 3ip4 n GLU 114 Cb 0.36 -1.28 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 3ip4 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ip4 n ASN 115 N 0.19 -5.32 -4.82 1.62 3.02 -0.40 -1.95 115.26 107.59 3ip4 n ASN 115 Ca 0.12 -0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 3ip4 n ASN 115 Cb 0.25 -4.29 0.07 0.00 -0.61 0.00 0.00 39.78 35.20 3ip4 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ip4 s ALA 116 N -2.98 2.45 -0.25 5.41 0.00 -0.61 -1.36 121.76 124.43 3ip4 s ALA 116 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 3ip4 s ALA 116 Cb -0.05 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3ip4 s ALA 116 CO 0.15 -1.51 -0.01 0.08 0.00 0.00 0.00 175.76 174.47 3ip4 s VAL 117 N -3.15 3.44 -0.28 0.00 1.01 0.77 -4.72 120.40 117.47 3ip4 s VAL 117 Ca 0.60 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3ip4 s VAL 117 Cb -0.14 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3ip4 s VAL 117 CO 0.54 0.28 1.52 -0.22 0.00 0.00 0.00 175.10 177.22 3ip4 s LEU 118 N 1.45 3.81 -0.10 3.92 2.96 -1.26 -0.82 118.68 128.64 3ip4 s LEU 118 Ca 0.04 1.36 -0.07 0.00 -0.22 0.00 0.00 54.13 55.24 3ip4 s LEU 118 Cb -0.16 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.73 3ip4 s LEU 118 CO -0.02 -1.28 0.44 0.40 -1.32 0.00 0.00 176.35 174.58 3ip4 h ILE 119 N 6.20 0.70 0.00 6.68 1.08 -1.54 -3.39 117.51 127.24 3ip4 h ILE 119 Ca -0.31 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.77 3ip4 h ILE 119 Cb 1.13 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.45 3ip4 h ILE 119 CO 1.02 0.89 0.00 0.61 -0.69 0.00 0.00 178.15 179.98 3ip4 n GLY 120 N 1.96 -1.92 3.94 5.37 0.00 -1.25 -1.01 105.19 112.27 3ip4 n GLY 120 Ca -0.30 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 3ip4 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip4 s LYS 121 N -1.78 3.46 0.02 1.61 -0.14 0.13 -1.80 119.74 121.25 3ip4 s LYS 121 Ca 0.00 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.15 3ip4 s LYS 121 Cb 0.00 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 3ip4 s LYS 121 CO 0.00 0.50 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.49 3ip4 s LEU 122 N -3.14 3.06 0.82 3.17 1.43 0.80 -0.49 118.68 124.33 3ip4 s LEU 122 Ca 0.36 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3ip4 s LEU 122 Cb -0.11 -1.77 0.09 0.00 0.03 0.00 0.00 46.19 44.42 3ip4 s LEU 122 CO 0.28 0.26 1.16 0.21 0.23 0.00 0.00 176.35 178.50 3ip4 s ASN 123 N -1.53 3.69 0.19 2.29 2.47 0.28 -1.59 114.94 120.74 3ip4 s ASN 123 Ca 0.17 2.20 -0.24 0.00 0.42 0.00 0.00 52.86 55.41 3ip4 s ASN 123 Cb -0.11 -2.57 0.05 0.00 -1.45 0.00 0.00 41.25 37.17 3ip4 s ASN 123 CO 0.08 -2.59 0.91 0.00 -3.72 0.00 0.00 177.10 171.77 3ip4 s MET 124 N -4.39 1.34 0.65 0.43 0.23 -1.26 -1.57 119.30 114.73 3ip4 s MET 124 Ca 0.69 -0.75 -0.16 0.00 -1.03 0.00 0.00 55.69 54.44 3ip4 s MET 124 Cb -0.24 0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 33.51 3ip4 s MET 124 CO 0.52 -0.62 1.15 -0.51 -2.03 0.00 0.00 175.02 173.54 3ip4 s ASP 125 N -2.95 4.96 0.13 -1.18 1.01 -0.97 -4.00 116.67 113.69 3ip4 s ASP 125 Ca 0.12 2.19 -0.31 0.00 0.71 0.00 0.00 52.55 55.25 3ip4 s ASP 125 Cb -0.02 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 3ip4 s ASP 125 CO 0.04 -1.73 1.83 1.21 0.21 0.00 0.00 175.17 176.72 3ip4 n GLU 126 N -2.19 2.80 -2.38 8.23 2.13 -1.26 -1.70 120.64 126.27 3ip4 n GLU 126 Ca 0.12 1.02 -0.12 0.00 0.66 0.00 0.00 57.16 58.84 3ip4 n GLU 126 Cb 0.51 -2.91 -0.01 0.00 0.27 0.00 0.00 31.44 29.30 3ip4 n GLU 126 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3ip4 n PHE 127 N 5.49 -1.37 -1.35 4.31 3.72 -0.11 -2.06 117.46 126.08 3ip4 n PHE 127 Ca 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.46 3ip4 n PHE 127 Cb 0.37 -2.70 -0.05 0.00 -0.94 0.00 0.00 39.48 36.16 3ip4 n PHE 127 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ip4 n ALA 128 N -2.09 -0.18 -3.27 4.37 0.00 -0.69 -4.83 120.51 113.81 3ip4 n ALA 128 Ca -0.14 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3ip4 n ALA 128 Cb 0.60 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3ip4 n ALA 128 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ip4 s MET 129 N -2.99 2.60 0.00 0.00 -1.94 -0.88 -4.63 119.30 111.47 3ip4 s MET 129 Ca 0.00 -1.44 0.00 0.00 -1.71 0.00 0.00 55.69 52.54 3ip4 s MET 129 Cb 0.00 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 33.08 3ip4 s MET 129 CO 0.00 -0.93 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 3ip4 n GLY 130 N 4.91 2.66 0.62 -0.03 0.00 -1.26 -4.46 105.19 107.63 3ip4 n GLY 130 Ca -0.10 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3ip4 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip4 n GLY 131 N -1.51 3.17 0.00 -0.02 0.00 -1.26 -2.34 105.19 103.23 3ip4 n GLY 131 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ip4 n GLY 131 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ip4 n SER 132 N -0.62 0.00 0.00 1.61 3.41 -1.23 -2.12 113.62 114.68 3ip4 n SER 132 Ca 0.11 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3ip4 n SER 132 Cb 0.78 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 3ip4 n SER 132 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ip4 n THR 133 N 0.00 0.00 0.32 6.66 -1.04 -1.17 -4.28 114.28 114.77 3ip4 n THR 133 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 3ip4 n THR 133 Cb 0.01 -0.11 0.55 0.00 -1.82 0.00 0.00 70.33 68.95 3ip4 n THR 133 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3ip4 h GLU 134 N 1.87 0.00 -0.00 -2.82 5.08 -1.89 -2.47 114.58 114.35 3ip4 h GLU 134 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ip4 h GLU 134 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ip4 h GLU 134 CO 0.00 0.00 -0.05 0.25 -1.00 0.00 0.00 179.01 178.21 3ip4 n THR 135 N -2.30 0.00 -1.63 1.13 -2.24 -1.26 -4.89 114.28 103.09 3ip4 n THR 135 Ca 0.01 -0.06 -0.46 0.00 -2.27 0.00 0.00 64.05 61.27 3ip4 n THR 135 Cb 0.17 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3ip4 n THR 135 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ip4 n SER 136 N -0.89 2.03 0.26 3.42 2.88 -0.93 -4.03 113.62 116.36 3ip4 n SER 136 Ca 0.18 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 59.02 3ip4 n SER 136 Cb 0.23 -1.34 0.54 0.00 -0.75 0.00 0.00 64.21 62.90 3ip4 n SER 136 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3ip4 h TYR 137 N 3.42 0.00 0.01 0.66 3.20 -1.50 -3.37 116.97 119.40 3ip4 h TYR 137 Ca -0.44 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.03 3ip4 h TYR 137 Cb 1.31 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 3ip4 h TYR 137 CO 0.54 0.02 -2.31 1.19 -1.64 0.00 0.00 178.16 175.96 3ip4 n PHE 138 N -3.12 0.27 -3.59 -3.82 3.72 -1.26 -4.99 117.46 104.67 3ip4 n PHE 138 Ca 0.01 0.09 -0.08 0.00 -0.05 0.00 0.00 57.45 57.42 3ip4 n PHE 138 Cb 0.37 -1.03 -0.02 0.00 -0.94 0.00 0.00 39.48 37.86 3ip4 n PHE 138 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 3ip4 s LYS 139 N -2.50 1.20 -0.36 -1.08 -2.85 -1.26 -5.13 119.74 107.76 3ip4 s LYS 139 Ca -0.35 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.97 54.00 3ip4 s LYS 139 Cb 0.11 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.41 3ip4 s LYS 139 CO 0.57 -0.54 0.16 0.15 0.10 0.00 0.00 175.35 175.80 3ip4 s LYS 140 N -3.48 2.67 0.50 1.78 1.02 -1.26 -4.55 119.74 116.42 3ip4 s LYS 140 Ca 0.06 -1.20 -0.22 0.00 0.02 0.00 0.00 55.97 54.63 3ip4 s LYS 140 Cb -0.02 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.63 3ip4 s LYS 140 CO -0.05 -0.73 1.21 0.99 -0.92 0.00 0.00 175.35 175.85 3ip4 s THR 141 N 1.45 2.84 0.24 2.17 2.01 -1.25 -4.82 115.64 118.27 3ip4 s THR 141 Ca 0.00 0.61 0.11 0.00 0.31 0.00 0.00 61.69 62.72 3ip4 s THR 141 Cb -0.20 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 3ip4 s THR 141 CO 0.04 -0.03 -0.16 0.68 -0.69 0.00 0.00 174.62 174.47 3ip4 s VAL 142 N -1.51 2.74 -0.14 3.82 -7.23 -0.60 -4.38 120.40 113.10 3ip4 s VAL 142 Ca 0.67 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 3ip4 s VAL 142 Cb -0.31 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 3ip4 s VAL 142 CO 0.37 -0.28 1.17 0.21 -0.31 0.00 0.00 175.10 176.25 3ip4 s ASN 143 N -3.23 7.04 0.55 4.85 3.84 -0.68 -4.66 114.94 122.66 3ip4 s ASN 143 Ca 0.27 1.64 0.24 0.00 0.21 0.00 0.00 52.86 55.22 3ip4 s ASN 143 Cb -0.07 -2.55 1.47 0.00 -0.55 0.00 0.00 41.25 39.56 3ip4 s ASN 143 CO 0.15 -0.66 2.09 -0.65 -2.79 0.00 0.00 177.10 175.24 3ip4 h PRO 144 N 7.71 0.00 0.00 0.43 0.11 -1.91 -1.31 132.00 137.02 3ip4 h PRO 144 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3ip4 h PRO 144 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ip4 h PRO 144 CO 0.93 0.00 -0.05 0.74 -0.21 0.00 0.00 178.00 179.42 3ip4 h PHE 145 N 0.00 0.00 -0.82 0.65 -1.00 -1.91 -3.43 116.94 110.43 3ip4 h PHE 145 Ca 0.11 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.99 3ip4 h PHE 145 Cb 0.48 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.83 3ip4 h PHE 145 CO 0.00 0.05 -0.23 0.34 -1.61 0.00 0.00 178.31 176.86 3ip4 s ASP 146 N -6.17 -1.25 0.00 2.17 -1.08 -0.52 -4.83 116.67 105.00 3ip4 s ASP 146 Ca 0.06 0.41 0.02 0.00 -0.52 0.00 0.00 52.55 52.52 3ip4 s ASP 146 Cb 0.06 1.90 0.08 0.00 -1.46 0.00 0.00 42.92 43.49 3ip4 s ASP 146 CO 0.66 -0.23 0.96 1.41 0.52 0.00 0.00 175.17 178.49 3ip4 n HIS 147 N 5.39 0.00 0.93 -5.34 8.25 -1.09 -0.56 115.22 122.80 3ip4 n HIS 147 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 3ip4 n HIS 147 Cb 0.53 -0.40 0.09 0.00 1.12 0.00 0.00 29.99 31.34 3ip4 n HIS 147 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ip4 n LYS 148 N -1.40 0.05 -3.90 -0.41 4.76 -1.26 -4.69 118.16 111.30 3ip4 n LYS 148 Ca 0.01 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.21 3ip4 n LYS 148 Cb 0.02 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3ip4 n LYS 148 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ip4 s ALA 149 N -3.03 3.93 0.54 7.82 0.00 0.27 -1.41 121.76 129.88 3ip4 s ALA 149 Ca 0.09 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 3ip4 s ALA 149 Cb 0.17 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.42 3ip4 s ALA 149 CO 0.77 0.37 0.98 0.14 0.00 0.00 0.00 175.76 178.02 3ip4 s VAL 150 N -1.89 4.61 -2.55 0.00 -7.23 -0.43 -1.69 120.40 111.22 3ip4 s VAL 150 Ca 0.35 1.05 0.27 0.00 -1.81 0.00 0.00 61.98 61.84 3ip4 s VAL 150 Cb -0.10 -3.77 0.51 0.00 0.56 0.00 0.00 36.38 33.58 3ip4 s VAL 150 CO 0.29 -0.81 1.69 -0.81 -0.31 0.00 0.00 175.10 175.14 3ip4 n PRO 151 N -1.91 1.74 0.00 4.82 -0.04 -1.26 -4.37 135.00 133.98 3ip4 n PRO 151 Ca 0.06 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 3ip4 n PRO 151 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3ip4 n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ip4 n GLY 152 N 1.19 -3.55 3.62 0.55 0.00 -1.26 -4.43 105.19 101.31 3ip4 n GLY 152 Ca 0.18 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 3ip4 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ip4 s GLY 153 N -0.42 -0.37 0.00 -0.02 0.00 -0.90 -3.01 107.32 102.59 3ip4 s GLY 153 Ca 0.00 0.37 0.28 0.00 0.00 0.00 0.00 44.72 45.37 3ip4 s GLY 153 CO 0.00 0.11 1.76 -1.14 0.00 0.00 0.00 173.10 173.84 3ip4 n SER 154 N -0.38 0.22 -1.97 1.64 3.41 -0.99 -4.30 113.62 111.24 3ip4 n SER 154 Ca -0.09 0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 3ip4 n SER 154 Cb 0.62 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3ip4 n SER 154 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ip4 n SER 155 N -1.42 6.22 -0.21 4.04 7.64 -0.80 -2.28 113.62 126.81 3ip4 n SER 155 Ca 0.08 -2.96 -0.03 0.00 1.01 0.00 0.00 58.87 56.97 3ip4 n SER 155 Cb 0.33 -1.13 0.08 0.00 -1.01 0.00 0.00 64.21 62.47 3ip4 n SER 155 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ip4 h GLY 156 N 3.07 0.88 1.12 0.23 0.00 -1.74 -2.25 103.07 104.38 3ip4 h GLY 156 Ca 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3ip4 h GLY 156 CO 0.64 0.15 0.31 -1.33 0.00 0.00 0.00 176.54 176.31 3ip4 h GLY 157 N 0.63 1.20 1.11 4.60 0.00 -1.54 -0.78 103.07 108.30 3ip4 h GLY 157 Ca 0.27 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3ip4 h GLY 157 CO -0.17 0.60 0.30 1.76 0.00 0.00 0.00 176.54 179.03 3ip4 h SER 158 N 1.10 1.04 -0.03 0.19 0.02 -1.60 -1.19 113.55 113.07 3ip4 h SER 158 Ca 0.26 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 3ip4 h SER 158 Cb 0.19 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ip4 h SER 158 CO -0.02 0.92 -0.43 0.00 -1.14 0.00 0.00 176.83 176.16 3ip4 h ALA 159 N 1.22 0.10 -0.40 3.77 0.00 -1.22 -3.25 119.26 119.48 3ip4 h ALA 159 Ca 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ip4 h ALA 159 Cb 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ip4 h ALA 159 CO -0.02 0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.66 3ip4 h ALA 160 N 0.36 0.52 -0.52 0.00 0.00 -1.07 -1.37 119.26 117.18 3ip4 h ALA 160 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ip4 h ALA 160 Cb 1.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ip4 h ALA 160 CO 0.09 0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.78 3ip4 h ALA 161 N 1.02 1.61 0.01 0.00 0.00 -1.35 0.23 119.26 120.78 3ip4 h ALA 161 Ca 0.14 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3ip4 h ALA 161 Cb 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ip4 h ALA 161 CO -0.01 0.35 -0.69 0.28 0.00 0.00 0.00 179.25 179.18 3ip4 h VAL 162 N 0.71 1.41 0.00 0.00 2.07 -1.55 0.07 116.25 118.95 3ip4 h VAL 162 Ca 0.19 -2.13 -0.07 0.00 0.82 0.00 0.00 66.70 65.51 3ip4 h VAL 162 Cb -0.07 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3ip4 h VAL 162 CO -0.04 0.63 -0.32 0.00 0.02 0.00 0.00 177.57 177.86 3ip4 h ALA 163 N 0.32 1.30 -0.07 1.67 0.00 -0.83 -2.74 119.26 118.92 3ip4 h ALA 163 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ip4 h ALA 163 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ip4 h ALA 163 CO 0.14 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3ip4 n ALA 164 N -2.40 2.57 -3.12 0.00 0.00 0.76 -4.83 120.51 113.49 3ip4 n ALA 164 Ca -0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 3ip4 n ALA 164 Cb 0.39 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3ip4 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ip4 n GLY 165 N 1.09 -0.00 0.13 0.00 0.00 -1.03 -4.95 105.19 100.42 3ip4 n GLY 165 Ca 0.18 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3ip4 n GLY 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ip4 n LEU 166 N -3.25 2.58 -3.92 0.99 4.77 0.00 -4.68 117.00 113.50 3ip4 n LEU 166 Ca -0.04 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3ip4 n LEU 166 Cb 0.55 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 3ip4 n LEU 166 CO 0.40 0.87 -0.21 0.68 -1.33 0.00 0.00 177.39 177.80 3ip4 s VAL 167 N -2.52 0.12 -0.90 4.08 -7.23 -1.20 -4.82 120.40 107.93 3ip4 s VAL 167 Ca -0.30 -0.99 0.28 0.00 -1.81 0.00 0.00 61.98 59.16 3ip4 s VAL 167 Cb 0.08 -0.75 0.23 0.00 0.56 0.00 0.00 36.38 36.50 3ip4 s VAL 167 CO 0.65 -0.54 1.81 -0.81 -0.31 0.00 0.00 175.10 175.90 3ip4 n PRO 168 N 0.97 0.10 -3.61 4.82 -0.04 -1.26 -4.38 135.00 131.60 3ip4 n PRO 168 Ca -0.20 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 3ip4 n PRO 168 Cb 0.58 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 3ip4 n PRO 168 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3ip4 s LEU 169 N -3.55 -0.09 0.05 1.53 0.05 -1.26 -4.38 118.68 111.03 3ip4 s LEU 169 Ca 0.12 0.48 -0.08 0.00 0.05 0.00 0.00 54.13 54.70 3ip4 s LEU 169 Cb 0.16 2.06 -0.00 0.00 -2.05 0.00 0.00 46.19 46.37 3ip4 s LEU 169 CO 0.57 -0.55 0.16 -0.94 -0.55 0.00 0.00 176.35 175.04 3ip4 s SER 170 N -1.25 0.10 -0.02 1.48 1.04 -0.83 -2.26 113.70 111.96 3ip4 s SER 170 Ca -0.12 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.84 3ip4 s SER 170 Cb -0.02 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 3ip4 s SER 170 CO 0.08 -0.57 -0.02 -0.76 0.98 0.00 0.00 173.24 172.95 3ip4 s LEU 171 N -2.24 3.44 0.00 2.42 1.43 -0.75 -1.25 118.68 121.73 3ip4 s LEU 171 Ca -0.03 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3ip4 s LEU 171 Cb 0.00 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3ip4 s LEU 171 CO -0.05 0.31 0.07 0.61 0.23 0.00 0.00 176.35 177.51 3ip4 n GLY 172 N 1.62 3.75 2.99 -3.19 0.00 -0.15 -1.80 105.19 108.41 3ip4 n GLY 172 Ca -0.16 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3ip4 n GLY 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ip4 s SER 173 N -1.88 0.49 -0.11 1.61 1.04 -1.26 -1.90 113.70 111.69 3ip4 s SER 173 Ca 0.09 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3ip4 s SER 173 Cb 0.00 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.19 3ip4 s SER 173 CO 0.07 -0.16 -0.05 -0.62 0.98 0.00 0.00 173.24 173.45 3ip4 s ASP 174 N -1.08 2.11 -0.09 7.02 -1.08 0.13 -3.53 116.67 120.16 3ip4 s ASP 174 Ca -0.09 -0.29 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 3ip4 s ASP 174 Cb -0.07 -0.74 -0.08 0.00 -1.46 0.00 0.00 42.92 40.57 3ip4 s ASP 174 CO -0.00 -0.15 -0.02 0.41 0.52 0.00 0.00 175.17 175.93 3ip4 n THR 175 N 4.99 0.55 -1.97 1.71 -1.04 -1.26 -2.18 114.28 115.08 3ip4 n THR 175 Ca -0.11 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 3ip4 n THR 175 Cb 0.50 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 3ip4 n THR 175 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ip4 n GLY 176 N 2.72 0.50 0.00 3.41 0.00 -1.26 -4.66 105.19 105.90 3ip4 n GLY 176 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3ip4 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip4 n GLY 177 N 0.00 1.06 0.03 -0.02 0.00 -1.26 -3.29 105.19 101.70 3ip4 n GLY 177 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ip4 n GLY 177 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ip4 n SER 178 N 0.00 0.09 -0.09 1.61 7.64 -1.26 -0.57 113.62 121.04 3ip4 n SER 178 Ca 0.00 0.54 -0.19 0.00 1.01 0.00 0.00 58.87 60.23 3ip4 n SER 178 Cb 0.00 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 3ip4 n SER 178 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3ip4 n ILE 179 N -1.62 1.02 -0.13 0.44 5.41 -1.23 -1.90 119.36 121.35 3ip4 n ILE 179 Ca -0.00 -0.28 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 3ip4 n ILE 179 Cb 0.01 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.26 3ip4 n ILE 179 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3ip4 h ARG 180 N -0.57 0.67 -0.23 0.38 3.08 -1.77 -2.35 114.38 113.59 3ip4 h ARG 180 Ca -0.46 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.36 3ip4 h ARG 180 Cb 1.44 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3ip4 h ARG 180 CO -0.25 0.78 0.12 0.37 -1.07 0.00 0.00 179.97 179.91 3ip4 h GLN 181 N 0.49 0.32 0.00 0.04 -0.00 -1.13 0.53 115.11 115.36 3ip4 h GLN 181 Ca 0.11 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.64 3ip4 h GLN 181 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 3ip4 h GLN 181 CO 0.02 0.31 -0.36 -1.00 0.00 0.00 0.00 178.83 177.80 3ip4 h PRO 182 N 0.25 0.00 -0.54 -2.39 0.13 -1.75 0.36 132.00 128.06 3ip4 h PRO 182 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 3ip4 h PRO 182 Cb 0.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 3ip4 h PRO 182 CO -0.01 0.36 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 3ip4 h ALA 183 N 1.64 0.73 -0.09 -0.56 0.00 -0.97 0.04 119.26 120.05 3ip4 h ALA 183 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ip4 h ALA 183 Cb 0.76 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ip4 h ALA 183 CO 0.05 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.89 3ip4 h ALA 184 N 0.96 0.11 -0.87 0.00 0.00 -0.40 0.42 119.26 119.48 3ip4 h ALA 184 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ip4 h ALA 184 Cb 0.53 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3ip4 h ALA 184 CO 0.03 -0.31 0.47 1.88 0.00 0.00 0.00 179.25 181.32 3ip4 h TYR 185 N -0.00 1.20 -0.50 0.00 -1.99 -0.71 -2.78 116.97 112.19 3ip4 h TYR 185 Ca 0.03 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ip4 h TYR 185 Cb 0.15 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 38.50 3ip4 h TYR 185 CO -0.02 0.83 0.00 0.00 -0.00 0.00 0.00 178.16 178.97 3ip4 n GLY 187 N 1.23 -0.53 3.70 0.00 0.00 -0.33 -4.78 105.19 104.48 3ip4 n GLY 187 Ca 0.17 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 3ip4 n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ip4 s VAL 188 N -3.20 1.02 -0.24 1.61 -7.23 -0.01 -4.71 120.40 107.65 3ip4 s VAL 188 Ca 0.34 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 3ip4 s VAL 188 Cb -0.15 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3ip4 s VAL 188 CO 0.42 0.00 0.37 -0.69 -0.31 0.00 0.00 175.10 174.89 3ip4 s VAL 189 N -2.95 5.19 -0.06 1.32 1.01 -0.02 -4.35 120.40 120.55 3ip4 s VAL 189 Ca 0.10 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.69 3ip4 s VAL 189 Cb 0.02 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.72 3ip4 s VAL 189 CO 0.06 0.21 -0.06 -0.83 0.00 0.00 0.00 175.10 174.48 3ip4 s GLY 190 N 1.35 0.56 -0.10 4.51 0.00 -0.73 -0.94 107.32 111.98 3ip4 s GLY 190 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.72 3ip4 s GLY 190 CO 0.09 0.52 -0.21 -0.29 0.00 0.00 0.00 173.10 173.21 3ip4 s MET 191 N 1.10 3.06 -0.37 2.90 1.75 -0.83 -0.77 119.30 126.14 3ip4 s MET 191 Ca -0.08 -0.82 -0.07 0.00 -1.25 0.00 0.00 55.69 53.47 3ip4 s MET 191 Cb -0.14 -2.38 0.06 0.00 2.84 0.00 0.00 34.83 35.21 3ip4 s MET 191 CO -0.01 0.23 0.16 0.21 -0.65 0.00 0.00 175.02 174.97 3ip4 s LYS 192 N 0.24 2.55 1.17 4.11 2.20 -0.09 -3.49 119.74 126.44 3ip4 s LYS 192 Ca -0.14 -1.34 -0.18 0.00 -0.36 0.00 0.00 55.97 53.96 3ip4 s LYS 192 Cb -0.17 -3.58 0.27 0.00 -1.51 0.00 0.00 37.83 32.85 3ip4 s LYS 192 CO 0.07 -0.80 1.10 -1.25 -0.36 0.00 0.00 175.35 174.11 3ip4 s PRO 193 N 1.38 -1.00 0.37 4.03 0.04 -1.26 -1.10 135.00 137.47 3ip4 s PRO 193 Ca 0.01 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.81 3ip4 s PRO 193 Cb -0.21 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 3ip4 s PRO 193 CO 0.02 -3.58 1.22 2.41 0.04 0.00 0.00 177.00 177.11 3ip4 n THR 194 N -4.69 2.24 -1.70 1.26 -1.04 -1.26 -4.43 114.28 104.66 3ip4 n THR 194 Ca 0.12 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 3ip4 n THR 194 Cb 0.59 -1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 3ip4 n THR 194 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3ip4 s TYR 195 N -1.15 1.46 0.00 -1.42 5.04 -0.61 -0.70 117.35 119.97 3ip4 s TYR 195 Ca 0.59 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 3ip4 s TYR 195 Cb -0.56 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 37.54 3ip4 s TYR 195 CO 0.60 -5.35 0.00 0.41 -1.34 0.00 0.00 175.55 169.87 3ip4 n GLY 196 N 4.47 0.64 0.12 8.97 0.00 -1.26 -4.87 105.19 113.26 3ip4 n GLY 196 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 3ip4 n GLY 196 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ip4 h ARG 197 N 2.49 0.08 -5.10 1.61 9.65 -1.23 0.35 114.38 122.23 3ip4 h ARG 197 Ca 0.00 -0.07 -0.56 0.00 -1.10 0.00 0.00 59.98 58.25 3ip4 h ARG 197 Cb 0.00 0.02 -0.32 0.00 -1.39 0.00 0.00 29.97 28.28 3ip4 h ARG 197 CO 0.00 0.79 -0.83 0.08 2.80 0.00 0.00 179.97 182.80 3ip4 s VAL 198 N -3.37 1.39 0.42 0.20 1.01 -1.26 -1.90 120.40 116.88 3ip4 s VAL 198 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 3ip4 s VAL 198 Cb 0.11 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 3ip4 s VAL 198 CO 0.79 0.41 1.22 -0.24 0.00 0.00 0.00 175.10 177.27 3ip4 n SER 199 N 3.34 2.28 -0.93 3.32 2.88 -1.26 -4.73 113.62 118.52 3ip4 n SER 199 Ca -0.19 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.54 3ip4 n SER 199 Cb 0.53 -1.47 0.15 0.00 -0.75 0.00 0.00 64.21 62.67 3ip4 n SER 199 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ip4 n ARG 200 N 0.06 2.13 -2.17 -1.46 1.74 -1.26 -4.76 116.66 110.94 3ip4 n ARG 200 Ca 0.07 -1.97 -0.43 0.00 -0.77 0.00 0.00 57.85 54.75 3ip4 n ARG 200 Cb 0.39 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3ip4 n ARG 200 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ip4 s PHE 201 N -1.48 2.23 0.00 -1.55 5.36 -1.26 -1.64 117.98 119.64 3ip4 s PHE 201 Ca 0.30 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3ip4 s PHE 201 Cb 0.19 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 3ip4 s PHE 201 CO 0.27 -2.74 0.00 0.41 -1.46 0.00 0.00 175.22 171.70 3ip4 n GLY 202 N 4.49 0.69 3.53 13.12 0.00 -1.26 -1.55 105.19 124.21 3ip4 n GLY 202 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3ip4 n GLY 202 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ip4 s LEU 203 N 0.00 4.44 -0.15 0.99 2.96 -0.65 -0.07 118.68 126.20 3ip4 s LEU 203 Ca 0.00 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 3ip4 s LEU 203 Cb 0.00 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3ip4 s LEU 203 CO 0.00 -0.21 1.99 -0.69 -1.32 0.00 0.00 176.35 176.12 3ip4 s VAL 204 N 1.72 3.19 0.36 1.68 1.01 0.80 -4.87 120.40 124.28 3ip4 s VAL 204 Ca 0.06 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 3ip4 s VAL 204 Cb -0.17 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 3ip4 s VAL 204 CO 0.10 -0.09 1.43 0.00 0.00 0.00 0.00 175.10 176.54 3ip4 s ALA 205 N 6.40 3.55 0.00 5.51 0.00 -1.26 -4.96 121.76 131.00 3ip4 s ALA 205 Ca 0.89 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.32 3ip4 s ALA 205 Cb -0.34 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3ip4 s ALA 205 CO 0.36 -0.92 0.00 0.34 0.00 0.00 0.00 175.76 175.54 3ip4 n PHE 206 N 0.61 0.00 -3.90 0.00 -0.00 -1.26 -4.73 117.46 108.18 3ip4 n PHE 206 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 3ip4 n PHE 206 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.73 3ip4 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ip4 s ALA 207 N -2.40 2.21 0.44 3.13 0.00 -1.26 -3.12 121.76 120.76 3ip4 s ALA 207 Ca 0.00 -1.97 0.20 0.00 0.00 0.00 0.00 51.96 50.19 3ip4 s ALA 207 Cb 0.00 -1.73 1.15 0.00 0.00 0.00 0.00 23.12 22.55 3ip4 s ALA 207 CO 0.00 -1.57 1.86 0.77 0.00 0.00 0.00 175.76 176.82 3ip4 h SER 208 N 7.85 0.33 0.09 0.00 0.02 -1.93 0.16 113.55 120.07 3ip4 h SER 208 Ca -0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3ip4 h SER 208 Cb 1.03 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3ip4 h SER 208 CO 0.48 0.13 -0.07 -1.54 -1.14 0.00 0.00 176.83 174.69 3ip4 n SER 209 N -4.47 1.12 0.00 3.07 3.41 -1.26 -4.30 113.62 111.18 3ip4 n SER 209 Ca 0.19 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3ip4 n SER 209 Cb 0.74 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3ip4 n SER 209 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ip4 n LEU 210 N -0.26 0.67 -4.69 1.04 4.77 -0.25 -4.95 117.00 113.32 3ip4 n LEU 210 Ca 0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.78 3ip4 n LEU 210 Cb 0.32 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3ip4 n LEU 210 CO 0.20 0.11 0.80 0.47 -1.33 0.00 0.00 177.39 177.63 3ip4 n ASP 211 N -1.99 1.79 -3.64 -1.43 8.00 0.39 -4.46 116.55 115.21 3ip4 n ASP 211 Ca 0.00 0.87 -0.07 0.00 0.71 0.00 0.00 54.79 56.30 3ip4 n ASP 211 Cb 0.45 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.98 3ip4 n ASP 211 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3ip4 s GLN 212 N -2.97 0.53 0.29 -1.24 2.00 -0.92 -4.91 119.66 112.44 3ip4 s GLN 212 Ca 0.76 0.77 -0.19 0.00 -2.00 0.00 0.00 55.36 54.70 3ip4 s GLN 212 Cb -0.41 0.18 -0.09 0.00 0.80 0.00 0.00 33.01 33.49 3ip4 s GLN 212 CO 0.46 -0.09 0.79 0.42 -0.50 0.00 0.00 175.29 176.37 3ip4 s ILE 213 N 0.88 4.52 0.19 -2.34 1.01 -1.26 -0.70 121.20 123.50 3ip4 s ILE 213 Ca -0.04 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 3ip4 s ILE 213 Cb -0.05 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.69 3ip4 s ILE 213 CO -0.11 0.01 0.54 -0.83 0.00 0.00 0.00 174.94 174.55 3ip4 s GLY 214 N -1.90 -0.23 0.21 6.18 0.00 -0.80 -4.42 107.32 106.36 3ip4 s GLY 214 Ca 0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 3ip4 s GLY 214 CO 0.19 -0.16 0.46 2.56 0.00 0.00 0.00 173.10 176.16 3ip4 s PRO 215 N -3.84 3.66 -0.05 2.90 0.04 -1.23 -0.97 135.00 135.51 3ip4 s PRO 215 Ca 0.07 -0.00 0.03 0.00 0.04 0.00 0.00 61.00 61.14 3ip4 s PRO 215 Cb -0.01 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3ip4 s PRO 215 CO -0.05 0.36 -0.15 -0.51 0.04 0.00 0.00 177.00 176.69 3ip4 s LEU 216 N -2.99 1.84 0.32 -3.56 1.02 -0.38 -1.97 118.68 112.96 3ip4 s LEU 216 Ca 0.43 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 3ip4 s LEU 216 Cb -0.11 -0.87 -0.00 0.00 0.02 0.00 0.00 46.19 45.22 3ip4 s LEU 216 CO 0.26 0.11 0.43 0.42 0.02 0.00 0.00 176.35 177.59 3ip4 s THR 217 N 0.21 0.00 -1.58 5.49 -4.23 -0.11 -1.96 115.64 113.45 3ip4 s THR 217 Ca -0.06 -1.64 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 3ip4 s THR 217 Cb -0.12 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.36 3ip4 s THR 217 CO 0.02 0.00 1.52 0.54 -0.54 0.00 0.00 174.62 176.16 3ip4 n ARG 218 N -0.52 0.65 -3.83 3.99 1.74 -1.26 -0.84 116.66 116.59 3ip4 n ARG 218 Ca 0.01 -0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 56.61 3ip4 n ARG 218 Cb 0.62 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 3ip4 n ARG 218 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ip4 s ASN 219 N -2.62 -0.11 0.09 0.55 2.20 -1.26 -4.73 114.94 109.05 3ip4 s ASN 219 Ca 0.21 -0.63 -0.20 0.00 -0.94 0.00 0.00 52.86 51.30 3ip4 s ASN 219 Cb 0.19 0.50 -0.09 0.00 -2.00 0.00 0.00 41.25 39.85 3ip4 s ASN 219 CO 0.56 -0.95 1.59 0.58 -2.94 0.00 0.00 177.10 175.94 3ip4 h VAL 220 N 2.39 1.20 -0.81 3.54 2.07 -1.94 -2.84 116.25 119.86 3ip4 h VAL 220 Ca -0.31 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3ip4 h VAL 220 Cb 1.24 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3ip4 h VAL 220 CO 0.44 0.20 0.34 0.50 0.02 0.00 0.00 177.57 179.06 3ip4 h LYS 221 N 0.16 1.20 -0.78 1.57 3.64 -1.98 -1.33 116.57 119.05 3ip4 h LYS 221 Ca 0.07 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3ip4 h LYS 221 Cb 0.25 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3ip4 h LYS 221 CO -0.00 0.96 0.49 -0.44 -2.27 0.00 0.00 179.45 178.18 3ip4 h ASP 222 N 1.17 0.92 -0.43 4.20 5.19 -1.99 -1.46 116.42 124.02 3ip4 h ASP 222 Ca 0.27 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 3ip4 h ASP 222 Cb 0.19 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3ip4 h ASP 222 CO -0.03 0.70 0.21 -1.13 -3.12 0.00 0.00 179.24 175.87 3ip4 h ASN 223 N 1.07 0.55 -0.49 6.45 -0.73 -1.01 -1.91 115.58 119.51 3ip4 h ASN 223 Ca 0.28 -0.12 -0.09 0.00 1.87 0.00 0.00 56.30 58.24 3ip4 h ASN 223 Cb -0.07 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 3ip4 h ASN 223 CO -0.06 0.51 -0.04 0.00 -0.37 0.00 0.00 177.43 177.47 3ip4 h ALA 224 N 1.06 0.92 -0.71 1.57 0.00 -1.03 -1.46 119.26 119.60 3ip4 h ALA 224 Ca 0.15 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ip4 h ALA 224 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3ip4 h ALA 224 CO -0.02 0.64 0.45 0.82 0.00 0.00 0.00 179.25 181.14 3ip4 h ILE 225 N 0.86 1.13 -0.28 0.00 2.04 -0.99 -1.19 117.51 119.08 3ip4 h ILE 225 Ca 0.15 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 3ip4 h ILE 225 Cb 0.57 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3ip4 h ILE 225 CO 0.03 0.16 -0.48 0.58 0.00 0.00 0.00 178.15 178.45 3ip4 h VAL 226 N 0.90 1.29 -0.54 1.67 2.07 -1.09 -2.94 116.25 117.61 3ip4 h VAL 226 Ca 0.28 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 3ip4 h VAL 226 Cb -0.03 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ip4 h VAL 226 CO -0.09 0.54 0.19 0.25 0.02 0.00 0.00 177.57 178.48 3ip4 h LEU 227 N 0.60 0.73 -0.93 2.57 5.85 -0.88 -1.72 115.31 121.54 3ip4 h LEU 227 Ca 0.03 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3ip4 h LEU 227 Cb 1.05 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3ip4 h LEU 227 CO 0.10 0.68 0.59 -0.33 -0.34 0.00 0.00 178.44 179.15 3ip4 h GLU 228 N 0.78 1.08 -0.04 1.25 5.08 -1.06 -1.63 114.58 120.04 3ip4 h GLU 228 Ca 0.18 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3ip4 h GLU 228 Cb 0.20 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ip4 h GLU 228 CO -0.01 0.71 -0.57 0.00 -1.00 0.00 0.00 179.01 178.14 3ip4 h ALA 229 N 1.41 0.97 0.00 3.43 0.00 -1.21 -3.33 119.26 120.54 3ip4 h ALA 229 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ip4 h ALA 229 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ip4 h ALA 229 CO -0.15 0.71 -1.43 0.44 0.00 0.00 0.00 179.25 178.82 3ip4 n ILE 230 N -3.88 0.01 -1.82 0.00 -5.35 -1.00 -4.59 119.36 102.73 3ip4 n ILE 230 Ca -0.02 -0.23 -0.30 0.00 -0.27 0.00 0.00 62.75 61.93 3ip4 n ILE 230 Cb 0.59 0.52 0.05 0.00 -1.74 0.00 0.00 39.64 39.06 3ip4 n ILE 230 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ip4 s SER 231 N -3.71 5.39 0.00 7.28 0.01 -0.63 -4.51 113.70 117.52 3ip4 s SER 231 Ca 0.01 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.48 3ip4 s SER 231 Cb 0.15 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.35 3ip4 s SER 231 CO 0.88 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 173.75 3ip4 n GLY 232 N -2.80 3.87 3.73 3.44 0.00 -0.80 -5.00 105.19 107.63 3ip4 n GLY 232 Ca 0.07 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3ip4 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip4 s ALA 233 N -2.10 2.30 -0.10 4.61 0.00 -1.24 -4.34 121.76 120.89 3ip4 s ALA 233 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 3ip4 s ALA 233 Cb 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.64 3ip4 s ALA 233 CO 0.00 -1.67 0.19 0.34 0.00 0.00 0.00 175.76 174.62 3ip4 s ASP 234 N -1.57 0.50 0.58 0.00 2.15 -1.26 -5.02 116.67 112.05 3ip4 s ASP 234 Ca 0.80 0.42 0.39 0.00 0.43 0.00 0.00 52.55 54.59 3ip4 s ASP 234 Cb -0.35 0.40 2.10 0.00 -0.30 0.00 0.00 42.92 44.77 3ip4 s ASP 234 CO 0.41 -0.23 2.19 -0.37 -0.17 0.00 0.00 175.17 177.00 3ip4 h VAL 235 N 6.29 0.00 -0.01 1.11 -1.51 -1.98 -1.04 116.25 119.12 3ip4 h VAL 235 Ca -0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3ip4 h VAL 235 Cb 1.12 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3ip4 h VAL 235 CO 0.18 0.00 -0.07 0.59 -1.23 0.00 0.00 177.57 177.04 3ip4 n ASN 236 N -2.88 0.86 -3.63 4.19 3.02 -1.26 -4.63 115.26 110.94 3ip4 n ASN 236 Ca -0.02 -1.04 -0.28 0.00 -0.03 0.00 0.00 54.58 53.20 3ip4 n ASN 236 Cb 0.07 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.08 3ip4 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ip4 s ASP 237 N -2.22 3.09 0.35 6.41 2.15 -0.39 -4.75 116.67 121.30 3ip4 s ASP 237 Ca 0.35 -1.02 0.26 0.00 0.43 0.00 0.00 52.55 52.56 3ip4 s ASP 237 Cb 0.21 -0.43 1.21 0.00 -0.30 0.00 0.00 42.92 43.61 3ip4 s ASP 237 CO 0.41 -0.38 1.78 0.28 -0.17 0.00 0.00 175.17 177.09 3ip4 h SER 238 N 8.34 0.00 0.07 -0.34 0.02 -1.82 -1.99 113.55 117.83 3ip4 h SER 238 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3ip4 h SER 238 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3ip4 h SER 238 CO 0.38 0.00 -0.21 0.35 -1.14 0.00 0.00 176.83 176.21 3ip4 n THR 239 N -2.41 0.00 -2.26 -2.27 -2.24 -1.26 -4.90 114.28 98.95 3ip4 n THR 239 Ca 0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3ip4 n THR 239 Cb 0.16 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 3ip4 n THR 239 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ip4 s SER 240 N -2.29 6.94 0.22 3.42 1.04 -0.75 -4.37 113.70 117.92 3ip4 s SER 240 Ca 0.27 2.30 -0.30 0.00 0.48 0.00 0.00 55.95 58.70 3ip4 s SER 240 Cb 0.19 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.63 3ip4 s SER 240 CO 0.45 -0.52 1.11 0.00 0.98 0.00 0.00 173.24 175.26 3ip4 s ALA 241 N 0.42 3.40 -1.56 5.32 0.00 0.12 -4.72 121.76 124.73 3ip4 s ALA 241 Ca 0.58 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 3ip4 s ALA 241 Cb -0.35 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 3ip4 s ALA 241 CO 0.35 -0.20 2.77 -0.35 0.00 0.00 0.00 175.76 178.32 3ip4 n PRO 242 N 1.86 3.44 -4.04 0.00 -0.04 -1.26 -3.65 135.00 131.32 3ip4 n PRO 242 Ca 0.01 -2.26 -0.32 0.00 -0.04 0.00 0.00 63.50 60.90 3ip4 n PRO 242 Cb 0.45 -2.90 -0.15 0.00 -0.04 0.00 0.00 33.50 30.87 3ip4 n PRO 242 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ip4 s VAL 243 N 2.47 2.26 -0.19 0.52 1.01 -1.26 -4.99 120.40 120.22 3ip4 s VAL 243 Ca 0.64 -2.00 0.17 0.00 0.00 0.00 0.00 61.98 60.79 3ip4 s VAL 243 Cb 0.17 -2.52 0.13 0.00 0.00 0.00 0.00 36.38 34.17 3ip4 s VAL 243 CO -0.06 -0.33 1.51 0.44 0.00 0.00 0.00 175.10 176.65 3ip4 h ASP 244 N 7.70 0.00 -2.66 3.32 3.32 -2.01 -3.40 116.42 122.68 3ip4 h ASP 244 Ca -0.11 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.39 3ip4 h ASP 244 Cb 1.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 3ip4 h ASP 244 CO 0.50 0.38 1.20 -0.62 -1.72 0.00 0.00 179.24 178.97 3ip4 s ASP 245 N -6.39 5.90 -0.26 6.45 -1.08 -1.26 -4.83 116.67 115.21 3ip4 s ASP 245 Ca 0.04 0.64 0.10 0.00 -0.52 0.00 0.00 52.55 52.81 3ip4 s ASP 245 Cb 0.07 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.45 3ip4 s ASP 245 CO 0.72 -1.82 1.19 1.33 0.52 0.00 0.00 175.17 177.11 3ip4 n VAL 246 N 7.12 2.27 -2.99 1.11 0.24 -1.26 -4.98 118.33 119.85 3ip4 n VAL 246 Ca 0.18 -3.75 -0.43 0.00 -2.04 0.00 0.00 64.34 58.29 3ip4 n VAL 246 Cb 0.49 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 32.16 3ip4 n VAL 246 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ip4 s ASP 247 N -3.46 6.31 0.00 -1.34 2.15 -1.26 -4.43 116.67 114.64 3ip4 s ASP 247 Ca 0.45 -0.52 0.11 0.00 0.43 0.00 0.00 52.55 53.03 3ip4 s ASP 247 Cb 0.39 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 40.59 3ip4 s ASP 247 CO -0.00 -1.04 0.60 0.49 -0.17 0.00 0.00 175.17 175.04 3ip4 n PHE 248 N 6.83 0.00 0.95 -5.34 3.72 -1.26 -4.56 117.46 117.80 3ip4 n PHE 248 Ca -0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 3ip4 n PHE 248 Cb 0.47 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 3ip4 n PHE 248 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ip4 n THR 249 N -0.69 0.01 0.18 4.37 -2.24 -1.26 -4.51 114.28 110.13 3ip4 n THR 249 Ca 0.04 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3ip4 n THR 249 Cb 0.21 0.82 0.62 0.00 -2.10 0.00 0.00 70.33 69.88 3ip4 n THR 249 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ip4 h SER 250 N 0.00 0.06 0.34 3.42 4.64 -1.96 -2.43 113.55 117.62 3ip4 h SER 250 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ip4 h SER 250 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ip4 h SER 250 CO 0.00 0.04 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.60 3ip4 n GLU 251 N -4.50 0.07 -1.97 4.77 -0.58 -1.26 -4.92 120.64 112.25 3ip4 n GLU 251 Ca 0.00 -0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3ip4 n GLU 251 Cb 0.18 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 3ip4 n GLU 251 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3ip4 s ILE 252 N -3.05 3.36 0.00 -3.67 1.01 -0.92 -2.14 121.20 115.79 3ip4 s ILE 252 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3ip4 s ILE 252 Cb 0.16 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3ip4 s ILE 252 CO 0.78 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.30 3ip4 n GLY 253 N 4.06 2.05 3.80 6.18 0.00 -1.26 -5.09 105.19 114.93 3ip4 n GLY 253 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3ip4 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip4 s LYS 254 N -0.19 3.71 1.00 1.61 1.02 -0.91 -5.03 119.74 120.95 3ip4 s LYS 254 Ca 0.00 1.36 -0.15 0.00 0.02 0.00 0.00 55.97 57.20 3ip4 s LYS 254 Cb 0.00 -2.08 0.19 0.00 -0.52 0.00 0.00 37.83 35.42 3ip4 s LYS 254 CO 0.00 -0.51 1.19 0.16 -0.92 0.00 0.00 175.35 175.27 3ip4 s ASP 255 N -2.06 2.76 -0.20 2.83 1.47 -1.26 -4.85 116.67 115.36 3ip4 s ASP 255 Ca 0.67 0.66 0.12 0.00 1.18 0.00 0.00 52.55 55.18 3ip4 s ASP 255 Cb -0.17 -0.98 0.43 0.00 -0.34 0.00 0.00 42.92 41.86 3ip4 s ASP 255 CO 0.22 -2.98 1.21 2.30 0.68 0.00 0.00 175.17 176.60 3ip4 n ILE 256 N -4.00 2.02 -2.02 2.11 -5.35 -1.26 -5.00 119.36 105.85 3ip4 n ILE 256 Ca 0.11 -3.12 -0.42 0.00 -0.27 0.00 0.00 62.75 59.05 3ip4 n ILE 256 Cb 0.59 -0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 3ip4 n ILE 256 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ip4 s LYS 257 N -2.97 4.21 0.00 6.28 1.02 -1.26 -1.61 119.74 125.41 3ip4 s LYS 257 Ca 0.39 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.57 3ip4 s LYS 257 Cb 0.37 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3ip4 s LYS 257 CO -0.07 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.04 3ip4 n GLY 258 N 3.96 1.37 3.74 -3.33 0.00 -0.36 -4.94 105.19 105.62 3ip4 n GLY 258 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ip4 n GLY 258 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ip4 s LEU 259 N 0.00 4.36 -0.45 0.99 2.96 -0.63 -4.67 118.68 121.23 3ip4 s LEU 259 Ca 0.00 2.87 -0.18 0.00 -0.22 0.00 0.00 54.13 56.60 3ip4 s LEU 259 Cb 0.00 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.11 3ip4 s LEU 259 CO 0.00 -0.92 0.52 -0.54 -1.32 0.00 0.00 176.35 174.10 3ip4 s LYS 260 N 0.28 3.12 -0.21 1.98 1.02 -1.26 -0.35 119.74 124.33 3ip4 s LYS 260 Ca 0.68 -0.77 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 3ip4 s LYS 260 Cb -0.48 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 32.78 3ip4 s LYS 260 CO 0.40 -1.00 0.06 0.08 -0.92 0.00 0.00 175.35 173.98 3ip4 s VAL 261 N 2.35 4.61 -0.20 3.17 1.01 1.00 -0.64 120.40 131.71 3ip4 s VAL 261 Ca 0.14 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3ip4 s VAL 261 Cb -0.18 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3ip4 s VAL 261 CO 0.14 0.41 0.20 0.00 0.00 0.00 0.00 175.10 175.85 3ip4 s ALA 262 N 0.82 3.64 -0.38 5.51 0.00 0.17 -1.58 121.76 129.95 3ip4 s ALA 262 Ca 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3ip4 s ALA 262 Cb -0.14 -2.29 0.09 0.00 0.00 0.00 0.00 23.12 20.79 3ip4 s ALA 262 CO 0.02 0.04 0.14 -1.17 0.00 0.00 0.00 175.76 174.79 3ip4 s LEU 263 N 0.60 4.89 0.15 0.00 2.96 -0.30 -0.91 118.68 126.07 3ip4 s LEU 263 Ca 0.11 -1.85 -0.31 0.00 -0.22 0.00 0.00 54.13 51.86 3ip4 s LEU 263 Cb -0.12 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 3ip4 s LEU 263 CO 0.02 -0.46 1.41 -2.84 -1.32 0.00 0.00 176.35 173.15 3ip4 s PRO 264 N 1.15 4.31 0.42 0.98 0.02 -1.26 -1.39 135.00 139.24 3ip4 s PRO 264 Ca 0.05 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.29 3ip4 s PRO 264 Cb -0.22 -3.21 0.92 0.00 0.02 0.00 0.00 34.50 32.01 3ip4 s PRO 264 CO -0.04 -0.43 2.06 1.57 -0.33 0.00 0.00 177.00 179.83 3ip4 h LYS 265 N 6.43 0.47 0.00 5.54 2.10 -1.47 -0.93 116.57 128.72 3ip4 h LYS 265 Ca -0.43 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3ip4 h LYS 265 Cb 1.21 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3ip4 h LYS 265 CO 0.85 0.31 0.00 0.93 -2.00 0.00 0.00 179.45 179.54 3ip4 h GLU 266 N 0.48 0.00 -0.00 0.07 3.07 -1.89 -2.45 114.58 113.87 3ip4 h GLU 266 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3ip4 h GLU 266 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3ip4 h GLU 266 CO -0.03 0.00 -0.05 0.66 -1.40 0.00 0.00 179.01 178.19 3ip4 n TYR 267 N -2.70 0.00 -2.02 4.33 4.02 -0.35 -2.90 117.16 117.54 3ip4 n TYR 267 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.93 3ip4 n TYR 267 Cb 0.22 -0.23 0.12 0.00 -0.02 0.00 0.00 39.34 39.43 3ip4 n TYR 267 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3ip4 n LEU 268 N -1.15 2.15 0.00 7.72 4.77 -0.93 -4.38 117.00 125.18 3ip4 n LEU 268 Ca 0.15 -3.20 -0.03 0.00 -0.03 0.00 0.00 56.01 52.90 3ip4 n LEU 268 Cb 0.25 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3ip4 n LEU 268 CO 0.23 1.09 0.08 0.61 -1.33 0.00 0.00 177.39 178.07 3ip4 n GLY 269 N -0.46 -1.50 0.37 -0.72 0.00 -1.14 -4.88 105.19 96.86 3ip4 n GLY 269 Ca 0.15 -1.62 0.20 0.00 0.00 0.00 0.00 46.02 44.75 3ip4 n GLY 269 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ip4 h GLU 270 N 0.00 0.49 0.00 1.61 4.81 -1.93 -2.03 114.58 117.53 3ip4 h GLU 270 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ip4 h GLU 270 Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ip4 h GLU 270 CO 0.03 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 3ip4 n GLY 271 N -1.39 -1.27 3.70 1.92 0.00 -1.26 -4.79 105.19 102.10 3ip4 n GLY 271 Ca 0.26 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ip4 n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ip4 s VAL 272 N -2.72 4.99 0.65 1.61 1.01 -0.77 -4.82 120.40 120.36 3ip4 s VAL 272 Ca 0.22 1.52 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 3ip4 s VAL 272 Cb 0.18 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3ip4 s VAL 272 CO 0.44 0.19 1.17 0.00 0.00 0.00 0.00 175.10 176.90 3ip4 s ALA 273 N 1.18 2.41 0.23 5.51 0.00 -0.04 -4.81 121.76 126.24 3ip4 s ALA 273 Ca 0.38 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 3ip4 s ALA 273 Cb -0.18 -3.41 0.31 0.00 0.00 0.00 0.00 23.12 19.84 3ip4 s ALA 273 CO 0.17 -1.38 1.84 -0.44 0.00 0.00 0.00 175.76 175.96 3ip4 h ASP 274 N 0.32 0.78 -0.18 0.00 3.32 -1.96 -0.39 116.42 118.31 3ip4 h ASP 274 Ca -0.49 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 3ip4 h ASP 274 Cb 1.28 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3ip4 h ASP 274 CO 0.53 0.50 -0.30 -2.24 -1.72 0.00 0.00 179.24 176.01 3ip4 h ASP 275 N 0.91 0.69 -0.36 6.45 3.04 -1.95 -1.11 116.42 124.09 3ip4 h ASP 275 Ca 0.36 -0.27 -0.11 0.00 -3.24 0.00 0.00 57.03 53.77 3ip4 h ASP 275 Cb 0.17 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.27 3ip4 h ASP 275 CO -0.17 0.95 -0.20 0.58 -2.04 0.00 0.00 179.24 178.35 3ip4 h VAL 276 N 0.57 1.29 -0.68 4.15 2.07 -1.76 -2.26 116.25 119.63 3ip4 h VAL 276 Ca 0.07 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3ip4 h VAL 276 Cb 0.80 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3ip4 h VAL 276 CO 0.07 0.44 0.44 0.50 0.02 0.00 0.00 177.57 179.04 3ip4 h LYS 277 N 0.56 0.85 -0.48 1.57 3.64 -0.92 -1.43 116.57 120.36 3ip4 h LYS 277 Ca 0.08 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3ip4 h LYS 277 Cb 0.76 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3ip4 h LYS 277 CO 0.06 0.57 0.15 1.49 -2.27 0.00 0.00 179.45 179.44 3ip4 h GLU 278 N 0.88 0.75 -0.62 1.90 4.81 -1.10 -1.40 114.58 119.80 3ip4 h GLU 278 Ca 0.26 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 3ip4 h GLU 278 Cb -0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3ip4 h GLU 278 CO -0.08 0.71 0.03 0.00 -0.73 0.00 0.00 179.01 178.94 3ip4 h ALA 279 N 1.01 0.89 -0.38 2.92 0.00 -1.11 -1.53 119.26 121.06 3ip4 h ALA 279 Ca 0.16 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3ip4 h ALA 279 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ip4 h ALA 279 CO -0.00 0.66 -0.34 0.28 0.00 0.00 0.00 179.25 179.85 3ip4 h VAL 280 N 0.98 1.28 -0.56 0.00 2.07 -1.15 -0.83 116.25 118.04 3ip4 h VAL 280 Ca 0.18 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3ip4 h VAL 280 Cb 0.51 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3ip4 h VAL 280 CO 0.02 0.50 0.12 1.56 0.02 0.00 0.00 177.57 179.80 3ip4 h GLN 281 N 0.72 0.87 -0.20 1.57 4.20 -1.10 0.64 115.11 121.81 3ip4 h GLN 281 Ca 0.07 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3ip4 h GLN 281 Cb 0.91 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3ip4 h GLN 281 CO 0.08 0.79 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.76 3ip4 h ASN 282 N 0.83 0.46 -0.36 1.46 2.35 -1.02 -2.31 115.58 116.99 3ip4 h ASN 282 Ca 0.18 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3ip4 h ASN 282 Cb 0.33 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ip4 h ASN 282 CO 0.00 0.78 -0.20 0.00 -1.65 0.00 0.00 177.43 176.36 3ip4 h ALA 283 N 1.24 0.83 -0.93 -0.83 0.00 -0.39 -1.11 119.26 118.08 3ip4 h ALA 283 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ip4 h ALA 283 Cb 0.80 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3ip4 h ALA 283 CO 0.06 0.64 0.57 0.28 0.00 0.00 0.00 179.25 180.81 3ip4 h VAL 284 N 0.74 1.25 -0.18 0.00 2.07 -0.52 0.71 116.25 120.32 3ip4 h VAL 284 Ca 0.10 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3ip4 h VAL 284 Cb 0.74 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3ip4 h VAL 284 CO 0.06 0.26 -0.33 -0.33 0.02 0.00 0.00 177.57 177.24 3ip4 h GLU 285 N 1.27 0.38 -0.47 1.57 4.39 -0.96 -1.76 114.58 119.00 3ip4 h GLU 285 Ca 0.33 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3ip4 h GLU 285 Cb -0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3ip4 h GLU 285 CO -0.07 0.67 0.05 1.15 -1.16 0.00 0.00 179.01 179.65 3ip4 h THR 286 N 0.33 1.25 -0.64 1.13 2.02 0.01 -0.21 112.91 116.80 3ip4 h THR 286 Ca 0.04 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.29 3ip4 h THR 286 Cb 0.74 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 3ip4 h THR 286 CO 0.06 0.34 0.38 -0.07 0.37 0.00 0.00 175.52 176.60 3ip4 h LEU 287 N 0.65 0.60 -0.64 2.58 4.07 -0.51 -1.81 115.31 120.25 3ip4 h LEU 287 Ca 0.14 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 3ip4 h LEU 287 Cb 0.43 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3ip4 h LEU 287 CO 0.01 0.41 0.13 0.11 -1.08 0.00 0.00 178.44 178.02 3ip4 h LYS 288 N 0.73 1.03 0.00 1.13 1.57 -0.99 -1.97 116.57 118.08 3ip4 h LYS 288 Ca 0.27 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3ip4 h LYS 288 Cb 0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ip4 h LYS 288 CO -0.13 0.95 -0.03 0.66 -0.57 0.00 0.00 179.45 180.33 3ip4 h SER 289 N 0.95 0.00 0.17 0.86 4.64 -0.28 0.82 113.55 120.71 3ip4 h SER 289 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ip4 h SER 289 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ip4 h SER 289 CO 0.01 0.03 -0.14 0.18 -0.87 0.00 0.00 176.83 176.03 3ip4 n LEU 290 N -3.34 1.04 0.00 5.97 4.77 -0.75 -4.93 117.00 119.75 3ip4 n LEU 290 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3ip4 n LEU 290 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3ip4 n LEU 290 CO 0.25 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3ip4 n GLY 291 N 1.26 0.50 3.79 -0.72 0.00 0.28 -4.17 105.19 106.14 3ip4 n GLY 291 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3ip4 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip4 s ALA 292 N -2.00 2.78 -0.33 4.61 0.00 -0.81 -1.23 121.76 124.79 3ip4 s ALA 292 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 3ip4 s ALA 292 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3ip4 s ALA 292 CO 0.00 -0.58 0.21 0.08 0.00 0.00 0.00 175.76 175.47 3ip4 s VAL 293 N -2.06 5.06 -0.21 0.00 1.01 0.53 -4.24 120.40 120.48 3ip4 s VAL 293 Ca 0.68 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 3ip4 s VAL 293 Cb -0.18 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3ip4 s VAL 293 CO 0.27 0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.61 3ip4 s VAL 294 N 1.69 3.00 0.06 2.92 1.01 -1.26 -0.00 120.40 127.82 3ip4 s VAL 294 Ca 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3ip4 s VAL 294 Cb -0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3ip4 s VAL 294 CO 0.09 0.45 -0.11 -1.61 0.00 0.00 0.00 175.10 173.92 3ip4 s GLU 295 N 1.42 0.68 0.36 2.72 2.02 -0.61 -5.00 118.70 120.30 3ip4 s GLU 295 Ca 0.06 -0.87 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 3ip4 s GLU 295 Cb -0.14 -0.56 -0.09 0.00 0.10 0.00 0.00 34.13 33.44 3ip4 s GLU 295 CO -0.06 0.11 1.08 -2.00 0.02 0.00 0.00 175.26 174.41 3ip4 s GLU 296 N -1.72 4.33 0.33 1.61 2.12 -1.26 -1.15 118.70 122.96 3ip4 s GLU 296 Ca -0.05 1.65 0.07 0.00 0.36 0.00 0.00 54.97 57.00 3ip4 s GLU 296 Cb -0.10 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 3ip4 s GLU 296 CO 0.01 -0.03 0.27 1.33 -0.54 0.00 0.00 175.26 176.30 3ip4 n VAL 297 N 0.41 0.00 -4.47 3.70 0.24 -0.48 -4.82 118.33 112.89 3ip4 n VAL 297 Ca 0.03 -2.38 -0.22 0.00 -2.04 0.00 0.00 64.34 59.72 3ip4 n VAL 297 Cb 0.48 1.17 -0.16 0.00 -1.47 0.00 0.00 33.84 33.86 3ip4 n VAL 297 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ip4 s SER 298 N -3.29 1.44 -0.66 -1.34 0.15 -1.26 -1.03 113.70 107.71 3ip4 s SER 298 Ca 0.38 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.85 3ip4 s SER 298 Cb 0.02 -0.49 0.18 0.00 -1.71 0.00 0.00 66.02 64.02 3ip4 s SER 298 CO 0.27 0.06 0.52 0.18 1.20 0.00 0.00 173.24 175.47 3ip4 n LEU 299 N 3.48 2.73 0.21 3.45 4.77 -1.26 -4.94 117.00 125.45 3ip4 n LEU 299 Ca -0.20 -5.16 0.18 0.00 -0.03 0.00 0.00 56.01 50.80 3ip4 n LEU 299 Cb 0.53 -0.58 0.78 0.00 -2.33 0.00 0.00 43.42 41.83 3ip4 n LEU 299 CO 0.25 1.83 1.15 1.55 -1.33 0.00 0.00 177.39 180.84 3ip4 h PRO 300 N 5.17 0.00 -0.65 3.23 0.13 -1.96 -2.23 132.00 135.70 3ip4 h PRO 300 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ip4 h PRO 300 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3ip4 h PRO 300 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 3ip4 n ASN 301 N -3.33 3.53 -0.23 1.44 3.02 -1.26 -4.50 115.26 113.93 3ip4 n ASN 301 Ca 0.03 -2.02 0.03 0.00 -0.03 0.00 0.00 54.58 52.59 3ip4 n ASN 301 Cb 0.49 -0.44 0.15 0.00 -0.61 0.00 0.00 39.78 39.37 3ip4 n ASN 301 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3ip4 h THR 302 N 3.79 0.54 0.00 3.41 2.02 -1.81 -1.30 112.91 119.56 3ip4 h THR 302 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3ip4 h THR 302 Cb 0.90 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3ip4 h THR 302 CO 0.01 0.04 0.18 0.07 0.37 0.00 0.00 175.52 176.20 3ip4 h LYS 303 N 0.23 0.00 -0.01 6.66 2.10 -1.85 -0.40 116.57 123.30 3ip4 h LYS 303 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3ip4 h LYS 303 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3ip4 h LYS 303 CO -0.49 0.00 -0.17 1.19 -2.00 0.00 0.00 179.45 177.98 3ip4 n PHE 304 N -2.88 0.00 0.05 0.07 3.72 -0.49 -4.39 117.46 113.54 3ip4 n PHE 304 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 3ip4 n PHE 304 Cb 0.24 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 3ip4 n PHE 304 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ip4 h GLY 305 N 4.88 -0.19 0.99 1.37 0.00 -1.15 -1.54 103.07 107.43 3ip4 h GLY 305 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3ip4 h GLY 305 CO 0.00 -0.14 -0.08 -2.22 0.00 0.00 0.00 176.54 174.10 3ip4 h ILE 306 N -0.24 0.84 -0.30 2.60 2.04 -1.80 0.13 117.51 120.78 3ip4 h ILE 306 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 3ip4 h ILE 306 Cb 0.31 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3ip4 h ILE 306 CO -0.14 0.00 -0.35 1.55 0.00 0.00 0.00 178.15 179.21 3ip4 h PRO 307 N -0.22 0.66 -0.16 2.37 0.13 -1.82 0.23 132.00 133.20 3ip4 h PRO 307 Ca -0.02 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3ip4 h PRO 307 Cb 0.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 3ip4 h PRO 307 CO 0.03 0.91 0.00 0.77 -0.23 0.00 0.00 178.00 179.49 3ip4 h SER 308 N 0.55 0.27 0.06 1.44 0.02 -1.25 -1.75 113.55 112.90 3ip4 h SER 308 Ca 0.06 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3ip4 h SER 308 Cb 0.86 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3ip4 h SER 308 CO 0.07 0.50 -0.14 0.22 -1.14 0.00 0.00 176.83 176.35 3ip4 h TYR 309 N 0.02 -0.35 -0.50 3.45 3.20 -0.92 -0.66 116.97 121.21 3ip4 h TYR 309 Ca 0.04 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3ip4 h TYR 309 Cb 0.37 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 3ip4 h TYR 309 CO 0.03 -0.21 0.08 -0.92 -1.64 0.00 0.00 178.16 175.50 3ip4 h TYR 310 N -0.26 0.11 0.07 -3.82 3.20 -0.86 0.27 116.97 115.68 3ip4 h TYR 310 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ip4 h TYR 310 Cb 0.29 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3ip4 h TYR 310 CO -0.16 -0.04 -0.03 0.28 -1.64 0.00 0.00 178.16 176.57 3ip4 h VAL 311 N 0.20 1.12 0.12 1.81 2.07 -1.13 -1.44 116.25 119.00 3ip4 h VAL 311 Ca 0.25 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3ip4 h VAL 311 Cb 0.36 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ip4 h VAL 311 CO -0.35 0.16 -0.06 0.40 0.02 0.00 0.00 177.57 177.74 3ip4 h ILE 312 N -0.38 0.94 -0.85 4.57 2.04 -0.82 -0.80 117.51 122.21 3ip4 h ILE 312 Ca -0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3ip4 h ILE 312 Cb 0.33 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3ip4 h ILE 312 CO 0.02 0.05 0.43 0.00 0.00 0.00 0.00 178.15 178.64 3ip4 h ALA 313 N 0.62 1.15 -0.35 1.87 0.00 -0.55 -0.89 119.26 121.11 3ip4 h ALA 313 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3ip4 h ALA 313 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ip4 h ALA 313 CO 0.03 0.66 -0.04 0.77 0.00 0.00 0.00 179.25 180.66 3ip4 h SER 314 N 1.21 0.64 0.10 0.00 0.02 -1.16 0.10 113.55 114.45 3ip4 h SER 314 Ca 0.30 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3ip4 h SER 314 Cb 0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3ip4 h SER 314 CO -0.04 0.82 -0.08 0.28 -1.14 0.00 0.00 176.83 176.67 3ip4 h SER 315 N 0.44 -0.21 -0.72 3.07 0.02 -0.88 0.29 113.55 115.57 3ip4 h SER 315 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3ip4 h SER 315 Cb 0.52 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 3ip4 h SER 315 CO 0.03 -0.13 0.44 -0.33 -1.14 0.00 0.00 176.83 175.70 3ip4 h GLU 316 N -0.19 0.99 -0.29 3.45 5.08 -1.11 -1.60 114.58 120.92 3ip4 h GLU 316 Ca -0.00 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3ip4 h GLU 316 Cb 0.17 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3ip4 h GLU 316 CO -0.01 0.69 -0.07 0.00 -1.00 0.00 0.00 179.01 178.62 3ip4 h ALA 317 N 1.48 1.35 0.00 3.43 0.00 -0.37 0.20 119.26 125.34 3ip4 h ALA 317 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ip4 h ALA 317 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ip4 h ALA 317 CO -0.05 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3ip4 n SER 318 N -4.25 0.00 -0.02 0.00 3.41 0.04 -1.41 113.62 111.38 3ip4 n SER 318 Ca 0.01 -0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 3ip4 n SER 318 Cb 0.28 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3ip4 n SER 318 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ip4 n SER 319 N -1.18 1.83 0.25 4.04 2.88 -0.54 -4.56 113.62 116.34 3ip4 n SER 319 Ca 0.07 0.02 0.11 0.00 -1.33 0.00 0.00 58.87 57.74 3ip4 n SER 319 Cb 0.08 -0.10 0.65 0.00 -0.75 0.00 0.00 64.21 64.08 3ip4 n SER 319 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3ip4 h ASN 320 N -0.09 0.00 -0.63 -3.46 2.35 -0.50 -2.49 115.58 110.75 3ip4 h ASN 320 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3ip4 h ASN 320 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3ip4 h ASN 320 CO -0.05 0.16 0.00 0.18 -1.65 0.00 0.00 177.43 176.07 3ip4 n LEU 321 N -3.73 3.70 0.22 1.61 4.32 -0.50 -4.31 117.00 118.31 3ip4 n LEU 321 Ca -0.02 -1.79 0.14 0.00 -0.02 0.00 0.00 56.01 54.32 3ip4 n LEU 321 Cb 0.27 -0.42 0.36 0.00 -1.62 0.00 0.00 43.42 42.01 3ip4 n LEU 321 CO 0.32 0.90 0.87 0.28 -1.22 0.00 0.00 177.39 178.54 3ip4 h SER 322 N 4.21 0.00 0.80 -1.43 0.02 -1.66 -3.06 113.55 112.44 3ip4 h SER 322 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ip4 h SER 322 Cb 0.96 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 3ip4 h SER 322 CO 0.00 0.00 -0.03 0.08 -1.14 0.00 0.00 176.83 175.74 3ip4 h ARG 323 N 0.00 0.00 -6.33 3.45 0.11 -1.77 -3.40 114.38 106.44 3ip4 h ARG 323 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 3ip4 h ARG 323 Cb 0.80 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.81 3ip4 h ARG 323 CO 0.00 0.03 1.11 -0.06 0.10 0.00 0.00 179.97 181.16 3ip4 s PHE 324 N -3.78 2.21 0.00 4.08 0.08 -1.16 -4.65 117.98 114.76 3ip4 s PHE 324 Ca -0.00 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.33 3ip4 s PHE 324 Cb 0.10 -4.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.09 3ip4 s PHE 324 CO 0.54 -2.04 0.33 -0.40 -0.10 0.00 0.00 175.22 173.54 3ip4 n ASP 325 N 9.91 0.27 0.00 1.36 5.68 -1.26 -4.73 116.55 127.77 3ip4 n ASP 325 Ca 0.09 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3ip4 n ASP 325 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3ip4 n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ip4 n GLY 326 N -0.04 0.41 0.07 6.12 0.00 -1.22 -4.63 105.19 105.88 3ip4 n GLY 326 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3ip4 n GLY 326 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ip4 h ILE 327 N 0.00 1.38 0.00 -0.61 2.04 -1.90 -3.41 117.51 115.01 3ip4 h ILE 327 Ca 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3ip4 h ILE 327 Cb 0.23 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3ip4 h ILE 327 CO 0.00 0.47 -1.62 0.54 0.00 0.00 0.00 178.15 177.54 3ip4 n ARG 328 N -4.65 0.46 -3.74 2.37 1.74 -1.26 -5.04 116.66 106.53 3ip4 n ARG 328 Ca -0.08 -0.12 0.02 0.00 -0.77 0.00 0.00 57.85 56.90 3ip4 n ARG 328 Cb 0.37 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3ip4 n ARG 328 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3ip4 s TYR 329 N -3.35 -0.02 0.00 -1.55 -0.85 -1.26 -5.17 117.35 105.15 3ip4 s TYR 329 Ca -0.03 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 3ip4 s TYR 329 Cb 0.14 0.56 0.00 0.00 0.38 0.00 0.00 41.96 43.04 3ip4 s TYR 329 CO 0.89 -0.30 0.00 0.41 -1.52 0.00 0.00 175.55 175.03 3ip4 n GLY 330 N -0.62 -1.55 3.73 5.49 0.00 -1.26 -3.83 105.19 107.15 3ip4 n GLY 330 Ca -0.05 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 3ip4 n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ip4 s TYR 331 N 0.00 2.91 -0.17 1.61 5.04 0.28 -4.79 117.35 122.23 3ip4 s TYR 331 Ca 0.00 0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 55.22 3ip4 s TYR 331 Cb 0.00 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 38.31 3ip4 s TYR 331 CO 0.00 -3.76 -0.05 -1.58 -1.34 0.00 0.00 175.55 168.82 3ip4 s HIS 332 N 0.71 1.68 0.08 4.97 5.65 -1.26 -3.43 115.29 123.68 3ip4 s HIS 332 Ca 0.69 -1.07 -0.31 0.00 0.25 0.00 0.00 55.06 54.62 3ip4 s HIS 332 Cb -0.47 -1.30 -0.09 0.00 -1.18 0.00 0.00 32.58 29.54 3ip4 s HIS 332 CO 0.38 -0.61 1.75 0.45 -0.65 0.00 0.00 174.74 176.05 3ip4 s SER 333 N 1.64 6.53 0.39 9.88 0.15 -1.26 -4.88 113.70 126.14 3ip4 s SER 333 Ca 0.01 2.58 0.21 0.00 0.70 0.00 0.00 55.95 59.45 3ip4 s SER 333 Cb -0.15 -2.56 0.58 0.00 -1.71 0.00 0.00 66.02 62.17 3ip4 s SER 333 CO -0.08 -0.95 1.68 0.50 1.20 0.00 0.00 173.24 175.59 3ip4 h LYS 334 N 8.76 0.00 -0.58 5.44 3.64 -1.99 -3.28 116.57 128.57 3ip4 h LYS 334 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3ip4 h LYS 334 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3ip4 h LYS 334 CO 0.94 0.29 0.00 0.39 -2.27 0.00 0.00 179.45 178.80 3ip4 n GLU 335 N -3.30 2.65 -3.02 1.90 4.71 -1.26 -4.93 120.64 117.39 3ip4 n GLU 335 Ca 0.01 -2.05 -0.39 0.00 -0.01 0.00 0.00 57.16 54.72 3ip4 n GLU 335 Cb 0.54 -1.58 -0.06 0.00 -1.01 0.00 0.00 31.44 29.34 3ip4 n GLU 335 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ip4 s ALA 336 N -1.52 3.45 -0.11 0.62 0.00 -1.24 -4.98 121.76 117.98 3ip4 s ALA 336 Ca 0.37 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 3ip4 s ALA 336 Cb 0.22 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 3ip4 s ALA 336 CO 0.22 0.24 -0.13 0.72 0.00 0.00 0.00 175.76 176.81 3ip4 n HIS 337 N 1.95 0.00 -2.61 0.00 8.25 -1.26 -4.88 115.22 116.68 3ip4 n HIS 337 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 3ip4 n HIS 337 Cb 0.49 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 31.23 3ip4 n HIS 337 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ip4 s SER 338 N -5.65 5.30 0.17 0.41 1.04 -1.26 -4.96 113.70 108.74 3ip4 s SER 338 Ca -0.16 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 3ip4 s SER 338 Cb 0.05 -1.05 0.04 0.00 0.10 0.00 0.00 66.02 65.17 3ip4 s SER 338 CO 0.22 -1.15 1.62 0.25 0.98 0.00 0.00 173.24 175.16 3ip4 h LEU 339 N -0.00 0.99 -0.75 2.42 5.85 -2.00 -1.77 115.31 120.06 3ip4 h LEU 339 Ca -0.43 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 57.99 3ip4 h LEU 339 Cb 1.29 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3ip4 h LEU 339 CO 0.55 1.07 0.49 -0.08 -0.34 0.00 0.00 178.44 180.12 3ip4 h GLU 340 N 0.89 0.95 -0.29 1.25 4.81 -2.00 -2.01 114.58 118.18 3ip4 h GLU 340 Ca 0.16 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3ip4 h GLU 340 Cb 0.57 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3ip4 h GLU 340 CO 0.03 0.63 -0.23 0.93 -0.73 0.00 0.00 179.01 179.65 3ip4 h GLU 341 N 0.98 0.55 -0.13 1.92 5.08 -1.88 -1.22 114.58 119.88 3ip4 h GLU 341 Ca 0.29 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ip4 h GLU 341 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3ip4 h GLU 341 CO -0.08 0.74 0.06 1.25 -1.00 0.00 0.00 179.01 179.98 3ip4 h LEU 342 N 0.49 0.09 0.52 1.33 5.85 -0.61 0.23 115.31 123.22 3ip4 h LEU 342 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3ip4 h LEU 342 Cb 0.66 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.68 3ip4 h LEU 342 CO 0.05 0.07 -0.25 1.88 -0.34 0.00 0.00 178.44 179.85 3ip4 h TYR 343 N 0.14 -0.65 -0.50 1.25 0.05 -1.32 -2.31 116.97 113.64 3ip4 h TYR 343 Ca 0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3ip4 h TYR 343 Cb 0.01 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3ip4 h TYR 343 CO -0.09 -0.33 0.28 0.87 -1.05 0.00 0.00 178.16 177.84 3ip4 h LYS 344 N -0.90 0.69 -0.18 4.88 1.57 -1.15 -2.07 116.57 119.41 3ip4 h LYS 344 Ca -0.07 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 3ip4 h LYS 344 Cb 0.61 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3ip4 h LYS 344 CO 0.12 0.53 -0.73 0.52 -0.57 0.00 0.00 179.45 179.31 3ip4 h MET 345 N 0.66 0.78 -0.72 3.15 2.86 -0.63 -0.37 114.93 120.66 3ip4 h MET 345 Ca 0.18 -0.61 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 3ip4 h MET 345 Cb 0.03 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3ip4 h MET 345 CO -0.03 1.22 0.23 0.77 1.06 0.00 0.00 176.91 180.16 3ip4 h SER 346 N 0.55 1.03 -0.05 1.22 0.02 -1.41 -0.25 113.55 114.66 3ip4 h SER 346 Ca -0.04 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 3ip4 h SER 346 Cb 1.35 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.63 3ip4 h SER 346 CO 0.15 0.96 -0.50 0.03 -1.14 0.00 0.00 176.83 176.32 3ip4 h ARG 347 N 1.07 0.43 -0.08 3.45 3.08 -1.36 0.09 114.38 121.06 3ip4 h ARG 347 Ca 0.23 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 3ip4 h ARG 347 Cb 0.29 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ip4 h ARG 347 CO -0.01 1.04 -0.41 0.77 -1.07 0.00 0.00 179.97 180.29 3ip4 h SER 348 N -0.05 0.18 0.51 7.04 0.02 -1.00 -1.28 113.55 118.97 3ip4 h SER 348 Ca -0.05 -0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.53 3ip4 h SER 348 Cb 1.18 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3ip4 h SER 348 CO 0.10 0.58 -1.50 -0.33 -1.14 0.00 0.00 176.83 174.54 3ip4 h GLU 349 N 0.14 0.20 0.03 3.45 5.08 -1.11 -3.37 114.58 119.01 3ip4 h GLU 349 Ca 0.01 -0.35 -0.21 0.00 -1.00 0.00 0.00 59.36 57.81 3ip4 h GLU 349 Cb 0.80 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3ip4 h GLU 349 CO 0.06 1.05 -1.00 0.78 -1.00 0.00 0.00 179.01 178.91 3ip4 h GLY 350 N 1.95 0.10 -4.78 -3.84 0.00 -0.92 -3.46 103.07 92.12 3ip4 h GLY 350 Ca -0.22 -0.22 -0.60 0.00 0.00 0.00 0.00 47.33 46.28 3ip4 h GLY 350 CO 0.15 0.20 -0.20 -1.36 0.00 0.00 0.00 176.54 175.33 3ip4 s PHE 351 N -2.86 3.68 0.90 5.60 0.08 -0.49 -2.26 117.98 122.63 3ip4 s PHE 351 Ca -0.01 0.95 -0.13 0.00 0.12 0.00 0.00 56.93 57.86 3ip4 s PHE 351 Cb 0.10 -2.27 0.14 0.00 -0.57 0.00 0.00 43.02 40.42 3ip4 s PHE 351 CO 0.83 0.59 1.18 0.20 -0.10 0.00 0.00 175.22 177.91 3ip4 s GLY 352 N -1.34 1.61 0.16 4.36 0.00 -1.26 -4.83 107.32 106.02 3ip4 s GLY 352 Ca 0.28 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 3ip4 s GLY 352 CO 0.15 -0.10 1.78 1.70 0.00 0.00 0.00 173.10 176.63 3ip4 h LYS 353 N -1.44 0.67 -0.47 2.90 3.64 -1.96 -2.25 116.57 117.66 3ip4 h LYS 353 Ca -0.48 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 3ip4 h LYS 353 Cb 1.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3ip4 h LYS 353 CO 0.58 0.51 0.22 1.49 -2.27 0.00 0.00 179.45 179.98 3ip4 h GLU 354 N 0.65 0.68 -0.24 1.90 4.57 -1.95 -0.26 114.58 119.93 3ip4 h GLU 354 Ca 0.17 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3ip4 h GLU 354 Cb 0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3ip4 h GLU 354 CO -0.03 0.58 0.08 0.28 -1.18 0.00 0.00 179.01 178.75 3ip4 h VAL 355 N 0.62 0.94 -0.22 0.32 2.07 -1.86 -1.35 116.25 116.77 3ip4 h VAL 355 Ca 0.16 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3ip4 h VAL 355 Cb 0.13 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ip4 h VAL 355 CO -0.02 0.04 -0.13 0.11 0.02 0.00 0.00 177.57 177.59 3ip4 h LYS 356 N 0.20 0.37 -0.38 1.57 1.57 -1.20 -0.91 116.57 117.79 3ip4 h LYS 356 Ca 0.10 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ip4 h LYS 356 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3ip4 h LYS 356 CO -0.10 0.50 0.18 -0.09 -0.57 0.00 0.00 179.45 179.37 3ip4 h ARG 357 N 0.34 0.54 -0.31 3.15 2.43 -0.41 -0.96 114.38 119.16 3ip4 h ARG 357 Ca 0.07 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 3ip4 h ARG 357 Cb 0.44 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3ip4 h ARG 357 CO 0.03 0.48 -0.43 0.00 -1.51 0.00 0.00 179.97 178.53 3ip4 h ARG 358 N 0.47 0.80 -0.65 0.20 3.08 -0.89 -1.58 114.38 115.80 3ip4 h ARG 358 Ca 0.13 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 3ip4 h ARG 358 Cb 0.11 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3ip4 h ARG 358 CO -0.02 1.07 0.28 0.82 -1.07 0.00 0.00 179.97 181.05 3ip4 h ILE 359 N 0.64 1.23 0.06 2.04 2.04 -1.04 0.79 117.51 123.27 3ip4 h ILE 359 Ca 0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3ip4 h ILE 359 Cb 1.00 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3ip4 h ILE 359 CO 0.10 0.28 -0.03 0.15 0.00 0.00 0.00 178.15 178.65 3ip4 h PHE 360 N 0.91 -0.07 -0.79 1.37 3.04 -1.05 -0.31 116.94 120.05 3ip4 h PHE 360 Ca 0.22 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 3ip4 h PHE 360 Cb 0.18 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.68 3ip4 h PHE 360 CO 0.01 0.09 0.33 1.25 -2.02 0.00 0.00 178.31 177.97 3ip4 h LEU 361 N -0.22 1.07 -0.54 0.59 7.12 -1.12 -1.78 115.31 120.43 3ip4 h LEU 361 Ca -0.01 -0.16 -0.10 0.00 0.13 0.00 0.00 57.88 57.75 3ip4 h LEU 361 Cb 0.19 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 3ip4 h LEU 361 CO 0.01 0.94 -0.04 1.23 -0.13 0.00 0.00 178.44 180.45 3ip4 h GLY 362 N 1.16 1.07 1.01 3.75 0.00 -0.71 0.01 103.07 109.35 3ip4 h GLY 362 Ca 0.26 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3ip4 h GLY 362 CO -0.02 0.75 0.44 -0.84 0.00 0.00 0.00 176.54 176.87 3ip4 h THR 363 N 0.86 1.20 -0.19 4.70 2.02 -0.81 -2.29 112.91 118.41 3ip4 h THR 363 Ca 0.15 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3ip4 h THR 363 Cb 0.59 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3ip4 h THR 363 CO 0.04 0.21 0.06 0.15 0.37 0.00 0.00 175.52 176.35 3ip4 h PHE 364 N 0.99 0.31 -0.02 3.16 3.04 -1.05 -2.03 116.94 121.34 3ip4 h PHE 364 Ca 0.26 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.18 3ip4 h PHE 364 Cb -0.04 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 3ip4 h PHE 364 CO -0.01 0.39 0.05 0.00 -2.02 0.00 0.00 178.31 176.72 3ip4 h ALA 365 N 0.88 1.25 -0.01 2.41 0.00 -0.63 -1.31 119.26 121.84 3ip4 h ALA 365 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ip4 h ALA 365 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ip4 h ALA 365 CO -0.00 -0.06 -0.52 1.28 0.00 0.00 0.00 179.25 179.95 3ip4 n LEU 366 N -3.33 1.52 -4.78 0.00 4.77 -0.89 -3.35 117.00 110.93 3ip4 n LEU 366 Ca -0.02 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 3ip4 n LEU 366 Cb 0.13 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ip4 n LEU 366 CO 0.22 0.30 0.73 -0.94 -1.33 0.00 0.00 177.39 176.37 3ip4 s SER 367 N -2.29 5.36 -0.05 -1.43 1.04 -0.50 -4.54 113.70 111.29 3ip4 s SER 367 Ca 0.13 1.92 -0.36 0.00 0.48 0.00 0.00 55.95 58.12 3ip4 s SER 367 Cb 0.15 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.58 3ip4 s SER 367 CO 0.55 -1.46 1.66 -0.24 0.98 0.00 0.00 173.24 174.73 3ip4 n SER 368 N -2.29 2.69 0.00 7.02 2.88 -1.26 -1.19 113.62 121.46 3ip4 n SER 368 Ca 0.10 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3ip4 n SER 368 Cb 0.52 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3ip4 n SER 368 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ip4 n GLY 369 N 3.72 3.10 0.00 0.46 0.00 -1.26 -4.80 105.19 106.41 3ip4 n GLY 369 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 3ip4 n GLY 369 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ip4 n TYR 370 N -2.00 0.00 -0.10 1.61 4.01 -0.33 -4.78 117.16 115.56 3ip4 n TYR 370 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3ip4 n TYR 370 Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 3ip4 n TYR 370 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ip4 h TYR 371 N 0.00 -0.83 -0.20 -0.72 5.03 -1.41 -0.01 116.97 118.82 3ip4 h TYR 371 Ca 0.00 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3ip4 h TYR 371 Cb 0.06 0.42 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3ip4 h TYR 371 CO 0.00 -0.37 0.07 -0.44 -1.32 0.00 0.00 178.16 176.10 3ip4 h ASP 372 N -0.25 0.29 0.23 -2.11 5.19 -1.87 -1.21 116.42 116.68 3ip4 h ASP 372 Ca 0.17 -0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3ip4 h ASP 372 Cb 0.52 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3ip4 h ASP 372 CO -0.50 0.40 -0.21 0.00 -3.12 0.00 0.00 179.24 175.81 3ip4 h ALA 373 N 0.89 1.62 -0.97 3.45 0.00 -1.78 -1.98 119.26 120.50 3ip4 h ALA 373 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ip4 h ALA 373 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ip4 h ALA 373 CO -0.00 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.17 3ip4 n TYR 374 N -4.24 0.00 0.41 0.00 4.02 -0.05 -4.56 117.16 112.75 3ip4 n TYR 374 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 3ip4 n TYR 374 Cb 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.50 3ip4 n TYR 374 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3ip4 h TYR 375 N 0.00 -1.20 -0.83 -0.72 3.20 -1.42 -1.58 116.97 114.42 3ip4 h TYR 375 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3ip4 h TYR 375 Cb 0.00 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3ip4 h TYR 375 CO 0.00 -0.69 0.48 -0.22 -1.64 0.00 0.00 178.16 176.09 3ip4 h LYS 376 N -1.13 1.13 -0.49 1.82 3.64 -1.35 -1.72 116.57 118.46 3ip4 h LYS 376 Ca -0.10 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3ip4 h LYS 376 Cb 0.91 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 3ip4 h LYS 376 CO 0.11 0.82 0.22 -0.22 -2.27 0.00 0.00 179.45 178.10 3ip4 h LYS 377 N 1.14 0.42 -0.36 1.90 1.63 -1.31 -1.22 116.57 118.76 3ip4 h LYS 377 Ca 0.29 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 3ip4 h LYS 377 Cb -0.01 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3ip4 h LYS 377 CO -0.05 0.28 0.20 0.77 -3.45 0.00 0.00 179.45 177.19 3ip4 h SER 378 N 0.43 0.43 0.54 4.20 0.02 -0.65 -0.76 113.55 117.76 3ip4 h SER 378 Ca 0.22 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3ip4 h SER 378 Cb 0.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ip4 h SER 378 CO -0.19 0.35 -0.47 1.56 -1.14 0.00 0.00 176.83 176.94 3ip4 h GLN 379 N 0.50 0.00 -0.04 3.45 4.20 -0.38 -0.36 115.11 122.47 3ip4 h GLN 379 Ca 0.13 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.60 3ip4 h GLN 379 Cb 0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ip4 h GLN 379 CO -0.02 0.47 -0.93 0.87 -0.67 0.00 0.00 178.83 178.54 3ip4 h LYS 380 N 0.00 0.62 -0.68 1.46 1.57 -0.46 -2.78 116.57 116.30 3ip4 h LYS 380 Ca -0.00 -0.62 -0.03 0.00 -1.87 0.00 0.00 60.65 58.13 3ip4 h LYS 380 Cb 0.87 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3ip4 h LYS 380 CO 0.06 1.22 0.29 0.28 -0.57 0.00 0.00 179.45 180.74 3ip4 h VAL 381 N 0.37 1.23 -0.96 0.50 2.07 -0.86 -1.56 116.25 117.04 3ip4 h VAL 381 Ca -0.09 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3ip4 h VAL 381 Cb 1.57 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3ip4 h VAL 381 CO 0.18 0.28 0.63 -0.09 0.02 0.00 0.00 177.57 178.59 3ip4 h ARG 382 N 0.97 1.18 -0.62 1.57 2.43 -0.96 -0.85 114.38 118.10 3ip4 h ARG 382 Ca 0.23 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3ip4 h ARG 382 Cb 0.15 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3ip4 h ARG 382 CO -0.02 0.78 0.41 1.15 -1.51 0.00 0.00 179.97 180.78 3ip4 h THR 383 N 1.22 1.16 -0.65 0.20 2.02 -1.02 -1.15 112.91 114.69 3ip4 h THR 383 Ca 0.38 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3ip4 h THR 383 Cb -0.00 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3ip4 h THR 383 CO -0.12 0.16 0.32 -0.07 0.37 0.00 0.00 175.52 176.18 3ip4 h LEU 384 N 0.85 0.84 -0.93 2.58 3.38 -0.84 0.47 115.31 121.66 3ip4 h LEU 384 Ca 0.23 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ip4 h LEU 384 Cb -0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3ip4 h LEU 384 CO -0.05 0.73 0.19 0.40 0.09 0.00 0.00 178.44 179.81 3ip4 h ILE 385 N 0.90 1.24 -0.37 1.22 2.04 -0.77 -0.79 117.51 120.98 3ip4 h ILE 385 Ca 0.22 -0.83 -0.13 0.00 1.00 0.00 0.00 64.86 65.12 3ip4 h ILE 385 Cb 0.11 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3ip4 h ILE 385 CO -0.03 0.32 -0.26 0.50 0.00 0.00 0.00 178.15 178.68 3ip4 h LYS 386 N 0.94 0.82 -0.62 2.37 3.64 -0.81 -2.97 116.57 119.94 3ip4 h LYS 386 Ca 0.21 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3ip4 h LYS 386 Cb 0.28 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3ip4 h LYS 386 CO -0.01 1.03 0.40 -0.91 -2.27 0.00 0.00 179.45 177.69 3ip4 h ASN 387 N 0.62 0.73 -0.19 4.20 2.35 -0.43 -2.02 115.58 120.83 3ip4 h ASN 387 Ca 0.07 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3ip4 h ASN 387 Cb 0.83 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 3ip4 h ASN 387 CO 0.07 0.54 -0.17 0.44 -1.65 0.00 0.00 177.43 176.65 3ip4 h ASP 388 N 0.85 -0.55 -0.50 5.81 5.19 -0.99 -1.95 116.42 124.27 3ip4 h ASP 388 Ca 0.23 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 3ip4 h ASP 388 Cb -0.07 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3ip4 h ASP 388 CO -0.05 -0.22 0.20 -0.26 -3.12 0.00 0.00 179.24 175.79 3ip4 h PHE 389 N -0.19 0.77 -0.52 4.55 0.04 -1.47 -2.62 116.94 117.50 3ip4 h PHE 389 Ca 0.12 -0.06 0.09 0.00 2.80 0.00 0.00 57.97 60.91 3ip4 h PHE 389 Cb 0.37 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.21 3ip4 h PHE 389 CO -0.31 0.65 0.12 -0.44 -0.60 0.00 0.00 178.31 177.72 3ip4 h ASP 390 N 0.68 0.03 -0.75 2.17 3.32 -0.93 0.23 116.42 121.17 3ip4 h ASP 390 Ca 0.17 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3ip4 h ASP 390 Cb 0.21 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3ip4 h ASP 390 CO -0.01 0.04 0.42 0.11 -1.72 0.00 0.00 179.24 178.08 3ip4 h LYS 391 N 0.26 1.04 -0.52 3.56 1.57 -1.23 -2.64 116.57 118.60 3ip4 h LYS 391 Ca 0.26 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3ip4 h LYS 391 Cb 0.35 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3ip4 h LYS 391 CO -0.33 0.76 -0.12 0.28 -0.57 0.00 0.00 179.45 179.48 3ip4 h VAL 392 N 1.03 1.27 0.00 0.50 2.07 -0.90 -2.82 116.25 117.40 3ip4 h VAL 392 Ca 0.27 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3ip4 h VAL 392 Cb 0.02 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3ip4 h VAL 392 CO -0.04 0.45 0.00 0.49 0.02 0.00 0.00 177.57 178.48 3ip4 n PHE 393 N -4.14 0.00 0.16 1.57 3.72 0.72 -1.08 117.46 118.40 3ip4 n PHE 393 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3ip4 n PHE 393 Cb 0.40 -0.33 0.26 0.00 -0.94 0.00 0.00 39.48 38.87 3ip4 n PHE 393 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ip4 h GLU 394 N 0.00 0.00 0.00 -1.08 5.08 -1.21 -3.34 114.58 114.02 3ip4 h GLU 394 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ip4 h GLU 394 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ip4 h GLU 394 CO 0.00 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 3ip4 n ASN 395 N -3.65 0.29 -4.24 1.42 4.13 -0.85 -5.07 115.26 107.29 3ip4 n ASN 395 Ca -0.01 -0.62 -0.20 0.00 1.68 0.00 0.00 54.58 55.43 3ip4 n ASN 395 Cb 0.56 0.53 -0.12 0.00 -1.54 0.00 0.00 39.78 39.21 3ip4 n ASN 395 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3ip4 s TYR 396 N -0.53 1.50 -0.09 3.10 2.02 -0.24 -4.97 117.35 118.14 3ip4 s TYR 396 Ca 0.00 -0.48 -0.23 0.00 -0.37 0.00 0.00 57.07 55.99 3ip4 s TYR 396 Cb 0.00 -0.81 -0.28 0.00 -0.40 0.00 0.00 41.96 40.47 3ip4 s TYR 396 CO 0.00 0.16 0.76 -0.44 -1.57 0.00 0.00 175.55 174.46 3ip4 h ASP 397 N 3.85 0.30 -5.32 2.29 3.32 -1.19 -3.39 116.42 116.27 3ip4 h ASP 397 Ca -0.42 -0.92 -0.14 0.00 0.02 0.00 0.00 57.03 55.57 3ip4 h ASP 397 Cb 1.19 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 3ip4 h ASP 397 CO 0.45 1.34 -0.58 0.68 -1.72 0.00 0.00 179.24 179.40 3ip4 s VAL 398 N -2.38 0.14 -0.01 -1.35 -7.23 -1.07 -4.44 120.40 104.06 3ip4 s VAL 398 Ca -0.17 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3ip4 s VAL 398 Cb 0.01 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3ip4 s VAL 398 CO 0.77 -0.62 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.10 3ip4 s VAL 399 N -3.98 3.04 0.13 1.32 1.01 -0.13 -0.65 120.40 121.14 3ip4 s VAL 399 Ca 0.16 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3ip4 s VAL 399 Cb 0.07 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3ip4 s VAL 399 CO -0.03 0.47 -0.12 0.54 0.00 0.00 0.00 175.10 175.96 3ip4 s VAL 400 N -0.84 1.25 -1.87 2.92 0.11 -0.08 -0.35 120.40 121.54 3ip4 s VAL 400 Ca 0.13 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 3ip4 s VAL 400 Cb -0.11 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 3ip4 s VAL 400 CO 0.03 -0.57 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 3ip4 n GLY 401 N 0.21 -1.69 3.80 6.54 0.00 -0.71 -4.19 105.19 109.15 3ip4 n GLY 401 Ca -0.13 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3ip4 n GLY 401 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ip4 s PRO 402 N -1.77 3.38 -0.05 1.61 0.02 -1.26 0.41 135.00 137.34 3ip4 s PRO 402 Ca 0.00 1.20 -0.22 0.00 0.02 0.00 0.00 61.00 62.01 3ip4 s PRO 402 Cb 0.00 -2.04 -0.31 0.00 0.02 0.00 0.00 34.50 32.17 3ip4 s PRO 402 CO 0.00 -0.76 0.91 1.15 -0.33 0.00 0.00 177.00 177.97 3ip4 h THR 403 N 0.54 1.52 -3.97 0.99 2.02 -1.41 -3.40 112.91 109.18 3ip4 h THR 403 Ca -0.47 -2.50 -0.46 0.00 0.77 0.00 0.00 66.41 63.74 3ip4 h THR 403 Cb 1.22 3.17 -0.22 0.00 -1.74 0.00 0.00 68.15 70.57 3ip4 h THR 403 CO 0.58 0.71 -0.80 0.00 0.37 0.00 0.00 175.52 176.38 3ip4 s ALA 404 N -2.48 1.35 0.10 6.16 0.00 -1.26 -4.23 121.76 121.39 3ip4 s ALA 404 Ca -0.14 -1.02 0.33 0.00 0.00 0.00 0.00 51.96 51.14 3ip4 s ALA 404 Cb 0.01 -0.16 1.55 0.00 0.00 0.00 0.00 23.12 24.51 3ip4 s ALA 404 CO 0.83 0.23 2.00 -1.00 0.00 0.00 0.00 175.76 177.82 3ip4 h PRO 405 N 4.41 0.00 -4.41 0.00 0.13 -1.88 -3.46 132.00 126.79 3ip4 h PRO 405 Ca -0.42 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 3ip4 h PRO 405 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3ip4 h PRO 405 CO 0.41 0.00 -0.41 0.95 -0.23 0.00 0.00 178.00 178.72 3ip4 s THR 406 N -3.71 0.00 0.88 1.56 -4.23 -1.26 -0.86 115.64 108.02 3ip4 s THR 406 Ca -0.00 -1.81 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 3ip4 s THR 406 Cb 0.10 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.59 3ip4 s THR 406 CO 0.45 0.00 1.22 0.42 -0.54 0.00 0.00 174.62 176.17 3ip4 s THR 407 N -3.72 1.99 0.37 3.99 -4.23 -1.26 -4.92 115.64 107.86 3ip4 s THR 407 Ca 0.35 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.59 3ip4 s THR 407 Cb 0.03 -2.97 -0.12 0.00 1.34 0.00 0.00 72.50 70.79 3ip4 s THR 407 CO 0.17 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.48 3ip4 n ALA 408 N -3.55 1.02 -1.99 3.99 0.00 -1.26 -4.99 120.51 113.72 3ip4 n ALA 408 Ca 0.10 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.63 3ip4 n ALA 408 Cb 0.60 -2.21 0.11 0.00 0.00 0.00 0.00 19.45 17.95 3ip4 n ALA 408 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ip4 s PHE 409 N -1.14 1.54 0.41 0.00 -0.71 -1.26 -4.84 117.98 111.98 3ip4 s PHE 409 Ca 0.58 -0.30 -0.19 0.00 -1.04 0.00 0.00 56.93 55.98 3ip4 s PHE 409 Cb -0.56 -2.97 -0.10 0.00 -1.21 0.00 0.00 43.02 38.18 3ip4 s PHE 409 CO 0.60 -1.71 0.89 -0.80 -1.34 0.00 0.00 175.22 172.87 3ip4 s ASN 410 N -4.74 6.86 0.23 1.98 0.01 -1.26 -1.32 114.94 116.69 3ip4 s ASN 410 Ca 0.66 1.56 -0.31 0.00 -0.71 0.00 0.00 52.86 54.07 3ip4 s ASN 410 Cb -0.05 -2.49 -0.11 0.00 0.41 0.00 0.00 41.25 39.01 3ip4 s ASN 410 CO 0.44 -0.34 1.57 -0.76 -1.51 0.00 0.00 177.10 176.50 3ip4 s LEU 411 N -3.23 4.37 0.00 0.60 1.43 -0.50 -1.33 118.68 120.02 3ip4 s LEU 411 Ca 0.59 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 3ip4 s LEU 411 Cb -0.09 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3ip4 s LEU 411 CO 0.16 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3ip4 n GLY 412 N 2.97 2.32 0.13 -3.19 0.00 -1.26 -4.90 105.19 101.27 3ip4 n GLY 412 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3ip4 n GLY 412 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ip4 h GLU 413 N 2.45 0.20 0.00 1.61 4.81 -1.60 -3.38 114.58 118.67 3ip4 h GLU 413 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3ip4 h GLU 413 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3ip4 h GLU 413 CO 0.00 0.92 0.00 0.39 -0.73 0.00 0.00 179.01 179.59 3ip4 n GLU 414 N -3.70 0.45 0.23 1.92 1.02 -1.26 -4.83 120.64 114.48 3ip4 n GLU 414 Ca -0.03 -0.61 0.08 0.00 -0.02 0.00 0.00 57.16 56.58 3ip4 n GLU 414 Cb 0.77 -0.75 0.57 0.00 -0.02 0.00 0.00 31.44 32.01 3ip4 n GLU 414 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ip4 h ILE 415 N 0.96 0.88 -0.68 -3.67 6.09 -1.90 -1.84 117.51 117.36 3ip4 h ILE 415 Ca 0.00 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 3ip4 h ILE 415 Cb 0.48 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.21 3ip4 h ILE 415 CO 0.00 0.20 0.00 0.47 -3.07 0.00 0.00 178.15 175.75 3ip4 n ASP 416 N -3.93 4.75 -3.71 2.19 8.00 -1.26 -4.67 116.55 117.91 3ip4 n ASP 416 Ca -0.02 -2.40 -0.28 0.00 0.71 0.00 0.00 54.79 52.80 3ip4 n ASP 416 Cb 0.29 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.69 3ip4 n ASP 416 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ip4 s ASP 417 N -0.91 3.56 0.14 -2.24 -1.08 -0.69 -4.99 116.67 110.46 3ip4 s ASP 417 Ca 0.52 -3.34 -0.19 0.00 -0.52 0.00 0.00 52.55 49.02 3ip4 s ASP 417 Cb 0.33 -1.16 0.01 0.00 -1.46 0.00 0.00 42.92 40.64 3ip4 s ASP 417 CO 0.26 -0.15 1.69 1.55 0.52 0.00 0.00 175.17 179.04 3ip4 h PRO 418 N 5.78 -0.01 0.36 4.34 0.13 -1.83 -2.11 132.00 138.67 3ip4 h PRO 418 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ip4 h PRO 418 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 3ip4 h PRO 418 CO 0.57 -0.01 -0.50 1.25 -0.23 0.00 0.00 178.00 179.08 3ip4 h LEU 419 N -0.01 -1.41 -0.60 1.56 7.12 -1.94 -3.00 115.31 117.04 3ip4 h LEU 419 Ca 0.13 0.13 0.12 0.00 0.13 0.00 0.00 57.88 58.39 3ip4 h LEU 419 Cb 0.20 0.49 -0.10 0.00 -0.53 0.00 0.00 40.66 40.72 3ip4 h LEU 419 CO -0.28 -0.62 0.03 0.74 -0.13 0.00 0.00 178.44 178.18 3ip4 h THR 420 N -0.90 0.53 -0.14 1.05 2.02 -1.88 -2.39 112.91 111.21 3ip4 h THR 420 Ca -0.04 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3ip4 h THR 420 Cb 0.82 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3ip4 h THR 420 CO -0.14 0.03 -0.04 -0.03 0.37 0.00 0.00 175.52 175.71 3ip4 h MET 421 N 0.14 0.20 0.00 6.66 1.85 -1.25 -2.14 114.93 120.39 3ip4 h MET 421 Ca 0.31 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.36 3ip4 h MET 421 Cb 0.50 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.49 3ip4 h MET 421 CO -0.49 0.25 -0.08 1.88 -0.40 0.00 0.00 176.91 178.07 3ip4 h TYR 422 N 0.19 0.00 0.00 1.39 0.05 -1.33 -2.35 116.97 114.92 3ip4 h TYR 422 Ca 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3ip4 h TYR 422 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 3ip4 h TYR 422 CO 0.00 0.08 -0.01 0.00 -1.05 0.00 0.00 178.16 177.19 3ip4 h ALA 423 N 1.92 1.52 0.00 3.88 0.00 -1.40 -0.80 119.26 124.38 3ip4 h ALA 423 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ip4 h ALA 423 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ip4 h ALA 423 CO 0.01 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3ip4 n ASN 424 N -3.85 0.00 -1.63 0.00 3.02 -0.89 -2.40 115.26 109.51 3ip4 n ASN 424 Ca -0.03 0.45 0.09 0.00 -0.03 0.00 0.00 54.58 55.06 3ip4 n ASN 424 Cb 0.09 -0.48 0.36 0.00 -0.61 0.00 0.00 39.78 39.14 3ip4 n ASN 424 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ip4 n ASP 425 N -1.48 4.86 -0.18 6.41 8.00 -0.31 -4.53 116.55 129.33 3ip4 n ASP 425 Ca 0.04 -2.52 -0.02 0.00 0.71 0.00 0.00 54.79 53.01 3ip4 n ASP 425 Cb 0.18 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.74 3ip4 n ASP 425 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ip4 h LEU 426 N 4.03 -0.39 -0.46 0.64 5.85 -1.64 -2.51 115.31 120.83 3ip4 h LEU 426 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ip4 h LEU 426 Cb 1.52 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3ip4 h LEU 426 CO 0.27 -0.14 -0.42 0.18 -0.34 0.00 0.00 178.44 177.99 3ip4 n LEU 427 N -5.33 1.15 -0.11 2.25 4.77 -1.26 -4.43 117.00 114.04 3ip4 n LEU 427 Ca 0.06 -0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 55.56 3ip4 n LEU 427 Cb 0.30 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 3ip4 n LEU 427 CO 0.11 0.23 -1.20 0.35 -1.33 0.00 0.00 177.39 175.54 3ip4 n THR 428 N -0.75 1.30 -0.18 -5.08 -2.24 -1.09 -4.64 114.28 101.60 3ip4 n THR 428 Ca 0.09 -0.60 0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3ip4 n THR 428 Cb 0.37 -1.04 0.38 0.00 -2.10 0.00 0.00 70.33 67.94 3ip4 n THR 428 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3ip4 h THR 429 N 0.00 0.98 -0.15 4.28 1.35 -1.44 -2.39 112.91 115.54 3ip4 h THR 429 Ca -0.51 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3ip4 h THR 429 Cb 1.92 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3ip4 h THR 429 CO -0.04 0.13 0.09 -0.65 -0.25 0.00 0.00 175.52 174.79 3ip4 h PRO 430 N 0.69 0.20 -0.13 4.72 0.11 -1.82 -1.84 132.00 133.93 3ip4 h PRO 430 Ca 0.33 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3ip4 h PRO 430 Cb 0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3ip4 h PRO 430 CO -0.11 0.14 0.07 0.28 -0.21 0.00 0.00 178.00 178.16 3ip4 h VAL 431 N 0.20 1.10 -0.55 3.15 2.07 -1.72 -0.75 116.25 119.74 3ip4 h VAL 431 Ca 0.05 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3ip4 h VAL 431 Cb -0.01 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ip4 h VAL 431 CO -0.01 0.09 -0.01 0.78 0.02 0.00 0.00 177.57 178.44 3ip4 h ASN 432 N 0.11 0.97 -0.58 0.57 4.21 -1.56 -0.23 115.58 119.08 3ip4 h ASN 432 Ca 0.05 -0.31 0.02 0.00 1.21 0.00 0.00 56.30 57.26 3ip4 h ASN 432 Cb 0.08 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 3ip4 h ASN 432 CO -0.01 1.04 0.38 -0.07 -1.29 0.00 0.00 177.43 177.49 3ip4 h LEU 433 N 0.87 0.62 -0.38 1.61 3.38 -1.11 -1.42 115.31 118.88 3ip4 h LEU 433 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ip4 h LEU 433 Cb 0.55 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ip4 h LEU 433 CO 0.03 0.44 -0.30 0.00 0.09 0.00 0.00 178.44 178.70 3ip4 n ALA 434 N -2.46 3.17 -1.24 1.53 0.00 -0.31 -4.80 120.51 116.41 3ip4 n ALA 434 Ca 0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 3ip4 n ALA 434 Cb 0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3ip4 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ip4 n GLY 435 N 1.37 0.99 3.93 0.00 0.00 -0.19 -4.98 105.19 106.31 3ip4 n GLY 435 Ca 0.11 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 3ip4 n GLY 435 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ip4 s LEU 436 N -1.85 3.39 0.24 0.99 1.43 -0.66 -1.57 118.68 120.65 3ip4 s LEU 436 Ca 0.00 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.55 3ip4 s LEU 436 Cb 0.00 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 3ip4 s LEU 436 CO 0.00 -0.91 0.70 -2.16 0.23 0.00 0.00 176.35 174.20 3ip4 s PRO 437 N -4.84 4.12 -0.17 1.29 0.04 -1.26 -4.39 135.00 129.78 3ip4 s PRO 437 Ca 0.52 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 3ip4 s PRO 437 Cb -0.10 -2.74 0.05 0.00 0.04 0.00 0.00 34.50 31.75 3ip4 s PRO 437 CO 0.43 0.33 0.43 0.20 0.04 0.00 0.00 177.00 178.42 3ip4 s GLY 438 N -1.88 -0.34 0.01 0.56 0.00 -0.26 -2.07 107.32 103.33 3ip4 s GLY 438 Ca 0.46 1.48 0.07 0.00 0.00 0.00 0.00 44.72 46.72 3ip4 s GLY 438 CO 0.20 1.53 -0.20 -1.50 0.00 0.00 0.00 173.10 173.13 3ip4 s ILE 439 N 1.09 1.60 -0.07 0.90 2.07 -0.39 -0.91 121.20 125.49 3ip4 s ILE 439 Ca -0.07 -0.97 0.03 0.00 -1.41 0.00 0.00 60.65 58.23 3ip4 s ILE 439 Cb -0.07 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 3ip4 s ILE 439 CO -0.09 0.36 -0.17 -0.55 -1.91 0.00 0.00 174.94 172.58 3ip4 s SER 440 N -0.72 3.77 0.04 4.50 0.15 0.05 -1.15 113.70 120.33 3ip4 s SER 440 Ca 0.08 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.44 3ip4 s SER 440 Cb -0.08 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 3ip4 s SER 440 CO 0.00 0.28 -0.08 0.68 1.20 0.00 0.00 173.24 175.32 3ip4 s VAL 441 N -0.33 0.53 0.38 4.45 -7.23 -0.52 -1.76 120.40 115.92 3ip4 s VAL 441 Ca 0.02 -0.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 3ip4 s VAL 441 Cb -0.13 -0.59 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 3ip4 s VAL 441 CO 0.02 -0.33 1.28 -2.16 -0.31 0.00 0.00 175.10 173.61 3ip4 s PRO 442 N -1.43 4.09 0.00 4.82 0.04 -1.26 -0.11 135.00 141.15 3ip4 s PRO 442 Ca -0.09 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.08 3ip4 s PRO 442 Cb -0.09 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3ip4 s PRO 442 CO 0.00 -0.38 0.63 0.00 0.04 0.00 0.00 177.00 177.30 3ip4 n GLY 444 N -0.18 -0.04 2.94 0.00 0.00 -1.25 -4.88 105.19 101.78 3ip4 n GLY 444 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3ip4 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip4 s GLN 445 N -2.00 0.26 -0.14 1.61 -0.21 -1.26 -0.69 119.66 117.23 3ip4 s GLN 445 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.16 3ip4 s GLN 445 Cb 0.00 -0.19 0.04 0.00 1.00 0.00 0.00 33.01 33.85 3ip4 s GLN 445 CO 0.00 0.05 -0.05 0.45 -2.12 0.00 0.00 175.29 173.62 3ip4 s SER 446 N -0.35 2.43 -1.49 5.90 0.15 -0.17 -4.69 113.70 115.48 3ip4 s SER 446 Ca -0.02 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 3ip4 s SER 446 Cb -0.03 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.51 3ip4 s SER 446 CO -0.00 -0.17 0.66 0.59 1.20 0.00 0.00 173.24 175.51 3ip4 n ASN 447 N 4.95 -5.62 0.00 5.45 3.02 -1.26 -1.56 115.26 120.24 3ip4 n ASN 447 Ca -0.11 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 3ip4 n ASN 447 Cb 0.49 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 3ip4 n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ip4 n GLY 448 N -1.51 2.78 3.72 7.41 0.00 -1.26 -5.01 105.19 111.32 3ip4 n GLY 448 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3ip4 n GLY 448 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ip4 s ARG 449 N -0.12 4.36 0.63 1.61 0.52 -0.60 -4.86 118.95 120.49 3ip4 s ARG 449 Ca 0.00 0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 55.56 3ip4 s ARG 449 Cb 0.00 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3ip4 s ARG 449 CO 0.00 0.15 1.31 -2.14 0.02 0.00 0.00 175.30 174.63 3ip4 s PRO 450 N 0.64 2.66 -0.03 3.54 0.02 -1.26 -1.00 135.00 139.56 3ip4 s PRO 450 Ca 0.28 2.10 0.07 0.00 0.02 0.00 0.00 61.00 63.48 3ip4 s PRO 450 Cb -0.16 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 3ip4 s PRO 450 CO 0.12 -1.53 -0.25 0.42 -0.33 0.00 0.00 177.00 175.43 3ip4 s ILE 451 N -1.37 2.03 -0.01 2.83 1.01 0.13 -4.43 121.20 121.39 3ip4 s ILE 451 Ca 0.81 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 3ip4 s ILE 451 Cb -0.38 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3ip4 s ILE 451 CO 0.41 0.57 0.07 -0.83 0.00 0.00 0.00 174.94 175.16 3ip4 s GLY 452 N -0.44 1.99 -0.15 6.18 0.00 -1.26 -1.26 107.32 112.38 3ip4 s GLY 452 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 3ip4 s GLY 452 CO 0.01 -0.74 -0.09 -2.27 0.00 0.00 0.00 173.10 170.01 3ip4 s LEU 453 N -1.64 2.96 -0.07 0.66 2.96 0.84 -1.14 118.68 123.24 3ip4 s LEU 453 Ca 0.22 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3ip4 s LEU 453 Cb -0.12 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3ip4 s LEU 453 CO 0.12 0.16 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.60 3ip4 s GLN 454 N 0.41 2.79 -0.16 1.98 0.74 0.16 -1.44 119.66 124.15 3ip4 s GLN 454 Ca -0.07 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.68 3ip4 s GLN 454 Cb -0.15 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.48 3ip4 s GLN 454 CO 0.04 0.52 -0.18 -0.06 -0.55 0.00 0.00 175.29 175.06 3ip4 s PHE 455 N -0.44 2.75 -0.11 1.67 0.08 -0.30 -1.73 117.98 119.89 3ip4 s PHE 455 Ca 0.06 -1.24 -0.00 0.00 0.12 0.00 0.00 56.93 55.87 3ip4 s PHE 455 Cb -0.12 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 3ip4 s PHE 455 CO 0.02 -0.58 -0.10 0.42 -0.10 0.00 0.00 175.22 174.88 3ip4 s ILE 456 N 0.92 3.32 0.50 0.64 1.01 0.53 -1.27 121.20 126.85 3ip4 s ILE 456 Ca -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3ip4 s ILE 456 Cb -0.15 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3ip4 s ILE 456 CO -0.03 0.54 0.04 -0.83 0.00 0.00 0.00 174.94 174.66 3ip4 s GLY 457 N 0.00 3.03 0.82 6.18 0.00 -0.88 -0.95 107.32 115.52 3ip4 s GLY 457 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 3ip4 s GLY 457 CO 0.04 -2.12 1.09 0.54 0.00 0.00 0.00 173.10 172.65 3ip4 s LYS 458 N -3.84 1.89 0.05 2.90 1.02 -1.26 -4.14 119.74 116.35 3ip4 s LYS 458 Ca 0.06 0.78 -0.35 0.00 0.02 0.00 0.00 55.97 56.48 3ip4 s LYS 458 Cb 0.00 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 35.29 3ip4 s LYS 458 CO 0.04 -1.79 1.64 -2.30 -0.92 0.00 0.00 175.35 172.02 3ip4 n PRO 459 N -3.57 1.96 -1.52 -1.68 -0.02 -1.26 -1.64 135.00 127.27 3ip4 n PRO 459 Ca 0.07 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 62.08 3ip4 n PRO 459 Cb 0.55 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3ip4 n PRO 459 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ip4 n PHE 460 N 4.35 -0.00 -1.45 6.00 3.72 -1.26 -4.89 117.46 123.93 3ip4 n PHE 460 Ca 0.19 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.26 3ip4 n PHE 460 Cb 0.27 -3.04 0.07 0.00 -0.94 0.00 0.00 39.48 35.83 3ip4 n PHE 460 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3ip4 n ASP 461 N -0.87 7.30 0.27 4.37 2.03 -0.65 -4.63 116.55 124.36 3ip4 n ASP 461 Ca -0.18 -3.79 0.12 0.00 0.52 0.00 0.00 54.79 51.46 3ip4 n ASP 461 Cb 0.58 -0.89 0.75 0.00 -0.72 0.00 0.00 41.12 40.85 3ip4 n ASP 461 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3ip4 h GLU 462 N 2.06 0.00 -0.71 -0.67 3.07 -1.90 -2.38 114.58 114.05 3ip4 h GLU 462 Ca 0.57 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.47 3ip4 h GLU 462 Cb 0.89 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 3ip4 h GLU 462 CO 1.47 0.05 0.43 0.87 -1.40 0.00 0.00 179.01 180.43 3ip4 h LYS 463 N 0.00 0.80 -0.29 2.33 1.57 -1.85 -1.04 116.57 118.09 3ip4 h LYS 463 Ca -0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3ip4 h LYS 463 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3ip4 h LYS 463 CO 0.01 0.53 -0.45 1.15 -0.57 0.00 0.00 179.45 180.11 3ip4 h THR 464 N 0.82 1.29 -0.54 -0.16 2.02 -1.81 -1.90 112.91 112.63 3ip4 h THR 464 Ca 0.29 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 3ip4 h THR 464 Cb 0.08 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3ip4 h THR 464 CO -0.13 0.53 0.30 -0.07 0.37 0.00 0.00 175.52 176.52 3ip4 h LEU 465 N 0.60 0.68 -1.12 2.58 3.38 -1.29 -1.29 115.31 118.85 3ip4 h LEU 465 Ca 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3ip4 h LEU 465 Cb 1.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3ip4 h LEU 465 CO 0.10 0.58 -0.29 1.88 0.09 0.00 0.00 178.44 180.80 3ip4 h TYR 466 N 0.73 0.28 -0.03 1.13 0.05 -1.11 0.24 116.97 118.26 3ip4 h TYR 466 Ca 0.19 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 3ip4 h TYR 466 Cb 0.05 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 3ip4 h TYR 466 CO -0.01 0.52 0.01 -0.09 -1.05 0.00 0.00 178.16 177.54 3ip4 h ARG 467 N 0.23 0.05 -0.17 4.88 2.43 -0.76 -0.97 114.38 120.06 3ip4 h ARG 467 Ca 0.03 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 3ip4 h ARG 467 Cb 0.63 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3ip4 h ARG 467 CO 0.05 0.28 -0.66 -0.24 -1.51 0.00 0.00 179.97 177.89 3ip4 h VAL 468 N -0.19 1.32 -0.72 0.20 3.04 -1.11 -2.81 116.25 115.98 3ip4 h VAL 468 Ca 0.01 -1.92 -0.07 0.00 -1.01 0.00 0.00 66.70 63.71 3ip4 h VAL 468 Cb 0.26 1.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.39 3ip4 h VAL 468 CO 0.00 0.60 0.19 0.00 -1.01 0.00 0.00 177.57 177.35 3ip4 h ALA 469 N 0.80 0.97 -0.40 3.17 0.00 -0.96 -1.79 119.26 121.06 3ip4 h ALA 469 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ip4 h ALA 469 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3ip4 h ALA 469 CO 0.13 0.67 0.11 -0.92 0.00 0.00 0.00 179.25 179.24 3ip4 h TYR 470 N 1.09 0.65 -0.64 0.00 3.20 -1.14 0.17 116.97 120.30 3ip4 h TYR 470 Ca 0.23 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ip4 h TYR 470 Cb 0.35 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3ip4 h TYR 470 CO 0.03 0.62 0.40 1.96 -1.64 0.00 0.00 178.16 179.52 3ip4 h GLN 471 N 0.50 0.87 -0.59 1.82 1.08 -1.32 -1.52 115.11 115.93 3ip4 h GLN 471 Ca 0.13 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3ip4 h GLN 471 Cb 0.28 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3ip4 h GLN 471 CO -0.00 0.61 0.20 -0.92 -0.95 0.00 0.00 178.83 177.77 3ip4 h TYR 472 N 0.87 0.94 -0.12 2.96 3.20 -1.10 -2.54 116.97 121.18 3ip4 h TYR 472 Ca 0.23 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3ip4 h TYR 472 Cb -0.05 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 3ip4 h TYR 472 CO -0.02 0.77 0.10 1.49 -1.64 0.00 0.00 178.16 178.86 3ip4 h GLU 473 N 0.83 0.00 0.00 1.82 4.81 -0.29 0.08 114.58 121.84 3ip4 h GLU 473 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3ip4 h GLU 473 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ip4 h GLU 473 CO -0.01 0.00 0.00 1.79 -0.73 0.00 0.00 179.01 180.06 3ip4 h THR 474 N 0.00 0.00 0.02 0.32 1.35 -0.85 -3.13 112.91 110.61 3ip4 h THR 474 Ca 0.06 -0.44 -0.35 0.00 -0.55 0.00 0.00 66.41 65.13 3ip4 h THR 474 Cb 0.25 1.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.99 3ip4 h THR 474 CO -0.00 0.00 -2.16 0.00 -0.25 0.00 0.00 175.52 173.11 3ip4 n GLN 475 N -2.89 0.68 -3.72 4.72 1.13 -0.03 -4.97 117.38 112.29 3ip4 n GLN 475 Ca 0.01 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.09 3ip4 n GLN 475 Cb 0.28 -1.62 -0.10 0.00 0.11 0.00 0.00 30.24 28.91 3ip4 n GLN 475 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3ip4 s TYR 476 N -2.54 -0.49 0.11 1.08 6.14 -0.91 -5.15 117.35 115.59 3ip4 s TYR 476 Ca -0.14 1.13 -0.26 0.00 0.64 0.00 0.00 57.07 58.44 3ip4 s TYR 476 Cb 0.07 0.19 0.08 0.00 0.42 0.00 0.00 41.96 42.72 3ip4 s TYR 476 CO 0.78 -0.25 1.05 0.54 0.64 0.00 0.00 175.55 178.31 3ip4 s ASN 477 N 0.63 -0.13 -0.19 4.32 2.20 -1.26 -4.19 114.94 116.32 3ip4 s ASN 477 Ca -0.03 -0.35 0.15 0.00 -0.94 0.00 0.00 52.86 51.69 3ip4 s ASN 477 Cb -0.05 0.40 0.47 0.00 -2.00 0.00 0.00 41.25 40.07 3ip4 s ASN 477 CO -0.04 -0.75 1.36 0.18 -2.94 0.00 0.00 177.10 174.91 3ip4 n LEU 478 N -0.49 3.55 -0.28 3.54 4.77 -1.26 -4.78 117.00 122.04 3ip4 n LEU 478 Ca -0.06 -3.24 0.21 0.00 -0.03 0.00 0.00 56.01 52.89 3ip4 n LEU 478 Cb 0.61 -0.54 0.51 0.00 -2.33 0.00 0.00 43.42 41.67 3ip4 n LEU 478 CO 0.14 0.84 1.22 0.45 -1.33 0.00 0.00 177.39 178.71 3ip4 h HIS 479 N 1.18 0.59 0.00 -1.77 3.86 -1.95 -1.43 115.15 115.64 3ip4 h HIS 479 Ca 0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3ip4 h HIS 479 Cb 1.38 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3ip4 h HIS 479 CO 0.51 0.11 -0.63 -0.44 0.86 0.00 0.00 177.93 178.34 3ip4 h ASP 480 N 0.41 0.00 0.12 2.45 3.32 -1.99 -3.38 116.42 117.35 3ip4 h ASP 480 Ca 0.52 -0.13 -0.29 0.00 0.02 0.00 0.00 57.03 57.15 3ip4 h ASP 480 Cb 1.32 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.90 3ip4 h ASP 480 CO -0.22 0.07 -1.21 0.58 -1.72 0.00 0.00 179.24 176.74 3ip4 h VAL 481 N 0.00 1.30 -0.56 -1.35 2.07 -1.62 -3.37 116.25 112.71 3ip4 h VAL 481 Ca 0.00 -2.45 0.07 0.00 0.82 0.00 0.00 66.70 65.15 3ip4 h VAL 481 Cb 0.83 2.72 -0.10 0.00 -1.52 0.00 0.00 31.29 33.22 3ip4 h VAL 481 CO 0.00 0.74 -0.51 1.88 0.02 0.00 0.00 177.57 179.70 3ip4 h TYR 482 N 0.23 -1.54 0.00 1.57 0.05 -1.71 0.34 116.97 115.90 3ip4 h TYR 482 Ca -0.18 0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3ip4 h TYR 482 Cb 1.89 0.75 0.00 0.00 1.01 0.00 0.00 36.73 40.38 3ip4 h TYR 482 CO 0.12 -0.45 0.00 -0.85 -1.05 0.00 0.00 178.16 175.93 3ip4 n GLU 483 N -5.38 0.03 0.00 4.88 0.28 -1.26 -1.97 120.64 117.23 3ip4 n GLU 483 Ca -0.01 0.33 0.11 0.00 -0.16 0.00 0.00 57.16 57.43 3ip4 n GLU 483 Cb 0.34 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.71 3ip4 n GLU 483 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ip4 n LYS 484 N -1.40 0.01 0.00 3.44 5.02 0.12 -5.16 118.16 120.18 3ip4 n LYS 484 Ca 0.02 -0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3ip4 n LYS 484 Cb 0.05 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.05 3ip4 n LYS 484 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16