#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 n LEU 3 N 0.00 0.00 0.00 4.03 -0.00 -1.26 -4.88 117.00 114.89 2ri4 n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ri4 n LEU 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2ri4 n LEU 3 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.46 2ri4 n THR 4 N 0.00 0.00 -1.80 1.96 5.66 -1.26 -5.11 114.28 113.73 2ri4 n THR 4 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ri4 n THR 4 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ri4 n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ri4 n ALA 5 N -3.00 0.00 0.19 1.79 0.00 -1.26 -4.55 120.51 113.68 2ri4 n ALA 5 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2ri4 n ALA 5 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 2ri4 n ALA 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ri4 h GLU 6 N 0.00 0.00 0.00 0.00 4.81 -2.01 -3.34 114.58 114.04 2ri4 h GLU 6 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2ri4 h GLU 6 Cb 0.45 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2ri4 h GLU 6 CO 0.00 0.34 -1.99 0.39 -0.73 0.00 0.00 179.01 177.02 2ri4 n GLU 7 N -3.37 0.40 0.01 1.92 1.02 -1.26 -3.96 120.64 115.41 2ri4 n GLU 7 Ca 0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2ri4 n GLU 7 Cb 0.55 -1.25 0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2ri4 n GLU 7 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ri4 n LYS 8 N -3.37 0.01 0.03 3.49 5.02 -1.26 0.82 118.16 122.90 2ri4 n LYS 8 Ca -0.33 0.44 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 2ri4 n LYS 8 Cb 0.79 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2ri4 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ri4 h ALA 9 N 1.74 -0.17 0.71 7.82 0.00 -1.70 -3.32 119.26 124.34 2ri4 h ALA 9 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2ri4 h ALA 9 Cb 0.13 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ri4 h ALA 9 CO 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 179.25 178.67 2ri4 h ALA 10 N -0.28 -1.19 -0.14 0.00 0.00 0.29 -2.90 119.26 115.04 2ri4 h ALA 10 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ri4 h ALA 10 Cb 0.54 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2ri4 h ALA 10 CO 0.03 -1.12 -0.08 0.28 0.00 0.00 0.00 179.25 178.35 2ri4 n VAL 11 N -4.69 -0.10 -0.24 0.00 0.31 -0.47 -1.04 118.33 112.11 2ri4 n VAL 11 Ca -0.12 1.39 -0.01 0.00 -0.01 0.00 0.00 64.34 65.59 2ri4 n VAL 11 Cb 0.37 -1.81 0.06 0.00 -0.91 0.00 0.00 33.84 31.55 2ri4 n VAL 11 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ri4 h THR 12 N 0.00 0.24 0.00 2.52 2.02 -1.68 0.26 112.91 116.27 2ri4 h THR 12 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2ri4 h THR 12 Cb 0.06 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ri4 h THR 12 CO -0.13 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.37 2ri4 n GLY 13 N -1.46 0.44 0.28 2.16 0.00 -0.21 0.48 105.19 106.88 2ri4 n GLY 13 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ri4 n GLY 13 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ri4 n PHE 14 N 0.09 0.00 0.24 1.61 7.35 0.00 -4.67 117.46 122.08 2ri4 n PHE 14 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 2ri4 n PHE 14 Cb 0.09 0.06 0.59 0.00 0.35 0.00 0.00 39.48 40.57 2ri4 n PHE 14 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 2ri4 h TRP 15 N 0.00 0.00 -1.00 -5.13 2.91 -0.44 -0.34 115.95 111.95 2ri4 h TRP 15 Ca 0.00 0.00 0.26 0.00 1.13 0.00 0.00 58.89 60.28 2ri4 h TRP 15 Cb 0.12 0.00 -0.19 0.00 -0.51 0.00 0.00 29.16 28.58 2ri4 h TRP 15 CO 0.00 0.14 -0.04 0.41 -1.03 0.00 0.00 178.44 177.92 2ri4 n GLY 16 N -1.05 -1.42 0.37 2.65 0.00 0.18 -1.48 105.19 104.43 2ri4 n GLY 16 Ca -0.02 1.00 0.10 0.00 0.00 0.00 0.00 46.02 47.09 2ri4 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ri4 n LYS 17 N -5.52 1.48 -3.17 1.61 4.01 -0.14 -4.93 118.16 111.50 2ri4 n LYS 17 Ca 0.22 -0.72 -0.39 0.00 -0.51 0.00 0.00 58.31 56.91 2ri4 n LYS 17 Cb 0.71 -1.34 -0.05 0.00 -0.51 0.00 0.00 35.03 33.84 2ri4 n LYS 17 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ri4 s VAL 18 N -1.85 4.92 -1.24 -0.18 1.01 -0.55 -4.94 120.40 117.57 2ri4 s VAL 18 Ca 0.29 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 2ri4 s VAL 18 Cb 0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2ri4 s VAL 18 CO 0.23 0.39 1.96 0.29 0.00 0.00 0.00 175.10 177.97 2ri4 n LYS 19 N 2.92 2.53 0.00 2.72 4.01 -1.26 -4.84 118.16 124.24 2ri4 n LYS 19 Ca -0.06 -2.69 0.00 0.00 -0.51 0.00 0.00 58.31 55.05 2ri4 n LYS 19 Cb 0.51 -3.38 0.00 0.00 -0.51 0.00 0.00 35.03 31.65 2ri4 n LYS 19 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2ri4 n VAL 20 N 6.17 0.00 0.06 -0.18 0.31 -1.26 -2.24 118.33 121.18 2ri4 n VAL 20 Ca 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.84 2ri4 n VAL 20 Cb 0.43 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 2ri4 n VAL 20 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2ri4 h ASP 21 N 0.00 0.00 0.00 4.52 3.04 -1.93 -3.05 116.42 119.00 2ri4 h ASP 21 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2ri4 h ASP 21 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2ri4 h ASP 21 CO 0.00 0.51 -1.23 -1.84 -2.04 0.00 0.00 179.24 174.64 2ri4 n GLU 22 N -2.92 1.01 0.05 4.15 0.28 -0.98 -3.16 120.64 119.06 2ri4 n GLU 22 Ca -0.07 -0.07 -0.09 0.00 -0.16 0.00 0.00 57.16 56.77 2ri4 n GLU 22 Cb 0.79 -1.35 0.05 0.00 1.43 0.00 0.00 31.44 32.36 2ri4 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2ri4 h VAL 23 N 0.00 1.37 0.00 3.84 2.07 -1.57 -3.04 116.25 118.91 2ri4 h VAL 23 Ca 0.00 -2.04 -0.14 0.00 0.82 0.00 0.00 66.70 65.34 2ri4 h VAL 23 Cb 0.57 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2ri4 h VAL 23 CO 0.00 0.61 -0.66 1.23 0.02 0.00 0.00 177.57 178.77 2ri4 h GLY 24 N 1.26 0.00 0.66 2.17 0.00 -1.66 0.35 103.07 105.86 2ri4 h GLY 24 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2ri4 h GLY 24 CO 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.64 2ri4 h ALA 25 N 1.34 -0.04 -0.45 3.60 0.00 -1.62 -2.36 119.26 119.72 2ri4 h ALA 25 Ca -0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2ri4 h ALA 25 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2ri4 h ALA 25 CO 0.09 -0.35 -0.26 1.49 0.00 0.00 0.00 179.25 180.21 2ri4 h GLU 26 N -0.39 0.98 -0.38 0.00 4.81 -1.39 -0.52 114.58 117.68 2ri4 h GLU 26 Ca -0.00 -0.45 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 2ri4 h GLU 26 Cb 0.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2ri4 h GLU 26 CO 0.01 1.12 -0.00 0.00 -0.73 0.00 0.00 179.01 179.40 2ri4 h ALA 27 N 0.84 1.29 0.12 2.92 0.00 -0.34 0.49 119.26 124.57 2ri4 h ALA 27 Ca 0.10 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 2ri4 h ALA 27 Cb 0.85 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ri4 h ALA 27 CO 0.07 0.48 -1.20 1.25 0.00 0.00 0.00 179.25 179.85 2ri4 h LEU 28 N 0.58 0.51 -0.31 0.00 6.46 -1.32 -3.21 115.31 118.01 2ri4 h LEU 28 Ca 0.12 -0.51 -0.13 0.00 -0.12 0.00 0.00 57.88 57.24 2ri4 h LEU 28 Cb 0.37 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2ri4 h LEU 28 CO 0.01 1.37 -0.30 1.23 -0.62 0.00 0.00 178.44 180.13 2ri4 h GLY 29 N 1.32 0.83 1.61 3.75 0.00 -0.54 -3.07 103.07 106.96 2ri4 h GLY 29 Ca -0.14 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.27 2ri4 h GLY 29 CO 0.20 0.76 -0.20 3.21 0.00 0.00 0.00 176.54 180.52 2ri4 h ARG 30 N 0.52 0.46 -0.21 4.80 3.08 -0.15 -2.70 114.38 120.18 2ri4 h ARG 30 Ca 0.05 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2ri4 h ARG 30 Cb 0.88 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2ri4 h ARG 30 CO 0.08 0.64 0.05 1.25 -1.07 0.00 0.00 179.97 180.91 2ri4 h LEU 31 N 0.42 0.33 -1.61 3.04 5.85 -1.56 0.37 115.31 122.15 2ri4 h LEU 31 Ca 0.07 -0.24 0.23 0.00 0.84 0.00 0.00 57.88 58.78 2ri4 h LEU 31 Cb 0.58 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2ri4 h LEU 31 CO 0.04 0.49 0.62 -0.07 -0.34 0.00 0.00 178.44 179.17 2ri4 h LEU 32 N 0.16 0.31 0.11 2.25 3.38 -1.41 0.39 115.31 120.49 2ri4 h LEU 32 Ca 0.07 0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 2ri4 h LEU 32 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2ri4 h LEU 32 CO 0.00 0.11 -1.75 0.58 0.09 0.00 0.00 178.44 177.48 2ri4 h VAL 33 N 0.30 0.89 0.00 1.22 2.07 -1.01 -3.23 116.25 116.50 2ri4 h VAL 33 Ca 0.48 -2.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.35 2ri4 h VAL 33 Cb 1.36 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 2ri4 h VAL 33 CO -0.15 0.79 -1.38 0.52 0.02 0.00 0.00 177.57 177.38 2ri4 n VAL 34 N -3.41 0.67 -3.34 2.57 0.31 0.12 -4.40 118.33 110.85 2ri4 n VAL 34 Ca -0.23 -0.59 -0.26 0.00 -0.01 0.00 0.00 64.34 63.26 2ri4 n VAL 34 Cb 1.05 -0.37 -0.09 0.00 -0.91 0.00 0.00 33.84 33.52 2ri4 n VAL 34 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2ri4 n TYR 35 N -2.65 -0.14 0.06 3.52 4.01 0.10 -5.00 117.16 117.07 2ri4 n TYR 35 Ca -0.05 -3.53 0.21 0.00 -0.16 0.00 0.00 57.90 54.37 2ri4 n TYR 35 Cb 0.65 -0.10 0.74 0.00 -0.31 0.00 0.00 39.34 40.33 2ri4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ri4 h PRO 36 N 4.85 0.00 0.00 -0.72 0.11 -1.74 -1.21 132.00 133.29 2ri4 h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2ri4 h PRO 36 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2ri4 h PRO 36 CO 0.46 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.58 2ri4 n TRP 37 N -3.85 0.00 0.09 0.65 2.14 -1.26 -1.74 117.44 113.47 2ri4 n TRP 37 Ca 0.08 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.62 2ri4 n TRP 37 Cb 0.63 -0.35 -0.06 0.00 -0.81 0.00 0.00 31.31 30.72 2ri4 n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 2ri4 h THR 38 N 0.00 1.37 -1.02 -1.67 1.35 -1.52 -3.04 112.91 108.38 2ri4 h THR 38 Ca 0.00 -2.94 0.28 0.00 -0.55 0.00 0.00 66.41 63.19 2ri4 h THR 38 Cb 0.26 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 2ri4 h THR 38 CO 0.00 0.78 0.70 1.56 -0.25 0.00 0.00 175.52 178.31 2ri4 h GLN 39 N 0.00 0.19 -0.47 4.72 4.20 -1.52 -2.37 115.11 119.86 2ri4 h GLN 39 Ca -0.01 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.78 2ri4 h GLN 39 Cb 1.62 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 29.27 2ri4 h GLN 39 CO 0.10 0.12 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.14 2ri4 h ARG 40 N 0.19 -0.05 0.00 1.46 2.43 -1.68 0.14 114.38 116.87 2ri4 h ARG 40 Ca 0.53 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.68 2ri4 h ARG 40 Cb 1.71 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2ri4 h ARG 40 CO -0.13 -0.03 -0.10 0.74 -1.51 0.00 0.00 179.97 178.94 2ri4 h PHE 41 N -0.05 0.00 -0.71 2.20 -1.00 -1.64 -3.04 116.94 112.71 2ri4 h PHE 41 Ca 0.23 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.59 2ri4 h PHE 41 Cb 0.39 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 39.71 2ri4 h PHE 41 CO -0.44 0.10 0.21 1.19 -1.61 0.00 0.00 178.31 177.76 2ri4 n PHE 42 N -4.01 2.27 0.18 -0.55 3.72 0.43 -4.76 117.46 114.74 2ri4 n PHE 42 Ca -0.02 -2.05 0.05 0.00 -0.05 0.00 0.00 57.45 55.38 2ri4 n PHE 42 Cb 0.19 -0.79 0.28 0.00 -0.94 0.00 0.00 39.48 38.22 2ri4 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ri4 h GLU 43 N 1.36 0.00 -0.51 -1.08 5.08 -1.32 -3.10 114.58 115.01 2ri4 h GLU 43 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2ri4 h GLU 43 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2ri4 h GLU 43 CO 0.88 0.40 0.00 0.72 -1.00 0.00 0.00 179.01 180.01 2ri4 n HIS 44 N -3.47 0.67 1.44 4.33 8.25 -1.26 -3.98 115.22 121.19 2ri4 n HIS 44 Ca 0.00 -0.35 0.07 0.00 -0.26 0.00 0.00 57.72 57.18 2ri4 n HIS 44 Cb 0.55 -0.00 0.43 0.00 1.12 0.00 0.00 29.99 32.09 2ri4 n HIS 44 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2ri4 n PHE 45 N 1.50 0.00 0.00 4.41 3.01 -1.17 -4.98 117.46 120.23 2ri4 n PHE 45 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 2ri4 n PHE 45 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 2ri4 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ri4 n GLY 46 N 0.36 0.46 3.64 1.37 0.00 -1.26 -4.69 105.19 105.08 2ri4 n GLY 46 Ca 0.11 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 2ri4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ri4 s ASP 47 N -4.00 6.63 -0.03 1.61 2.15 -1.26 -4.95 116.67 116.83 2ri4 s ASP 47 Ca 0.00 0.77 0.04 0.00 0.43 0.00 0.00 52.55 53.79 2ri4 s ASP 47 Cb 0.00 -2.34 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 2ri4 s ASP 47 CO 0.00 -0.33 0.89 0.18 -0.17 0.00 0.00 175.17 175.74 2ri4 n LEU 48 N 5.41 1.16 -4.51 -1.34 4.77 -1.26 -4.42 117.00 116.82 2ri4 n LEU 48 Ca -0.01 -1.49 -0.43 0.00 -0.03 0.00 0.00 56.01 54.05 2ri4 n LEU 48 Cb 0.49 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2ri4 n LEU 48 CO 0.43 0.36 1.52 -0.94 -1.33 0.00 0.00 177.39 177.43 2ri4 s SER 49 N -1.11 6.89 0.00 -1.43 1.04 -1.26 -4.78 113.70 113.05 2ri4 s SER 49 Ca 0.07 -2.56 0.00 0.00 0.48 0.00 0.00 55.95 53.94 2ri4 s SER 49 Cb 0.06 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2ri4 s SER 49 CO 0.01 -0.99 0.00 -1.54 0.98 0.00 0.00 173.24 171.70 2ri4 n SER 50 N 6.89 0.00 0.08 7.02 3.41 -1.26 -4.62 113.62 125.14 2ri4 n SER 50 Ca 0.38 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 2ri4 n SER 50 Cb 0.45 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.73 2ri4 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ri4 n ALA 51 N 0.01 1.14 0.26 7.33 0.00 -1.26 0.79 120.51 128.77 2ri4 n ALA 51 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 2ri4 n ALA 51 Cb 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 2ri4 n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ri4 h ASP 52 N 0.00 -0.54 -0.86 0.00 3.32 -1.97 -0.10 116.42 116.27 2ri4 h ASP 52 Ca 0.00 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2ri4 h ASP 52 Cb 0.06 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 2ri4 h ASP 52 CO 0.00 -0.29 0.56 0.00 -1.72 0.00 0.00 179.24 177.79 2ri4 h ALA 53 N -0.32 1.52 0.05 3.45 0.00 0.12 -2.95 119.26 121.14 2ri4 h ALA 53 Ca -0.07 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 2ri4 h ALA 53 Cb 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ri4 h ALA 53 CO 0.11 0.36 -1.70 0.28 0.00 0.00 0.00 179.25 178.30 2ri4 h VAL 54 N 1.00 0.90 0.00 0.00 2.07 -1.01 0.26 116.25 119.47 2ri4 h VAL 54 Ca 0.36 -2.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.15 2ri4 h VAL 54 Cb 0.14 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2ri4 h VAL 54 CO -0.12 0.68 -0.26 0.24 0.02 0.00 0.00 177.57 178.13 2ri4 h MET 55 N 0.03 0.00 -0.28 1.57 2.86 -1.13 -3.31 114.93 114.67 2ri4 h MET 55 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2ri4 h MET 55 Cb 2.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 2ri4 h MET 55 CO 0.10 0.26 0.00 0.09 1.06 0.00 0.00 176.91 178.42 2ri4 n ASN 56 N -3.20 2.91 -4.59 1.22 3.02 -1.11 -4.85 115.26 108.66 2ri4 n ASN 56 Ca 0.02 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 2ri4 n ASN 56 Cb 0.60 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2ri4 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ri4 s ASN 57 N -1.20 6.37 0.44 6.41 3.84 0.90 -4.89 114.94 126.81 2ri4 s ASN 57 Ca 0.27 0.45 0.21 0.00 0.21 0.00 0.00 52.86 54.00 2ri4 s ASN 57 Cb 0.16 -2.55 1.19 0.00 -0.55 0.00 0.00 41.25 39.50 2ri4 s ASN 57 CO 0.22 -1.48 1.84 0.00 -2.79 0.00 0.00 177.10 174.89 2ri4 h ALA 58 N 10.22 2.38 0.00 1.71 0.00 -1.90 0.67 119.26 132.34 2ri4 h ALA 58 Ca -0.26 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2ri4 h ALA 58 Cb 1.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2ri4 h ALA 58 CO 1.14 -0.69 -0.81 -0.22 0.00 0.00 0.00 179.25 178.67 2ri4 h LYS 59 N 0.31 0.00 0.13 0.00 3.64 -1.90 0.24 116.57 118.99 2ri4 h LYS 59 Ca 0.50 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2ri4 h LYS 59 Cb 1.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2ri4 h LYS 59 CO -0.17 0.71 -0.09 0.28 -2.27 0.00 0.00 179.45 177.91 2ri4 h VAL 60 N 0.00 0.80 0.07 2.00 2.07 -1.20 0.97 116.25 120.96 2ri4 h VAL 60 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2ri4 h VAL 60 Cb 1.59 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2ri4 h VAL 60 CO 0.09 0.00 -0.21 0.11 0.02 0.00 0.00 177.57 177.58 2ri4 h LYS 61 N -0.23 -0.36 -0.69 1.57 1.57 -1.02 0.01 116.57 117.42 2ri4 h LYS 61 Ca -0.01 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2ri4 h LYS 61 Cb 0.20 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2ri4 h LYS 61 CO 0.00 -0.24 0.20 0.00 -0.57 0.00 0.00 179.45 178.84 2ri4 h ALA 62 N 0.45 1.05 -0.02 3.86 0.00 -0.59 -1.39 119.26 122.62 2ri4 h ALA 62 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ri4 h ALA 62 Cb 0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ri4 h ALA 62 CO -0.15 0.64 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 2ri4 h HIS 63 N 1.03 0.03 0.04 0.00 -0.00 0.02 -2.98 115.15 113.28 2ri4 h HIS 63 Ca 0.22 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2ri4 h HIS 63 Cb 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2ri4 h HIS 63 CO 0.02 0.09 -0.02 0.78 -0.00 0.00 0.00 177.93 178.81 2ri4 h GLY 64 N 0.24 -0.05 -0.60 5.26 0.00 0.14 -0.76 103.07 107.29 2ri4 h GLY 64 Ca 0.01 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.49 2ri4 h GLY 64 CO 0.01 -0.02 -0.29 1.70 0.00 0.00 0.00 176.54 177.94 2ri4 h LYS 65 N -0.55 -0.06 0.00 4.80 3.64 -1.55 0.72 116.57 123.57 2ri4 h LYS 65 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ri4 h LYS 65 Cb 0.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2ri4 h LYS 65 CO 0.01 -0.04 0.00 0.87 -2.27 0.00 0.00 179.45 178.02 2ri4 h LYS 66 N -0.07 0.00 0.00 1.90 1.57 -1.32 2.72 116.57 121.38 2ri4 h LYS 66 Ca 0.31 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2ri4 h LYS 66 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2ri4 h LYS 66 CO -0.80 0.00 -0.73 0.28 -0.57 0.00 0.00 179.45 177.64 2ri4 h VAL 67 N 0.00 1.19 0.00 0.50 2.07 0.14 -3.26 116.25 116.89 2ri4 h VAL 67 Ca 0.00 -2.17 -0.06 0.00 0.82 0.00 0.00 66.70 65.29 2ri4 h VAL 67 Cb 0.19 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2ri4 h VAL 67 CO 0.00 0.40 -0.30 -0.07 0.02 0.00 0.00 177.57 177.63 2ri4 h LEU 68 N -1.00 0.00 0.17 2.57 -0.00 0.74 0.49 115.31 118.28 2ri4 h LEU 68 Ca -0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2ri4 h LEU 68 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 2ri4 h LEU 68 CO -0.12 0.30 -0.12 0.44 -0.00 0.00 0.00 178.44 178.93 2ri4 h ASP 69 N 0.00 -0.31 -0.23 -0.43 3.32 0.46 1.53 116.42 120.77 2ri4 h ASP 69 Ca -0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2ri4 h ASP 69 Cb 0.59 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2ri4 h ASP 69 CO 0.04 -0.19 0.13 0.28 -1.72 0.00 0.00 179.24 177.77 2ri4 h SER 70 N -0.30 0.31 0.17 6.45 0.02 -1.44 0.69 113.55 119.46 2ri4 h SER 70 Ca -0.01 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 2ri4 h SER 70 Cb 0.26 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ri4 h SER 70 CO 0.00 0.26 -0.68 0.15 -1.14 0.00 0.00 176.83 175.42 2ri4 h PHE 71 N 0.35 0.61 0.15 3.45 -0.00 0.11 -1.94 116.94 119.68 2ri4 h PHE 71 Ca 0.09 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.97 57.80 2ri4 h PHE 71 Cb 0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 35.88 2ri4 h PHE 71 CO 0.00 1.00 -0.07 0.77 -0.00 0.00 0.00 178.31 180.01 2ri4 h SER 72 N 0.33 -0.18 -0.99 0.41 0.02 0.35 -3.00 113.55 110.49 2ri4 h SER 72 Ca -0.02 -0.25 0.35 0.00 -0.84 0.00 0.00 61.79 61.04 2ri4 h SER 72 Cb 1.25 0.05 -0.18 0.00 0.14 0.00 0.00 62.40 63.66 2ri4 h SER 72 CO 0.12 0.16 0.37 -1.13 -1.14 0.00 0.00 176.83 175.21 2ri4 h ASN 73 N -0.53 0.07 -0.99 3.07 -1.24 0.61 3.25 115.58 119.82 2ri4 h ASN 73 Ca -0.02 0.26 0.05 0.00 0.71 0.00 0.00 56.30 57.29 2ri4 h ASN 73 Cb 0.41 0.33 -0.06 0.00 0.73 0.00 0.00 38.32 39.73 2ri4 h ASN 73 CO 0.03 -0.37 0.64 1.23 -1.29 0.00 0.00 177.43 177.68 2ri4 h GLY 74 N 0.04 1.46 -2.90 1.57 0.00 -1.22 -3.35 103.07 98.68 2ri4 h GLY 74 Ca 0.75 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2ri4 h GLY 74 CO -0.80 0.39 0.00 1.03 0.00 0.00 0.00 176.54 177.16 2ri4 n MET 75 N -4.46 0.37 0.08 4.80 2.81 1.08 -3.12 117.12 118.69 2ri4 n MET 75 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2ri4 n MET 75 Cb 0.13 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2ri4 n MET 75 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ri4 n LYS 76 N 1.36 0.00 -0.13 0.03 5.02 -1.25 -4.85 118.16 118.35 2ri4 n LYS 76 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2ri4 n LYS 76 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.18 2ri4 n LYS 76 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2ri4 n HIS 77 N -2.89 0.00 0.71 2.13 8.25 -1.18 -4.38 115.22 117.86 2ri4 n HIS 77 Ca 0.00 -0.20 0.08 0.00 -0.26 0.00 0.00 57.72 57.33 2ri4 n HIS 77 Cb 0.00 -0.47 0.38 0.00 1.12 0.00 0.00 29.99 31.03 2ri4 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ri4 n LEU 78 N 2.51 0.00 -4.61 2.41 4.77 -1.21 -2.99 117.00 117.87 2ri4 n LEU 78 Ca 0.04 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 2ri4 n LEU 78 Cb 0.12 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 2ri4 n LEU 78 CO 0.13 -0.15 -0.13 -1.81 -1.33 0.00 0.00 177.39 174.11 2ri4 s ASP 79 N -2.59 6.09 -0.70 -1.43 1.01 -1.26 -4.63 116.67 113.17 2ri4 s ASP 79 Ca 0.14 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.47 2ri4 s ASP 79 Cb 0.10 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 2ri4 s ASP 79 CO 0.24 -0.04 0.64 -0.67 0.21 0.00 0.00 175.17 175.54 2ri4 n ASP 80 N 4.86 -6.24 0.18 0.27 2.03 -1.25 -4.86 116.55 111.54 2ri4 n ASP 80 Ca -0.13 -0.28 0.08 0.00 0.52 0.00 0.00 54.79 54.98 2ri4 n ASP 80 Cb 0.52 -4.37 0.59 0.00 -0.72 0.00 0.00 41.12 37.14 2ri4 n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ri4 h LEU 81 N -0.17 0.11 -0.99 -2.67 3.38 -1.79 -3.07 115.31 110.11 2ri4 h LEU 81 Ca -0.21 -0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.11 2ri4 h LEU 81 Cb 1.11 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 2ri4 h LEU 81 CO 0.29 0.08 0.41 0.50 0.09 0.00 0.00 178.44 179.80 2ri4 h LYS 82 N 0.13 0.09 0.05 1.13 3.64 -1.89 1.42 116.57 121.14 2ri4 h LYS 82 Ca 0.05 -0.01 -0.38 0.00 -1.27 0.00 0.00 60.65 59.05 2ri4 h LYS 82 Cb 0.05 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2ri4 h LYS 82 CO -0.01 0.06 -2.26 0.41 -2.27 0.00 0.00 179.45 175.38 2ri4 n GLY 83 N -1.33 -0.46 0.43 5.01 0.00 -1.17 0.62 105.19 108.30 2ri4 n GLY 83 Ca 0.32 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2ri4 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ri4 h THR 84 N 0.03 0.02 -0.07 2.61 2.02 -1.41 -3.03 112.91 113.08 2ri4 h THR 84 Ca -0.51 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.49 2ri4 h THR 84 Cb 1.96 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2ri4 h THR 84 CO -0.01 0.00 -0.73 -0.26 0.37 0.00 0.00 175.52 174.89 2ri4 h PHE 85 N -0.30 0.50 0.00 3.16 0.04 0.18 -3.37 116.94 117.15 2ri4 h PHE 85 Ca 0.11 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2ri4 h PHE 85 Cb 0.56 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2ri4 h PHE 85 CO -0.76 0.97 0.00 0.00 -0.60 0.00 0.00 178.31 177.92 2ri4 n ALA 86 N -2.50 0.00 0.11 2.45 0.00 0.20 0.33 120.51 121.10 2ri4 n ALA 86 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2ri4 n ALA 86 Cb 0.71 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.38 2ri4 n ALA 86 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2ri4 h GLN 87 N 0.00 0.19 -0.02 0.00 4.20 -1.77 -2.30 115.11 115.41 2ri4 h GLN 87 Ca 0.00 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 2ri4 h GLN 87 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2ri4 h GLN 87 CO 0.00 0.60 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.02 2ri4 h LEU 88 N 0.16 0.11 0.16 1.46 3.38 0.52 -3.24 115.31 117.86 2ri4 h LEU 88 Ca 0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2ri4 h LEU 88 Cb 0.85 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2ri4 h LEU 88 CO 0.07 0.75 -0.47 -1.28 0.09 0.00 0.00 178.44 177.59 2ri4 h SER 89 N 0.06 -1.39 -0.81 -0.43 0.87 -1.11 -1.71 113.55 109.03 2ri4 h SER 89 Ca -0.01 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 2ri4 h SER 89 Cb 1.20 0.51 -0.12 0.00 -0.44 0.00 0.00 62.40 63.55 2ri4 h SER 89 CO 0.09 -0.54 -0.50 -0.33 -0.53 0.00 0.00 176.83 175.02 2ri4 h GLU 90 N -0.73 -0.11 -0.50 2.24 5.08 -1.59 -0.12 114.58 118.87 2ri4 h GLU 90 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2ri4 h GLU 90 Cb 0.73 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 2ri4 h GLU 90 CO -0.25 -0.07 -0.51 1.25 -1.00 0.00 0.00 179.01 178.43 2ri4 h LEU 91 N -0.11 -1.74 0.11 1.33 5.85 -1.44 -2.30 115.31 117.01 2ri4 h LEU 91 Ca 0.19 0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.94 2ri4 h LEU 91 Cb 0.51 0.74 0.02 0.00 0.37 0.00 0.00 40.66 42.31 2ri4 h LEU 91 CO -0.84 -0.37 -0.91 0.45 -0.34 0.00 0.00 178.44 176.43 2ri4 h HIS 92 N -0.32 0.71 0.00 1.25 3.86 -0.68 0.68 115.15 120.65 2ri4 h HIS 92 Ca 0.12 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2ri4 h HIS 92 Cb 0.57 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2ri4 h HIS 92 CO -0.73 1.33 0.00 0.00 0.86 0.00 0.00 177.93 179.38 2ri4 n ASP 94 N 0.00 -0.14 -0.00 0.00 9.92 -0.90 -0.20 116.55 125.23 2ri4 n ASP 94 Ca 0.00 0.50 -0.11 0.00 -0.53 0.00 0.00 54.79 54.65 2ri4 n ASP 94 Cb 0.00 -0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.23 2ri4 n ASP 94 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2ri4 h LYS 95 N 0.00 -0.09 0.00 -1.24 1.63 -1.13 -3.35 116.57 112.38 2ri4 h LYS 95 Ca 0.02 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2ri4 h LYS 95 Cb 0.05 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2ri4 h LYS 95 CO -0.12 0.47 -0.99 1.28 -3.45 0.00 0.00 179.45 176.64 2ri4 n LEU 96 N -4.80 0.63 0.00 5.20 4.77 0.23 -4.95 117.00 118.07 2ri4 n LEU 96 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2ri4 n LEU 96 Cb 0.30 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2ri4 n LEU 96 CO 0.26 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.73 2ri4 n HIS 97 N -2.07 0.00 -1.65 -1.77 8.25 0.72 -4.90 115.22 113.80 2ri4 n HIS 97 Ca 0.02 0.00 -0.58 0.00 -0.26 0.00 0.00 57.72 56.89 2ri4 n HIS 97 Cb 0.45 -1.64 -0.08 0.00 1.12 0.00 0.00 29.99 29.85 2ri4 n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2ri4 n VAL 98 N -2.17 0.11 -2.02 1.59 0.31 -0.44 -4.91 118.33 110.80 2ri4 n VAL 98 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 2ri4 n VAL 98 Cb 0.40 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 2ri4 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ri4 s ASP 99 N 1.99 6.67 0.62 4.52 -1.08 -1.26 -4.56 116.67 123.56 2ri4 s ASP 99 Ca 0.95 2.60 0.34 0.00 -0.52 0.00 0.00 52.55 55.91 2ri4 s ASP 99 Cb -1.16 -2.61 1.96 0.00 -1.46 0.00 0.00 42.92 39.64 2ri4 s ASP 99 CO 0.62 -0.72 2.24 1.55 0.52 0.00 0.00 175.17 179.38 2ri4 h PRO 100 N 5.80 0.00 0.00 4.34 0.13 -1.96 0.21 132.00 140.52 2ri4 h PRO 100 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2ri4 h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ri4 h PRO 100 CO 0.83 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.90 2ri4 h GLU 101 N 0.00 0.00 -0.28 0.86 4.57 -1.99 -2.80 114.58 114.94 2ri4 h GLU 101 Ca 0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2ri4 h GLU 101 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2ri4 h GLU 101 CO -0.00 0.19 -0.19 -0.91 -1.18 0.00 0.00 179.01 176.91 2ri4 h ASN 102 N 0.00 0.51 -0.95 1.04 2.35 -0.96 -1.45 115.58 116.12 2ri4 h ASN 102 Ca -0.00 -0.15 0.16 0.00 -0.55 0.00 0.00 56.30 55.75 2ri4 h ASN 102 Cb 0.66 -0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.80 2ri4 h ASN 102 CO 0.02 0.71 0.55 -0.26 -1.65 0.00 0.00 177.43 176.81 2ri4 h PHE 103 N 0.46 0.97 0.00 1.19 0.04 -1.59 -2.37 116.94 115.64 2ri4 h PHE 103 Ca 0.08 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 2ri4 h PHE 103 Cb 0.60 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2ri4 h PHE 103 CO 0.02 0.26 -0.47 -0.22 -0.60 0.00 0.00 178.31 177.30 2ri4 h LYS 104 N 0.76 0.00 0.17 1.51 3.64 -1.23 -1.98 116.57 119.43 2ri4 h LYS 104 Ca 0.52 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 2ri4 h LYS 104 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2ri4 h LYS 104 CO -0.35 0.47 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.15 2ri4 h LEU 105 N 0.00 -0.19 -0.18 5.20 3.38 -1.15 -3.01 115.31 119.35 2ri4 h LEU 105 Ca -0.00 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2ri4 h LEU 105 Cb 0.91 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2ri4 h LEU 105 CO 0.06 0.33 -0.02 0.25 0.09 0.00 0.00 178.44 179.15 2ri4 h LEU 106 N -0.81 -0.12 -1.76 1.67 5.85 -1.45 0.68 115.31 119.37 2ri4 h LEU 106 Ca -0.02 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.00 2ri4 h LEU 106 Cb 0.53 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2ri4 h LEU 106 CO 0.04 -0.04 0.67 1.23 -0.34 0.00 0.00 178.44 180.00 2ri4 h GLY 107 N 0.03 0.45 0.54 3.75 0.00 -1.44 0.68 103.07 107.08 2ri4 h GLY 107 Ca 0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2ri4 h GLY 107 CO -0.17 -0.03 -1.77 0.70 0.00 0.00 0.00 176.54 175.28 2ri4 n ASN 108 N -4.38 0.48 -0.19 0.19 4.13 -0.64 -2.99 115.26 111.86 2ri4 n ASN 108 Ca 0.21 0.21 -0.08 0.00 1.68 0.00 0.00 54.58 56.60 2ri4 n ASN 108 Cb 0.92 0.73 0.02 0.00 -1.54 0.00 0.00 39.78 39.91 2ri4 n ASN 108 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2ri4 h VAL 109 N 0.00 1.21 -0.70 2.41 2.07 0.20 -2.04 116.25 119.41 2ri4 h VAL 109 Ca -0.23 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2ri4 h VAL 109 Cb 1.63 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2ri4 h VAL 109 CO 0.03 0.25 0.20 0.25 0.02 0.00 0.00 177.57 178.32 2ri4 h LEU 110 N 0.74 1.03 -1.31 2.57 5.85 0.17 -0.16 115.31 124.21 2ri4 h LEU 110 Ca 0.18 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2ri4 h LEU 110 Cb 0.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2ri4 h LEU 110 CO -0.02 0.98 0.40 0.58 -0.34 0.00 0.00 178.44 180.04 2ri4 h VAL 111 N 1.03 1.18 -0.14 1.05 2.07 -1.51 0.40 116.25 120.32 2ri4 h VAL 111 Ca 0.22 -0.38 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 2ri4 h VAL 111 Cb 0.33 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2ri4 h VAL 111 CO -0.00 0.18 -0.79 -0.37 0.02 0.00 0.00 177.57 176.61 2ri4 h VAL 112 N 0.89 1.28 -0.29 2.57 -1.51 -1.08 -2.65 116.25 115.46 2ri4 h VAL 112 Ca 0.24 -2.00 0.05 0.00 -1.23 0.00 0.00 66.70 63.76 2ri4 h VAL 112 Cb -0.05 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 2ri4 h VAL 112 CO -0.05 0.63 0.20 0.58 -1.23 0.00 0.00 177.57 177.71 2ri4 h VAL 113 N 0.52 0.94 0.00 7.19 2.07 -0.63 -1.65 116.25 124.68 2ri4 h VAL 113 Ca -0.06 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2ri4 h VAL 113 Cb 1.42 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2ri4 h VAL 113 CO 0.16 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.96 2ri4 n LEU 114 N -4.48 0.49 0.00 2.57 4.77 0.09 -2.37 117.00 118.08 2ri4 n LEU 114 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2ri4 n LEU 114 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ri4 n LEU 114 CO 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.41 2ri4 n ALA 115 N -1.32 0.00 -0.05 -1.18 0.00 -1.01 0.24 120.51 117.19 2ri4 n ALA 115 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ri4 n ALA 115 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2ri4 n ALA 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2ri4 h ARG 116 N 0.00 0.20 0.31 0.00 2.43 -1.38 1.09 114.38 117.03 2ri4 h ARG 116 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2ri4 h ARG 116 Cb 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2ri4 h ARG 116 CO 0.00 0.13 -0.15 0.45 -1.51 0.00 0.00 179.97 178.89 2ri4 h HIS 117 N 0.20 -0.39 0.00 2.20 3.86 0.36 -3.36 115.15 118.02 2ri4 h HIS 117 Ca 0.09 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2ri4 h HIS 117 Cb 0.05 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2ri4 h HIS 117 CO -0.11 -0.06 -0.18 0.45 0.86 0.00 0.00 177.93 178.89 2ri4 h HIS 118 N -0.96 0.00 0.00 2.45 3.86 -0.98 -3.47 115.15 116.05 2ri4 h HIS 118 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2ri4 h HIS 118 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2ri4 h HIS 118 CO 0.04 0.09 0.00 0.41 0.86 0.00 0.00 177.93 179.33 2ri4 n GLY 119 N 1.13 1.51 0.24 2.45 0.00 0.38 -1.31 105.19 109.59 2ri4 n GLY 119 Ca 0.03 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.63 2ri4 n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ri4 h SER 120 N 0.00 0.13 0.44 1.61 4.64 -1.91 -0.15 113.55 118.32 2ri4 h SER 120 Ca 0.00 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2ri4 h SER 120 Cb 0.00 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2ri4 h SER 120 CO 0.00 0.07 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.61 2ri4 h GLU 121 N 0.35 0.00 -5.60 4.77 5.08 -1.59 -3.37 114.58 114.21 2ri4 h GLU 121 Ca 0.34 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 58.01 2ri4 h GLU 121 Cb 0.48 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 2ri4 h GLU 121 CO -0.38 0.09 1.89 0.12 -1.00 0.00 0.00 179.01 179.73 2ri4 s PHE 122 N -4.08 2.93 0.63 4.33 5.36 -0.07 -4.95 117.98 122.13 2ri4 s PHE 122 Ca -0.02 -1.66 -0.15 0.00 -0.96 0.00 0.00 56.93 54.14 2ri4 s PHE 122 Cb 0.12 -4.64 -0.02 0.00 -0.34 0.00 0.00 43.02 38.15 2ri4 s PHE 122 CO 0.55 -1.72 1.07 0.95 -1.46 0.00 0.00 175.22 174.62 2ri4 s THR 123 N 3.64 3.63 0.24 0.12 -4.23 -1.26 -4.83 115.64 112.95 2ri4 s THR 123 Ca 0.50 0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 61.70 2ri4 s THR 123 Cb 0.02 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.77 2ri4 s THR 123 CO 0.04 -0.48 1.75 -0.65 -0.54 0.00 0.00 174.62 174.73 2ri4 h PRO 124 N 0.19 0.48 0.34 3.99 0.11 -1.94 -0.69 132.00 134.48 2ri4 h PRO 124 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2ri4 h PRO 124 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ri4 h PRO 124 CO 0.56 0.32 -0.16 1.25 -0.21 0.00 0.00 178.00 179.75 2ri4 h LEU 125 N 0.49 -0.39 -0.66 2.35 6.46 -1.99 -2.98 115.31 118.59 2ri4 h LEU 125 Ca 0.39 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 58.29 2ri4 h LEU 125 Cb 0.53 0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 40.43 2ri4 h LEU 125 CO -0.35 -0.22 -0.17 -0.11 -0.62 0.00 0.00 178.44 176.97 2ri4 n LEU 126 N -3.55 -0.24 0.25 2.25 7.94 -1.20 0.21 117.00 122.66 2ri4 n LEU 126 Ca -0.06 1.14 0.12 0.00 -1.11 0.00 0.00 56.01 56.10 2ri4 n LEU 126 Cb 0.18 -0.35 0.75 0.00 0.53 0.00 0.00 43.42 44.54 2ri4 n LEU 126 CO 0.14 -1.10 1.10 -0.61 -1.11 0.00 0.00 177.39 175.81 2ri4 h GLN 127 N 0.00 0.00 -0.75 1.96 4.15 -0.99 0.10 115.11 119.58 2ri4 h GLN 127 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 2ri4 h GLN 127 Cb 0.48 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2ri4 h GLN 127 CO -0.68 0.00 0.32 0.00 -1.93 0.00 0.00 178.83 176.53 2ri4 h ALA 128 N 1.97 0.97 -0.17 3.38 0.00 -0.10 0.11 119.26 125.42 2ri4 h ALA 128 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ri4 h ALA 128 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2ri4 h ALA 128 CO -0.00 0.58 -0.30 0.93 0.00 0.00 0.00 179.25 180.46 2ri4 h GLU 129 N 1.07 -0.24 -0.29 0.00 4.39 -0.77 0.33 114.58 119.08 2ri4 h GLU 129 Ca 0.25 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2ri4 h GLU 129 Cb 0.18 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2ri4 h GLU 129 CO -0.02 -0.16 0.16 0.74 -1.16 0.00 0.00 179.01 178.56 2ri4 h PHE 130 N -0.25 0.39 -0.93 4.33 0.04 -1.34 0.99 116.94 120.17 2ri4 h PHE 130 Ca 0.03 -0.01 0.34 0.00 2.80 0.00 0.00 57.97 61.13 2ri4 h PHE 130 Cb 0.34 -0.13 -0.17 0.00 2.20 0.00 0.00 35.95 38.19 2ri4 h PHE 130 CO -0.62 0.32 0.31 1.04 -0.60 0.00 0.00 178.31 178.76 2ri4 n GLN 131 N -4.83 -0.06 -0.07 1.51 1.13 0.36 -0.27 117.38 115.15 2ri4 n GLN 131 Ca -0.02 1.33 -0.13 0.00 -1.94 0.00 0.00 57.00 56.24 2ri4 n GLN 131 Cb 0.07 -2.27 -0.06 0.00 0.11 0.00 0.00 30.24 28.09 2ri4 n GLN 131 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2ri4 h LYS 132 N 0.00 0.48 0.86 -1.09 1.57 0.50 -2.09 116.57 116.80 2ri4 h LYS 132 Ca 0.70 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 2ri4 h LYS 132 Cb 1.72 0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.04 2ri4 h LYS 132 CO -0.78 0.83 -0.41 0.28 -0.57 0.00 0.00 179.45 178.79 2ri4 h VAL 133 N 0.15 0.00 -1.08 0.50 2.07 0.47 -1.31 116.25 117.04 2ri4 h VAL 133 Ca 0.03 -0.11 0.31 0.00 0.82 0.00 0.00 66.70 67.75 2ri4 h VAL 133 Cb 0.74 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 2ri4 h VAL 133 CO 0.05 0.00 0.67 -0.37 0.02 0.00 0.00 177.57 177.94 2ri4 h VAL 134 N -1.27 0.40 -0.55 2.57 -1.51 -0.71 3.32 116.25 118.50 2ri4 h VAL 134 Ca -0.12 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 65.22 2ri4 h VAL 134 Cb 0.89 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.04 2ri4 h VAL 134 CO 0.19 0.06 0.28 0.00 -1.23 0.00 0.00 177.57 176.87 2ri4 h ALA 135 N 1.68 0.71 0.16 5.19 0.00 -1.01 0.73 119.26 126.72 2ri4 h ALA 135 Ca 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2ri4 h ALA 135 Cb 1.72 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2ri4 h ALA 135 CO -0.41 0.26 -0.08 0.78 0.00 0.00 0.00 179.25 179.80 2ri4 h GLY 136 N 0.74 -0.23 0.50 0.00 0.00 0.71 0.22 103.07 105.00 2ri4 h GLY 136 Ca 0.19 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.64 2ri4 h GLY 136 CO -0.03 -0.08 -0.18 -2.08 0.00 0.00 0.00 176.54 174.17 2ri4 h VAL 137 N -0.30 0.56 -0.35 4.60 2.07 -0.23 -1.59 116.25 121.00 2ri4 h VAL 137 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2ri4 h VAL 137 Cb 0.24 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2ri4 h VAL 137 CO 0.04 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.68 2ri4 h ALA 138 N 0.71 0.36 -0.05 1.67 0.00 -0.59 -2.10 119.26 119.26 2ri4 h ALA 138 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2ri4 h ALA 138 Cb 0.36 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ri4 h ALA 138 CO -0.21 -0.35 -0.02 -0.91 0.00 0.00 0.00 179.25 177.76 2ri4 h ASN 139 N 0.17 0.06 -0.31 0.00 4.21 -0.30 -2.87 115.58 116.53 2ri4 h ASN 139 Ca 0.17 -0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.56 2ri4 h ASN 139 Cb 0.20 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 2ri4 h ASN 139 CO -0.24 0.09 -0.27 0.00 -1.29 0.00 0.00 177.43 175.73 2ri4 h ALA 140 N 1.92 0.45 0.00 -0.83 0.00 -0.63 -3.12 119.26 117.05 2ri4 h ALA 140 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ri4 h ALA 140 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ri4 h ALA 140 CO 0.00 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2ri4 n LEU 141 N -4.26 0.00 -3.41 0.00 4.32 -0.98 -3.41 117.00 109.25 2ri4 n LEU 141 Ca -0.03 0.48 -0.26 0.00 -0.02 0.00 0.00 56.01 56.18 2ri4 n LEU 141 Cb 0.46 -0.48 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 2ri4 n LEU 141 CO 0.45 -0.25 -0.14 0.00 -1.22 0.00 0.00 177.39 176.24 2ri4 n ALA 142 N -1.48 3.20 0.03 -1.18 0.00 -1.18 -4.50 120.51 115.39 2ri4 n ALA 142 Ca 0.04 -3.98 0.02 0.00 0.00 0.00 0.00 53.44 49.51 2ri4 n ALA 142 Cb 0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 2ri4 n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2ri4 n HIS 143 N 1.54 0.00 0.08 0.00 -0.00 -1.22 -4.25 115.22 111.37 2ri4 n HIS 143 Ca 0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.90 2ri4 n HIS 143 Cb 0.45 -0.06 0.06 0.00 -0.00 0.00 0.00 29.99 30.44 2ri4 n HIS 143 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ri4 h ARG 144 N 0.00 0.22 0.42 1.57 2.47 -1.84 -2.92 114.38 114.29 2ri4 h ARG 144 Ca 0.00 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 2ri4 h ARG 144 Cb 0.14 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2ri4 h ARG 144 CO 0.00 0.86 -0.20 1.88 0.56 0.00 0.00 179.97 183.07 2ri4 h TYR 145 N 0.14 -0.52 0.00 3.04 0.05 -1.87 -3.48 116.97 114.34 2ri4 h TYR 145 Ca -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2ri4 h TYR 145 Cb 1.30 0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2ri4 h TYR 145 CO 0.03 -0.21 0.00 0.72 -1.05 0.00 0.00 178.16 177.64