#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 s LEU 2 N 0.00 2.98 1.15 7.52 0.05 -1.26 -5.12 118.68 123.99 2ri4 s LEU 2 Ca 0.00 -0.67 -0.16 0.00 0.05 0.00 0.00 54.13 53.35 2ri4 s LEU 2 Cb 0.00 -1.58 0.26 0.00 -2.05 0.00 0.00 46.19 42.82 2ri4 s LEU 2 CO 0.00 0.06 1.06 -0.94 -0.55 0.00 0.00 176.35 175.98 2ri4 s SER 3 N -3.21 1.32 0.21 1.48 1.04 -1.26 -4.86 113.70 108.43 2ri4 s SER 3 Ca 0.28 1.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.69 2ri4 s SER 3 Cb -0.07 -1.59 0.17 0.00 0.10 0.00 0.00 66.02 64.62 2ri4 s SER 3 CO 0.17 -3.92 1.70 0.00 0.98 0.00 0.00 173.24 172.16 2ri4 h ALA 4 N -2.44 0.95 0.00 5.32 0.00 -2.00 -2.33 119.26 118.76 2ri4 h ALA 4 Ca -0.53 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2ri4 h ALA 4 Cb 1.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ri4 h ALA 4 CO 0.47 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.36 2ri4 n ALA 5 N -2.47 1.59 -0.08 0.00 0.00 -1.26 -2.50 120.51 115.79 2ri4 n ALA 5 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2ri4 n ALA 5 Cb 0.31 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2ri4 n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ri4 n ASP 6 N -1.33 1.86 -0.28 0.00 8.00 -0.89 -2.65 116.55 121.26 2ri4 n ASP 6 Ca 0.04 0.52 0.27 0.00 0.71 0.00 0.00 54.79 56.34 2ri4 n ASP 6 Cb 0.09 -0.83 0.51 0.00 -0.02 0.00 0.00 41.12 40.86 2ri4 n ASP 6 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ri4 n LYS 7 N -4.56 -0.05 0.26 -1.24 5.02 -1.13 -0.76 118.16 115.70 2ri4 n LYS 7 Ca -0.10 1.20 -0.11 0.00 -2.02 0.00 0.00 58.31 57.27 2ri4 n LYS 7 Cb 0.37 -2.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 2ri4 n LYS 7 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2ri4 h SER 8 N 0.00 -0.61 -1.01 4.39 0.02 -1.63 -1.82 113.55 112.88 2ri4 h SER 8 Ca 0.73 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.94 2ri4 h SER 8 Cb 1.93 0.16 -0.10 0.00 0.14 0.00 0.00 62.40 64.53 2ri4 h SER 8 CO -0.67 -0.20 0.63 0.78 -1.14 0.00 0.00 176.83 176.22 2ri4 h ASN 9 N -1.19 0.60 0.79 3.07 2.35 -0.71 0.44 115.58 120.93 2ri4 h ASN 9 Ca -0.07 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2ri4 h ASN 9 Cb 0.56 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 2ri4 h ASN 9 CO 0.12 0.15 -0.38 0.58 -1.65 0.00 0.00 177.43 176.25 2ri4 h VAL 10 N 0.55 0.00 0.00 2.81 2.07 -1.17 0.08 116.25 120.59 2ri4 h VAL 10 Ca 0.59 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2ri4 h VAL 10 Cb 1.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2ri4 h VAL 10 CO -0.36 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.52 2ri4 n LYS 11 N -5.18 0.07 0.02 1.57 5.02 -0.14 -1.29 118.16 118.22 2ri4 n LYS 11 Ca -0.13 0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 2ri4 n LYS 11 Cb 0.42 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 2ri4 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ri4 h ALA 12 N 2.12 0.44 -0.13 7.82 0.00 0.00 -3.29 119.26 126.23 2ri4 h ALA 12 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 54.91 53.40 2ri4 h ALA 12 Cb 0.09 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2ri4 h ALA 12 CO 0.00 1.30 -0.60 0.00 0.00 0.00 0.00 179.25 179.95 2ri4 h ALA 13 N 0.30 0.24 0.00 0.00 0.00 0.39 -3.31 119.26 116.88 2ri4 h ALA 13 Ca -0.36 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 2ri4 h ALA 13 Cb 2.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2ri4 h ALA 13 CO 0.11 0.50 -0.52 2.35 0.00 0.00 0.00 179.25 181.69 2ri4 h TRP 14 N 0.29 0.00 0.34 0.00 2.91 -1.47 -1.44 115.95 116.58 2ri4 h TRP 14 Ca -0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 2ri4 h TRP 14 Cb 1.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 2ri4 h TRP 14 CO 0.10 0.48 -0.23 0.78 -1.03 0.00 0.00 178.44 178.54 2ri4 h GLY 15 N 3.53 -0.58 1.24 2.65 0.00 -1.70 -1.72 103.07 106.50 2ri4 h GLY 15 Ca -0.01 0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.68 2ri4 h GLY 15 CO 0.06 -0.23 0.28 0.50 0.00 0.00 0.00 176.54 177.16 2ri4 h LYS 16 N -0.56 0.00 -0.21 4.80 1.79 -1.59 -2.23 116.57 118.57 2ri4 h LYS 16 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2ri4 h LYS 16 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2ri4 h LYS 16 CO 0.02 0.00 0.01 0.28 -1.08 0.00 0.00 179.45 178.68 2ri4 h VAL 17 N 0.00 1.24 -1.15 0.50 2.07 -0.43 -3.47 116.25 115.02 2ri4 h VAL 17 Ca 0.17 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2ri4 h VAL 17 Cb 0.73 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2ri4 h VAL 17 CO -0.00 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.45 2ri4 n GLY 18 N -0.36 0.28 0.00 2.17 0.00 -0.73 -2.96 105.19 103.59 2ri4 n GLY 18 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2ri4 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ri4 n GLY 19 N 0.00 0.00 0.08 -0.02 0.00 -1.26 0.41 105.19 104.41 2ri4 n GLY 19 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2ri4 n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ri4 n ASN 20 N -0.21 0.02 0.00 1.61 3.02 -1.15 -4.63 115.26 113.92 2ri4 n ASN 20 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2ri4 n ASN 20 Cb 0.00 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 2ri4 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ri4 n ALA 21 N -2.65 0.00 0.00 5.41 0.00 0.17 0.15 120.51 123.59 2ri4 n ALA 21 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2ri4 n ALA 21 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2ri4 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ri4 n GLY 22 N -0.67 0.00 0.22 0.00 0.00 -1.26 -0.29 105.19 103.19 2ri4 n GLY 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ri4 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ri4 h ALA 23 N 0.00 0.61 -0.21 4.61 0.00 0.11 -2.75 119.26 121.64 2ri4 h ALA 23 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ri4 h ALA 23 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ri4 h ALA 23 CO 0.00 0.25 0.11 1.88 0.00 0.00 0.00 179.25 181.50 2ri4 h TYR 24 N 0.62 0.29 -0.67 0.00 0.05 -0.54 0.46 116.97 117.18 2ri4 h TYR 24 Ca 0.15 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.06 2ri4 h TYR 24 Cb 0.25 -0.09 -0.12 0.00 1.01 0.00 0.00 36.73 37.77 2ri4 h TYR 24 CO 0.01 0.27 -0.10 0.78 -1.05 0.00 0.00 178.16 178.07 2ri4 h GLY 25 N 0.23 0.59 1.80 3.88 0.00 -1.54 1.36 103.07 109.38 2ri4 h GLY 25 Ca 0.07 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.60 2ri4 h GLY 25 CO -0.01 -0.25 0.07 0.00 0.00 0.00 0.00 176.54 176.35 2ri4 h ALA 26 N 1.65 2.03 0.00 3.60 0.00 0.12 -1.73 119.26 124.93 2ri4 h ALA 26 Ca 0.34 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 2ri4 h ALA 26 Cb 0.54 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2ri4 h ALA 26 CO -0.64 -0.13 -2.00 -1.91 0.00 0.00 0.00 179.25 174.57 2ri4 n GLU 27 N -4.41 0.66 -0.14 0.00 2.13 0.03 -2.30 120.64 116.61 2ri4 n GLU 27 Ca -0.01 0.13 -0.05 0.00 0.66 0.00 0.00 57.16 57.89 2ri4 n GLU 27 Cb 0.19 -1.66 0.03 0.00 0.27 0.00 0.00 31.44 30.27 2ri4 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ri4 h ALA 28 N 1.10 0.54 0.26 4.31 0.00 0.24 -1.39 119.26 124.31 2ri4 h ALA 28 Ca -0.38 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2ri4 h ALA 28 Cb 2.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2ri4 h ALA 28 CO 0.05 -0.17 -0.12 -0.07 0.00 0.00 0.00 179.25 178.94 2ri4 h LEU 29 N 0.40 -0.29 -0.89 0.00 3.38 -1.41 0.31 115.31 116.81 2ri4 h LEU 29 Ca 0.19 -0.24 0.24 0.00 0.09 0.00 0.00 57.88 58.17 2ri4 h LEU 29 Cb 0.13 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 2ri4 h LEU 29 CO -0.15 0.15 0.18 -0.08 0.09 0.00 0.00 178.44 178.63 2ri4 h GLU 30 N -0.83 0.15 0.00 1.13 4.81 -1.52 0.22 114.58 118.53 2ri4 h GLU 30 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2ri4 h GLU 30 Cb 0.51 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2ri4 h GLU 30 CO 0.06 0.10 0.00 -0.09 -0.73 0.00 0.00 179.01 178.35 2ri4 h ARG 31 N 0.15 0.00 0.00 1.92 2.43 -0.88 -2.73 114.38 115.27 2ri4 h ARG 31 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2ri4 h ARG 31 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2ri4 h ARG 31 CO -0.71 0.00 -0.23 1.98 -1.51 0.00 0.00 179.97 179.50 2ri4 h MET 32 N 0.00 0.00 0.00 0.20 4.05 0.16 -3.23 114.93 116.11 2ri4 h MET 32 Ca 0.00 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.12 2ri4 h MET 32 Cb 0.79 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 2ri4 h MET 32 CO 0.00 0.00 -2.12 1.19 0.23 0.00 0.00 176.91 176.21 2ri4 n PHE 33 N -2.24 0.00 0.02 1.39 3.72 -0.92 -1.31 117.46 118.12 2ri4 n PHE 33 Ca 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2ri4 n PHE 33 Cb 0.44 -0.80 -0.10 0.00 -0.94 0.00 0.00 39.48 38.08 2ri4 n PHE 33 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ri4 h LEU 34 N 0.00 0.00 0.12 4.37 3.38 -1.73 -3.29 115.31 118.16 2ri4 h LEU 34 Ca -0.44 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.26 2ri4 h LEU 34 Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 2ri4 h LEU 34 CO 0.01 0.69 -1.36 0.28 0.09 0.00 0.00 178.44 178.15 2ri4 h SER 35 N 0.00 0.40 -2.82 -0.43 0.02 -1.70 -3.41 113.55 105.61 2ri4 h SER 35 Ca -0.19 -0.86 -0.61 0.00 -0.84 0.00 0.00 61.79 59.29 2ri4 h SER 35 Cb 1.69 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.70 2ri4 h SER 35 CO 0.06 1.60 -0.74 -0.36 -1.14 0.00 0.00 176.83 176.24 2ri4 s PHE 36 N -2.47 2.51 0.36 3.45 0.08 -0.42 -4.99 117.98 116.49 2ri4 s PHE 36 Ca -0.19 -2.90 0.07 0.00 0.12 0.00 0.00 56.93 54.03 2ri4 s PHE 36 Cb 0.04 -1.95 0.76 0.00 -0.57 0.00 0.00 43.02 41.30 2ri4 s PHE 36 CO 0.77 -0.67 1.94 -1.00 -0.10 0.00 0.00 175.22 176.17 2ri4 h PRO 37 N 5.54 0.72 0.00 0.24 0.13 -1.76 0.24 132.00 137.11 2ri4 h PRO 37 Ca 0.19 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ri4 h PRO 37 Cb 0.82 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2ri4 h PRO 37 CO 0.57 0.47 0.00 0.25 -0.23 0.00 0.00 178.00 179.06 2ri4 n THR 38 N -4.49 1.91 -0.07 1.56 -2.24 -1.26 0.19 114.28 109.88 2ri4 n THR 38 Ca 0.12 0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 62.25 2ri4 n THR 38 Cb 0.27 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 2ri4 n THR 38 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ri4 h THR 39 N 0.00 1.32 -1.38 4.28 2.02 -0.81 -3.32 112.91 115.02 2ri4 h THR 39 Ca 0.00 -1.33 0.47 0.00 0.77 0.00 0.00 66.41 66.32 2ri4 h THR 39 Cb 0.00 1.71 -0.13 0.00 -1.74 0.00 0.00 68.15 67.99 2ri4 h THR 39 CO 0.00 0.41 0.90 0.29 0.37 0.00 0.00 175.52 177.48 2ri4 n LYS 40 N -4.45 -0.03 0.00 6.66 5.02 0.51 -1.73 118.16 124.15 2ri4 n LYS 40 Ca -0.05 1.19 0.06 0.00 -2.02 0.00 0.00 58.31 57.49 2ri4 n LYS 40 Cb 0.39 -2.38 0.29 0.00 -0.02 0.00 0.00 35.03 33.32 2ri4 n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ri4 n THR 41 N -4.56 0.95 1.01 -0.18 -2.24 -1.25 -0.84 114.28 107.18 2ri4 n THR 41 Ca 0.39 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.54 2ri4 n THR 41 Cb 1.55 -1.02 0.50 0.00 -2.10 0.00 0.00 70.33 69.26 2ri4 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2ri4 n TYR 42 N -1.42 0.00 -2.73 4.78 4.01 -0.70 -4.22 117.16 116.87 2ri4 n TYR 42 Ca 0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 2ri4 n TYR 42 Cb 0.13 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.73 2ri4 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ri4 n PHE 43 N -1.49 3.48 -0.01 -0.72 3.01 -0.02 -4.95 117.46 116.76 2ri4 n PHE 43 Ca 0.07 -3.55 -0.10 0.00 1.01 0.00 0.00 57.45 54.88 2ri4 n PHE 43 Cb 0.34 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 2ri4 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2ri4 h PRO 44 N 2.80 -0.31 -2.76 -1.08 0.13 -1.73 -3.21 132.00 125.83 2ri4 h PRO 44 Ca 0.19 0.02 -0.78 0.00 -0.87 0.00 0.00 66.00 64.57 2ri4 h PRO 44 Cb 0.74 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 31.64 2ri4 h PRO 44 CO 0.80 -0.21 0.59 0.72 -0.23 0.00 0.00 178.00 179.68 2ri4 n HIS 45 N -5.38 2.47 -3.53 1.56 8.25 -1.26 -4.88 115.22 112.44 2ri4 n HIS 45 Ca -0.02 -2.80 -0.03 0.00 -0.26 0.00 0.00 57.72 54.60 2ri4 n HIS 45 Cb 0.30 -1.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.21 2ri4 n HIS 45 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2ri4 s PHE 46 N -2.86 -1.19 -0.24 4.41 5.36 -1.22 -5.12 117.98 117.12 2ri4 s PHE 46 Ca 0.33 1.86 -0.34 0.00 -0.96 0.00 0.00 56.93 57.82 2ri4 s PHE 46 Cb 0.07 0.55 -0.11 0.00 -0.34 0.00 0.00 43.02 43.20 2ri4 s PHE 46 CO 0.08 -0.66 2.06 -3.47 -1.46 0.00 0.00 175.22 171.76 2ri4 n ASP 47 N 5.42 2.78 -1.57 6.13 2.03 -1.26 -4.85 116.55 125.23 2ri4 n ASP 47 Ca -0.08 0.62 -0.09 0.00 0.52 0.00 0.00 54.79 55.76 2ri4 n ASP 47 Cb 0.50 -1.33 0.09 0.00 -0.72 0.00 0.00 41.12 39.65 2ri4 n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ri4 n LEU 48 N 8.71 3.55 -4.43 -2.67 7.99 -1.26 -4.14 117.00 124.75 2ri4 n LEU 48 Ca 0.32 -4.09 -0.28 0.00 -0.01 0.00 0.00 56.01 51.95 2ri4 n LEU 48 Cb 0.28 -0.30 -0.12 0.00 -0.11 0.00 0.00 43.42 43.16 2ri4 n LEU 48 CO 0.74 1.64 -0.54 -0.94 -1.51 0.00 0.00 177.39 176.79 2ri4 s SER 49 N -3.38 3.49 0.06 -1.43 1.04 -1.26 -5.07 113.70 107.15 2ri4 s SER 49 Ca 0.43 -0.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.78 2ri4 s SER 49 Cb 0.39 -0.30 -0.17 0.00 0.10 0.00 0.00 66.02 66.03 2ri4 s SER 49 CO -0.02 0.15 0.77 1.57 0.98 0.00 0.00 173.24 176.69 2ri4 n HIS 50 N 0.59 0.22 -0.81 5.02 -0.00 -1.26 -2.81 115.22 116.16 2ri4 n HIS 50 Ca -0.15 0.90 0.00 0.00 0.46 0.00 0.00 57.72 58.93 2ri4 n HIS 50 Cb 0.54 -1.80 0.00 0.00 -0.12 0.00 0.00 29.99 28.62 2ri4 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ri4 n GLY 51 N 1.47 0.61 3.75 1.57 0.00 -1.26 -5.02 105.19 106.31 2ri4 n GLY 51 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2ri4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ri4 s SER 52 N -2.05 7.05 0.34 1.61 0.01 -1.13 -4.88 113.70 114.66 2ri4 s SER 52 Ca 0.00 2.37 0.14 0.00 1.31 0.00 0.00 55.95 59.77 2ri4 s SER 52 Cb 0.00 -2.62 1.05 0.00 0.21 0.00 0.00 66.02 64.66 2ri4 s SER 52 CO 0.00 -0.35 1.68 0.00 0.41 0.00 0.00 173.24 174.98 2ri4 h ALA 53 N 4.38 1.96 0.08 1.44 0.00 -1.92 0.46 119.26 125.66 2ri4 h ALA 53 Ca -0.46 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ri4 h ALA 53 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ri4 h ALA 53 CO 0.70 -0.53 -0.04 1.96 0.00 0.00 0.00 179.25 181.34 2ri4 h GLN 54 N 0.39 -0.10 -0.93 0.00 4.20 -1.93 -1.07 115.11 115.67 2ri4 h GLN 54 Ca 0.71 0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.59 2ri4 h GLN 54 Cb 1.59 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 29.23 2ri4 h GLN 54 CO -0.55 -0.07 -0.30 0.28 -0.67 0.00 0.00 178.83 177.52 2ri4 n VAL 55 N -4.56 -0.44 0.00 -0.54 0.31 -0.91 -0.19 118.33 112.01 2ri4 n VAL 55 Ca -0.01 2.15 0.00 0.00 -0.01 0.00 0.00 64.34 66.47 2ri4 n VAL 55 Cb 0.04 -2.91 0.00 0.00 -0.91 0.00 0.00 33.84 30.06 2ri4 n VAL 55 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2ri4 n LYS 56 N -5.44 0.00 -0.02 5.55 4.01 0.16 -3.16 118.16 119.25 2ri4 n LYS 56 Ca 0.12 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.95 2ri4 n LYS 56 Cb 0.42 -0.12 0.05 0.00 -0.51 0.00 0.00 35.03 34.86 2ri4 n LYS 56 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ri4 n GLY 57 N 0.00 -0.06 0.23 0.72 0.00 -0.40 0.12 105.19 105.81 2ri4 n GLY 57 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2ri4 n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ri4 h HIS 58 N 0.00 0.93 -0.38 1.61 -0.00 -0.71 -3.19 115.15 113.42 2ri4 h HIS 58 Ca 0.06 -0.33 0.08 0.00 -0.00 0.00 0.00 60.37 60.19 2ri4 h HIS 58 Cb 0.17 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.32 2ri4 h HIS 58 CO -0.00 1.11 -0.16 0.78 -0.00 0.00 0.00 177.93 179.66 2ri4 h GLY 59 N 0.86 0.14 -0.82 5.26 0.00 0.10 -0.23 103.07 108.38 2ri4 h GLY 59 Ca 0.02 0.21 0.17 0.00 0.00 0.00 0.00 47.33 47.73 2ri4 h GLY 59 CO 0.11 -0.18 -0.26 0.83 0.00 0.00 0.00 176.54 177.04 2ri4 h GLU 60 N -0.09 -0.01 -0.01 4.80 5.08 -1.57 0.53 114.58 123.30 2ri4 h GLU 60 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2ri4 h GLU 60 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ri4 h GLU 60 CO -0.44 -0.01 0.01 0.87 -1.00 0.00 0.00 179.01 178.44 2ri4 h LYS 61 N -0.01 0.02 -0.00 2.33 1.57 -1.32 0.65 116.57 119.81 2ri4 h LYS 61 Ca 0.41 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.20 2ri4 h LYS 61 Cb 0.64 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2ri4 h LYS 61 CO -0.93 0.17 -0.07 0.28 -0.57 0.00 0.00 179.45 178.34 2ri4 h VAL 62 N -0.13 0.82 -0.37 0.50 2.07 0.43 -1.13 116.25 118.43 2ri4 h VAL 62 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2ri4 h VAL 62 Cb 0.16 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2ri4 h VAL 62 CO -0.00 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.76 2ri4 h ALA 63 N 0.87 0.48 0.00 1.67 0.00 0.05 -1.24 119.26 121.09 2ri4 h ALA 63 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ri4 h ALA 63 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ri4 h ALA 63 CO -0.07 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.24 2ri4 n ALA 64 N -2.28 1.07 0.05 0.00 0.00 0.23 -1.43 120.51 118.15 2ri4 n ALA 64 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.62 2ri4 n ALA 64 Cb 0.12 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 2ri4 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n ALA 65 N -1.73 2.09 0.05 0.00 0.00 -0.45 -2.69 120.51 117.77 2ri4 n ALA 65 Ca -0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 2ri4 n ALA 65 Cb 0.04 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2ri4 n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ri4 h LEU 66 N 0.00 0.34 -0.51 0.00 3.38 -1.19 -2.81 115.31 114.53 2ri4 h LEU 66 Ca -0.12 -0.52 0.10 0.00 0.09 0.00 0.00 57.88 57.42 2ri4 h LEU 66 Cb 1.44 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 2ri4 h LEU 66 CO 0.03 1.44 0.05 0.74 0.09 0.00 0.00 178.44 180.79 2ri4 h THR 67 N 0.06 0.65 -0.18 0.22 2.02 -1.35 0.58 112.91 114.91 2ri4 h THR 67 Ca -0.26 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2ri4 h THR 67 Cb 2.01 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2ri4 h THR 67 CO 0.14 0.03 0.11 0.50 0.37 0.00 0.00 175.52 176.68 2ri4 h LYS 68 N 0.17 0.22 0.27 6.66 3.64 -1.64 -2.81 116.57 123.09 2ri4 h LYS 68 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2ri4 h LYS 68 Cb 0.38 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 2ri4 h LYS 68 CO -0.39 0.15 -0.52 0.00 -2.27 0.00 0.00 179.45 176.42 2ri4 h ALA 69 N 1.07 -1.06 -0.74 5.00 0.00 -0.43 0.26 119.26 123.36 2ri4 h ALA 69 Ca 0.07 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2ri4 h ALA 69 Cb -0.02 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2ri4 h ALA 69 CO -0.02 -1.15 -0.46 0.28 0.00 0.00 0.00 179.25 177.90 2ri4 h VAL 70 N -0.85 0.05 -0.65 0.00 2.07 -0.08 -0.95 116.25 115.83 2ri4 h VAL 70 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 2ri4 h VAL 70 Cb 0.80 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 2ri4 h VAL 70 CO -0.20 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.66 2ri4 h GLY 71 N -0.14 0.74 -3.60 2.17 0.00 -1.18 -2.77 103.07 98.30 2ri4 h GLY 71 Ca 0.21 0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.35 2ri4 h GLY 71 CO -0.80 -0.21 0.30 1.42 0.00 0.00 0.00 176.54 177.26 2ri4 n HIS 72 N -5.26 2.45 0.29 5.60 -0.00 0.04 -4.80 115.22 113.54 2ri4 n HIS 72 Ca 0.10 -1.29 0.05 0.00 -0.00 0.00 0.00 57.72 56.58 2ri4 n HIS 72 Cb 0.38 -0.70 0.17 0.00 -0.00 0.00 0.00 29.99 29.84 2ri4 n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2ri4 h LEU 73 N 2.40 0.00 0.14 2.41 3.38 -0.91 -1.72 115.31 121.01 2ri4 h LEU 73 Ca 0.30 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.95 2ri4 h LEU 73 Cb 2.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.11 2ri4 h LEU 73 CO 0.76 0.00 -1.60 -0.78 0.09 0.00 0.00 178.44 176.91 2ri4 h ASP 74 N 0.00 0.48 -3.15 -0.43 3.58 -1.87 -3.38 116.42 111.65 2ri4 h ASP 74 Ca 0.04 -0.67 -0.62 0.00 0.42 0.00 0.00 57.03 56.20 2ri4 h ASP 74 Cb 1.85 -0.16 -0.41 0.00 1.72 0.00 0.00 39.33 42.33 2ri4 h ASP 74 CO -0.00 1.56 -0.68 -0.62 -2.88 0.00 0.00 179.24 176.62 2ri4 s ASP 75 N -7.09 3.93 0.51 2.28 2.15 -0.65 -4.93 116.67 112.86 2ri4 s ASP 75 Ca -0.11 -3.44 0.27 0.00 0.43 0.00 0.00 52.55 49.71 2ri4 s ASP 75 Cb 0.06 -1.31 1.34 0.00 -0.30 0.00 0.00 42.92 42.71 2ri4 s ASP 75 CO 0.86 -0.14 2.01 -0.07 -0.17 0.00 0.00 175.17 177.66 2ri4 h LEU 76 N 5.75 0.00 0.27 -1.34 3.38 -1.75 -2.94 115.31 118.67 2ri4 h LEU 76 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ri4 h LEU 76 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2ri4 h LEU 76 CO 0.61 0.14 -0.44 -0.65 0.09 0.00 0.00 178.44 178.20 2ri4 h PRO 77 N 0.00 -0.72 0.00 1.13 0.11 -1.94 -2.63 132.00 127.95 2ri4 h PRO 77 Ca -0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2ri4 h PRO 77 Cb 0.44 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2ri4 h PRO 77 CO 0.02 -0.48 0.00 0.41 -0.21 0.00 0.00 178.00 177.74 2ri4 n GLY 78 N -1.44 -1.37 0.09 -0.55 0.00 -1.13 -1.52 105.19 99.27 2ri4 n GLY 78 Ca -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2ri4 n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ri4 n THR 79 N -2.22 1.63 0.66 2.61 -1.04 -1.14 -4.28 114.28 110.50 2ri4 n THR 79 Ca 0.03 -0.77 0.12 0.00 -2.04 0.00 0.00 64.05 61.38 2ri4 n THR 79 Cb 0.28 -1.14 0.15 0.00 -1.82 0.00 0.00 70.33 67.80 2ri4 n THR 79 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ri4 n LEU 80 N -3.11 3.17 -0.41 -4.42 4.77 -0.99 -4.61 117.00 111.40 2ri4 n LEU 80 Ca -0.21 -1.23 0.37 0.00 -0.03 0.00 0.00 56.01 54.91 2ri4 n LEU 80 Cb 1.06 -0.11 0.64 0.00 -2.33 0.00 0.00 43.42 42.67 2ri4 n LEU 80 CO 0.44 0.61 1.16 -1.28 -1.33 0.00 0.00 177.39 176.99 2ri4 h SER 81 N 4.49 0.25 1.99 -1.43 0.87 -1.46 0.91 113.55 119.17 2ri4 h SER 81 Ca 0.00 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2ri4 h SER 81 Cb 0.97 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2ri4 h SER 81 CO 0.00 -0.34 -0.01 0.44 -0.53 0.00 0.00 176.83 176.40 2ri4 h ASP 82 N 0.01 0.00 0.13 6.23 3.32 -1.89 -3.18 116.42 121.03 2ri4 h ASP 82 Ca 0.87 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.55 2ri4 h ASP 82 Cb 2.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 42.12 2ri4 h ASP 82 CO -0.60 0.01 -1.99 0.18 -1.72 0.00 0.00 179.24 175.12 2ri4 n LEU 83 N -3.10 2.62 0.00 1.55 7.99 0.31 -2.21 117.00 124.17 2ri4 n LEU 83 Ca 0.04 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2ri4 n LEU 83 Cb 0.53 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 2ri4 n LEU 83 CO 0.34 0.85 0.31 -1.20 -1.51 0.00 0.00 177.39 176.19 2ri4 n SER 84 N -3.48 0.00 0.00 -1.43 7.64 -0.89 0.12 113.62 115.57 2ri4 n SER 84 Ca -0.32 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2ri4 n SER 84 Cb 1.05 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2ri4 n SER 84 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ri4 n ASP 85 N -1.10 0.00 0.00 6.43 -0.08 -1.20 0.27 116.55 120.87 2ri4 n ASP 85 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 2ri4 n ASP 85 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 2ri4 n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2ri4 h LEU 86 N 0.00 0.32 0.00 -2.67 5.85 -0.77 -2.61 115.31 115.43 2ri4 h LEU 86 Ca 0.00 -0.90 -0.18 0.00 0.84 0.00 0.00 57.88 57.64 2ri4 h LEU 86 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2ri4 h LEU 86 CO 0.00 1.40 -1.27 0.45 -0.34 0.00 0.00 178.44 178.67 2ri4 h HIS 87 N -0.51 0.00 0.00 1.25 3.86 0.72 -0.59 115.15 119.88 2ri4 h HIS 87 Ca -0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2ri4 h HIS 87 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2ri4 h HIS 87 CO 0.18 0.67 -0.10 0.00 0.86 0.00 0.00 177.93 179.54 2ri4 h ALA 88 N 1.33 0.00 0.04 2.45 0.00 0.40 0.30 119.26 123.79 2ri4 h ALA 88 Ca -0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ri4 h ALA 88 Cb 1.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2ri4 h ALA 88 CO 0.06 0.10 -0.02 1.25 0.00 0.00 0.00 179.25 180.64 2ri4 h HIS 89 N -0.53 -0.05 0.32 0.00 -0.00 -1.59 -3.15 115.15 110.14 2ri4 h HIS 89 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2ri4 h HIS 89 Cb 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2ri4 h HIS 89 CO -0.04 0.40 -0.15 0.87 -0.00 0.00 0.00 177.93 179.00 2ri4 h LYS 90 N -0.98 -0.41 0.00 5.26 1.79 -1.56 -3.38 116.57 117.29 2ri4 h LYS 90 Ca -0.01 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2ri4 h LYS 90 Cb 0.47 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2ri4 h LYS 90 CO 0.01 -0.10 -1.63 1.28 -1.08 0.00 0.00 179.45 177.92 2ri4 n LEU 91 N -5.07 0.46 -3.55 2.94 4.77 -0.23 -5.00 117.00 111.32 2ri4 n LEU 91 Ca -0.08 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 2ri4 n LEU 91 Cb 0.25 0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2ri4 n LEU 91 CO 0.23 0.06 -0.02 0.54 -1.33 0.00 0.00 177.39 176.88 2ri4 n ARG 92 N -2.61 -1.38 -2.57 3.23 1.74 -0.59 -4.90 116.66 109.58 2ri4 n ARG 92 Ca -0.09 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 2ri4 n ARG 92 Cb 0.72 -4.34 -0.03 0.00 -1.02 0.00 0.00 32.46 27.80 2ri4 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ri4 s VAL 93 N -3.33 4.49 -0.27 1.55 1.01 -0.01 -4.97 120.40 118.88 2ri4 s VAL 93 Ca 0.35 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.83 2ri4 s VAL 93 Cb -0.11 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2ri4 s VAL 93 CO 0.84 0.02 1.61 -0.62 0.00 0.00 0.00 175.10 176.94 2ri4 s ASP 94 N 1.27 6.29 0.32 3.32 3.68 -1.26 -4.83 116.67 125.46 2ri4 s ASP 94 Ca 0.53 1.42 0.04 0.00 2.13 0.00 0.00 52.55 56.67 2ri4 s ASP 94 Cb -0.22 -2.53 0.23 0.00 -1.45 0.00 0.00 42.92 38.94 2ri4 s ASP 94 CO 0.21 -1.37 0.92 -2.65 0.13 0.00 0.00 175.17 172.41 2ri4 n PRO 95 N 7.86 0.04 0.16 4.34 -0.02 -1.26 0.18 135.00 146.29 2ri4 n PRO 95 Ca 0.19 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 2ri4 n PRO 95 Cb 0.46 -2.21 0.36 0.00 -0.02 0.00 0.00 33.50 32.08 2ri4 n PRO 95 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2ri4 h VAL 96 N 0.00 0.00 0.06 -1.45 -1.51 -2.00 -2.83 116.25 108.52 2ri4 h VAL 96 Ca 0.00 -0.63 -0.24 0.00 -1.23 0.00 0.00 66.70 64.60 2ri4 h VAL 96 Cb 1.20 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.94 2ri4 h VAL 96 CO 0.00 0.00 -1.10 0.78 -1.23 0.00 0.00 177.57 176.02 2ri4 h ASN 97 N 0.00 0.23 0.04 4.19 4.21 -0.63 -3.15 115.58 120.48 2ri4 h ASN 97 Ca 0.00 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2ri4 h ASN 97 Cb 0.77 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2ri4 h ASN 97 CO 0.00 1.17 0.00 0.49 -1.29 0.00 0.00 177.43 177.80 2ri4 n PHE 98 N -3.48 0.00 0.00 1.19 3.72 -1.07 -2.07 117.46 115.76 2ri4 n PHE 98 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2ri4 n PHE 98 Cb 0.96 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 2ri4 n PHE 98 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2ri4 n LYS 99 N -1.21 3.47 -0.00 -1.08 4.81 -1.22 -3.30 118.16 119.63 2ri4 n LYS 99 Ca 0.02 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 2ri4 n LYS 99 Cb 0.02 -0.41 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 2ri4 n LYS 99 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2ri4 n LEU 100 N -0.61 0.62 -0.02 3.14 -0.00 -1.00 -3.75 117.00 115.38 2ri4 n LEU 100 Ca 0.00 -0.46 -0.18 0.00 -0.00 0.00 0.00 56.01 55.37 2ri4 n LEU 100 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2ri4 n LEU 100 CO 0.00 0.16 0.26 0.25 -0.00 0.00 0.00 177.39 178.06 2ri4 h LEU 101 N 0.00 0.93 -2.35 1.47 5.85 -1.62 -3.24 115.31 116.36 2ri4 h LEU 101 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2ri4 h LEU 101 Cb 0.36 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2ri4 h LEU 101 CO 0.00 1.42 0.00 0.28 -0.34 0.00 0.00 178.44 179.80 2ri4 h SER 102 N 0.51 0.00 0.03 1.25 0.02 -1.68 -0.53 113.55 113.16 2ri4 h SER 102 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2ri4 h SER 102 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2ri4 h SER 102 CO 0.16 0.00 -1.48 1.57 -1.14 0.00 0.00 176.83 175.94 2ri4 n HIS 103 N -2.91 0.02 0.06 3.45 -0.00 -1.25 -3.30 115.22 111.30 2ri4 n HIS 103 Ca -0.02 0.01 0.07 0.00 -0.00 0.00 0.00 57.72 57.78 2ri4 n HIS 103 Cb 0.12 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.99 29.78 2ri4 n HIS 103 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2ri4 n SER 104 N -1.90 0.70 0.17 0.26 7.64 -0.33 -1.28 113.62 118.88 2ri4 n SER 104 Ca 0.00 0.28 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 2ri4 n SER 104 Cb 0.45 0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 64.17 2ri4 n SER 104 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ri4 h LEU 105 N 0.00 -0.34 -0.12 -3.43 3.38 -1.37 -2.88 115.31 110.55 2ri4 h LEU 105 Ca -0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ri4 h LEU 105 Cb 1.23 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2ri4 h LEU 105 CO 0.02 -0.10 0.06 -0.07 0.09 0.00 0.00 178.44 178.43 2ri4 h LEU 106 N -0.56 0.16 -1.25 1.67 3.38 -1.53 1.07 115.31 118.24 2ri4 h LEU 106 Ca -0.04 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.96 2ri4 h LEU 106 Cb 0.41 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2ri4 h LEU 106 CO 0.07 0.23 0.58 0.58 0.09 0.00 0.00 178.44 179.99 2ri4 h VAL 107 N 0.08 0.84 0.01 1.22 2.07 -1.36 0.26 116.25 119.37 2ri4 h VAL 107 Ca 0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2ri4 h VAL 107 Cb 0.11 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2ri4 h VAL 107 CO -0.01 0.13 -0.11 0.74 0.02 0.00 0.00 177.57 178.35 2ri4 h THR 108 N 0.73 1.65 -0.41 2.57 2.02 -0.51 -2.65 112.91 116.31 2ri4 h THR 108 Ca 0.46 -2.05 0.07 0.00 0.77 0.00 0.00 66.41 65.66 2ri4 h THR 108 Cb 0.71 3.02 -0.02 0.00 -1.74 0.00 0.00 68.15 70.11 2ri4 h THR 108 CO -0.22 0.54 0.28 -0.07 0.37 0.00 0.00 175.52 176.42 2ri4 h LEU 109 N -0.75 0.21 0.19 2.58 3.38 0.13 -3.26 115.31 117.79 2ri4 h LEU 109 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ri4 h LEU 109 Cb 0.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2ri4 h LEU 109 CO 0.02 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 178.59 2ri4 h ALA 110 N 1.79 -0.25 -0.72 1.53 0.00 -0.13 -0.70 119.26 120.78 2ri4 h ALA 110 Ca 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ri4 h ALA 110 Cb 0.43 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2ri4 h ALA 110 CO -0.03 -0.40 0.21 0.00 0.00 0.00 0.00 179.25 179.02 2ri4 h HIS 112 N 1.07 1.12 -1.96 0.00 -0.00 -1.63 -3.37 115.15 110.38 2ri4 h HIS 112 Ca 0.23 -0.25 -0.59 0.00 -0.00 0.00 0.00 60.37 59.75 2ri4 h HIS 112 Cb 0.33 -0.27 -0.42 0.00 -0.00 0.00 0.00 27.41 27.05 2ri4 h HIS 112 CO 0.03 1.07 -0.66 1.28 -0.00 0.00 0.00 177.93 179.64 2ri4 n LEU 113 N -4.12 4.62 -0.34 2.43 4.77 -0.27 -4.92 117.00 119.17 2ri4 n LEU 113 Ca 0.01 -5.48 0.26 0.00 -0.03 0.00 0.00 56.01 50.76 2ri4 n LEU 113 Cb 0.43 -0.52 0.55 0.00 -2.33 0.00 0.00 43.42 41.56 2ri4 n LEU 113 CO 0.46 2.30 1.23 1.55 -1.33 0.00 0.00 177.39 181.61 2ri4 h PRO 114 N 2.82 0.30 0.00 3.23 0.13 -1.70 0.88 132.00 137.66 2ri4 h PRO 114 Ca 0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2ri4 h PRO 114 Cb 0.68 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2ri4 h PRO 114 CO 0.84 0.20 -1.58 0.09 -0.23 0.00 0.00 178.00 177.32 2ri4 n ASN 115 N -4.59 0.34 -0.10 1.44 5.03 -1.26 -3.63 115.26 112.50 2ri4 n ASN 115 Ca 0.27 -0.12 0.12 0.00 0.87 0.00 0.00 54.58 55.72 2ri4 n ASN 115 Cb 0.99 1.46 0.25 0.00 -1.02 0.00 0.00 39.78 41.46 2ri4 n ASN 115 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ri4 n ASP 116 N -2.18 0.78 -3.77 6.41 8.00 0.13 -4.65 116.55 121.28 2ri4 n ASP 116 Ca -0.01 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.49 2ri4 n ASP 116 Cb 0.52 0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.92 2ri4 n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2ri4 n PHE 117 N -1.16 2.57 -2.49 1.24 7.35 -0.19 -4.85 117.46 119.92 2ri4 n PHE 117 Ca 0.08 -2.56 -0.31 0.00 -0.76 0.00 0.00 57.45 53.90 2ri4 n PHE 117 Cb 0.34 -1.22 -0.02 0.00 0.35 0.00 0.00 39.48 38.93 2ri4 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2ri4 s THR 118 N -3.77 4.70 0.31 -2.13 -4.23 -1.26 -4.75 115.64 104.51 2ri4 s THR 118 Ca 0.36 0.83 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 2ri4 s THR 118 Cb 0.14 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.60 2ri4 s THR 118 CO -0.04 -0.73 1.51 -2.65 -0.54 0.00 0.00 174.62 172.17 2ri4 n PRO 119 N -1.76 -0.07 0.23 3.99 -0.01 -1.26 -0.30 135.00 135.81 2ri4 n PRO 119 Ca 0.04 1.41 0.10 0.00 -0.01 0.00 0.00 63.50 65.04 2ri4 n PRO 119 Cb 0.54 -2.31 0.55 0.00 -0.01 0.00 0.00 33.50 32.27 2ri4 n PRO 119 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ri4 h ALA 120 N 1.92 1.17 0.11 3.55 0.00 -1.97 0.74 119.26 124.78 2ri4 h ALA 120 Ca 0.63 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.99 2ri4 h ALA 120 Cb 1.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2ri4 h ALA 120 CO -0.87 0.27 -1.97 0.28 0.00 0.00 0.00 179.25 176.96 2ri4 n VAL 121 N -3.60 1.76 -0.29 0.00 0.31 -0.06 -3.04 118.33 113.41 2ri4 n VAL 121 Ca -0.01 -0.62 -0.06 0.00 -0.01 0.00 0.00 64.34 63.64 2ri4 n VAL 121 Cb 0.35 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 2ri4 n VAL 121 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2ri4 h HIS 122 N 0.00 -1.27 -0.69 3.52 6.17 -0.19 -1.04 115.15 121.65 2ri4 h HIS 122 Ca -0.43 0.10 0.10 0.00 0.71 0.00 0.00 60.37 60.85 2ri4 h HIS 122 Cb 1.99 0.67 -0.08 0.00 2.52 0.00 0.00 27.41 32.51 2ri4 h HIS 122 CO 0.08 -0.41 0.31 0.00 0.71 0.00 0.00 177.93 178.62 2ri4 h ALA 123 N 0.88 0.94 0.00 5.26 0.00 0.44 -0.73 119.26 126.05 2ri4 h ALA 123 Ca 0.23 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2ri4 h ALA 123 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ri4 h ALA 123 CO -0.82 -0.12 -0.71 0.77 0.00 0.00 0.00 179.25 178.37 2ri4 h SER 124 N 0.52 0.00 0.98 0.00 0.02 -1.40 -3.11 113.55 110.56 2ri4 h SER 124 Ca 0.35 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.10 2ri4 h SER 124 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2ri4 h SER 124 CO -0.30 0.71 -1.06 -0.07 -1.14 0.00 0.00 176.83 174.97 2ri4 h LEU 125 N 0.00 0.00 0.76 5.07 3.38 0.18 0.12 115.31 124.82 2ri4 h LEU 125 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ri4 h LEU 125 Cb 1.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.25 2ri4 h LEU 125 CO 0.09 0.88 -0.37 -0.78 0.09 0.00 0.00 178.44 178.36 2ri4 h ASP 126 N 0.00 -0.87 -0.89 -0.43 3.58 -1.32 -0.86 116.42 115.63 2ri4 h ASP 126 Ca -0.07 0.01 0.21 0.00 0.42 0.00 0.00 57.03 57.61 2ri4 h ASP 126 Cb 1.73 0.22 -0.16 0.00 1.72 0.00 0.00 39.33 42.85 2ri4 h ASP 126 CO 0.10 -0.53 -0.04 0.11 -2.88 0.00 0.00 179.24 176.00 2ri4 h LYS 127 N -1.18 0.04 0.00 0.28 1.57 -1.55 2.39 116.57 118.13 2ri4 h LYS 127 Ca -0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2ri4 h LYS 127 Cb 0.80 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2ri4 h LYS 127 CO 0.17 0.03 0.00 0.34 -0.57 0.00 0.00 179.45 179.42 2ri4 n PHE 128 N -5.46 0.00 -0.47 -1.35 7.35 0.42 -2.32 117.46 115.64 2ri4 n PHE 128 Ca 0.18 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.26 2ri4 n PHE 128 Cb 0.58 -0.39 0.70 0.00 0.35 0.00 0.00 39.48 40.73 2ri4 n PHE 128 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ri4 h LEU 129 N 0.00 0.14 -1.59 -2.13 3.38 -1.04 0.32 115.31 114.40 2ri4 h LEU 129 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2ri4 h LEU 129 Cb 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ri4 h LEU 129 CO 0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 178.44 178.38 2ri4 h ALA 130 N 1.40 1.06 0.00 1.53 0.00 0.42 -3.00 119.26 120.67 2ri4 h ALA 130 Ca 0.76 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 55.28 2ri4 h ALA 130 Cb 2.67 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.40 2ri4 h ALA 130 CO -0.19 0.12 -2.11 -1.71 0.00 0.00 0.00 179.25 175.35 2ri4 n ASN 131 N -3.29 2.29 -0.14 0.00 4.05 0.88 -2.79 115.26 116.26 2ri4 n ASN 131 Ca -0.00 -0.03 -0.07 0.00 0.45 0.00 0.00 54.58 54.93 2ri4 n ASN 131 Cb 0.31 -0.37 -0.01 0.00 1.23 0.00 0.00 39.78 40.94 2ri4 n ASN 131 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2ri4 h VAL 132 N -0.15 0.23 -0.99 3.44 2.07 -1.01 0.57 116.25 120.41 2ri4 h VAL 132 Ca -0.45 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.33 2ri4 h VAL 132 Cb 1.63 0.23 -0.13 0.00 -1.52 0.00 0.00 31.29 31.50 2ri4 h VAL 132 CO -0.12 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.31 2ri4 h SER 133 N -0.22 0.60 -0.01 0.57 0.02 -1.62 0.42 113.55 113.30 2ri4 h SER 133 Ca 0.19 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2ri4 h SER 133 Cb 0.53 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2ri4 h SER 133 CO -0.57 0.04 -0.17 0.74 -1.14 0.00 0.00 176.83 175.73 2ri4 h THR 134 N 0.50 1.54 -0.25 -2.27 2.02 -0.93 -2.98 112.91 110.55 2ri4 h THR 134 Ca 0.66 -1.81 0.06 0.00 0.77 0.00 0.00 66.41 66.08 2ri4 h THR 134 Cb 1.31 2.68 -0.07 0.00 -1.74 0.00 0.00 68.15 70.33 2ri4 h THR 134 CO -0.51 0.49 -0.22 0.58 0.37 0.00 0.00 175.52 176.23 2ri4 h VAL 135 N -0.53 0.43 0.00 3.16 2.07 -0.49 -2.84 116.25 118.05 2ri4 h VAL 135 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2ri4 h VAL 135 Cb 0.89 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2ri4 h VAL 135 CO 0.03 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.56 2ri4 h LEU 136 N -0.22 0.00 -5.29 2.57 3.38 -0.91 -2.27 115.31 112.56 2ri4 h LEU 136 Ca 0.14 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.44 2ri4 h LEU 136 Cb 0.43 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.82 2ri4 h LEU 136 CO -0.38 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 178.45 2ri4 n THR 137 N -2.82 3.69 -4.65 0.22 -2.24 -1.07 -3.07 114.28 104.34 2ri4 n THR 137 Ca -0.02 -5.36 -0.29 0.00 -2.27 0.00 0.00 64.05 56.10 2ri4 n THR 137 Cb 0.07 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 2ri4 n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ri4 s SER 138 N -2.69 3.65 0.00 3.42 1.04 -0.86 -4.99 113.70 113.27 2ri4 s SER 138 Ca 0.47 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2ri4 s SER 138 Cb 0.31 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2ri4 s SER 138 CO -0.19 -0.71 0.00 0.29 0.98 0.00 0.00 173.24 173.61