#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 n SER 3 N 0.00 0.00 0.39 1.96 3.41 -1.26 -5.07 113.62 113.04 2ri4 n SER 3 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2ri4 n SER 3 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2ri4 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ri4 h ALA 4 N 0.00 -1.17 -0.82 7.33 0.00 -2.03 -2.94 119.26 119.64 2ri4 h ALA 4 Ca 0.00 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.86 2ri4 h ALA 4 Cb 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.02 2ri4 h ALA 4 CO 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 179.25 177.98 2ri4 n ALA 5 N -2.55 0.23 -1.00 0.00 0.00 -1.26 -3.11 120.51 112.82 2ri4 n ALA 5 Ca -0.12 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2ri4 n ALA 5 Cb 0.39 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -5.31 0.00 -0.03 0.00 8.00 -1.11 -3.79 116.55 114.31 2ri4 n ASP 6 Ca 0.14 0.23 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 2ri4 n ASP 6 Cb 0.44 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 2ri4 n ASP 6 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2ri4 n LYS 7 N -0.31 -0.03 -0.20 -1.24 2.85 -1.18 0.35 118.16 118.41 2ri4 n LYS 7 Ca 0.00 0.11 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 2ri4 n LYS 7 Cb 0.00 -0.16 0.10 0.00 -0.65 0.00 0.00 35.03 34.32 2ri4 n LYS 7 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2ri4 n SER 8 N -3.92 -0.16 0.11 -5.58 7.64 -1.25 0.10 113.62 110.56 2ri4 n SER 8 Ca 0.00 0.96 -0.11 0.00 1.01 0.00 0.00 58.87 60.73 2ri4 n SER 8 Cb 0.02 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2ri4 n SER 8 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2ri4 h ASN 9 N 0.00 -0.28 -0.36 6.43 -0.26 0.60 -0.60 115.58 121.11 2ri4 h ASN 9 Ca 0.29 -0.25 0.05 0.00 -0.56 0.00 0.00 56.30 55.84 2ri4 h ASN 9 Cb 0.49 0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 37.74 2ri4 h ASN 9 CO -0.56 0.21 -0.53 0.58 -1.06 0.00 0.00 177.43 176.06 2ri4 h VAL 10 N -0.89 0.03 0.00 2.81 2.07 0.24 3.15 116.25 123.65 2ri4 h VAL 10 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2ri4 h VAL 10 Cb 0.51 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2ri4 h VAL 10 CO 0.06 0.00 -0.26 0.07 0.02 0.00 0.00 177.57 177.46 2ri4 h LYS 11 N -0.41 0.00 0.55 1.57 2.10 0.53 0.45 116.57 121.36 2ri4 h LYS 11 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2ri4 h LYS 11 Cb 0.61 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.94 2ri4 h LYS 11 CO -0.57 0.26 -0.26 0.00 -2.00 0.00 0.00 179.45 176.88 2ri4 h ALA 12 N 1.74 -0.93 -1.40 0.07 0.00 -0.14 1.18 119.26 119.78 2ri4 h ALA 12 Ca -0.00 -0.16 0.43 0.00 0.00 0.00 0.00 54.91 55.17 2ri4 h ALA 12 Cb 0.93 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2ri4 h ALA 12 CO 0.03 -0.88 0.95 0.00 0.00 0.00 0.00 179.25 179.35 2ri4 h ALA 13 N -1.46 2.97 0.00 0.00 0.00 0.60 0.69 119.26 122.07 2ri4 h ALA 13 Ca -0.08 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2ri4 h ALA 13 Cb 0.57 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2ri4 h ALA 13 CO 0.12 -1.51 -1.30 2.35 0.00 0.00 0.00 179.25 178.91 2ri4 h TRP 14 N 0.09 0.00 -0.98 0.00 2.91 0.20 -3.20 115.95 114.98 2ri4 h TRP 14 Ca 0.78 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.82 2ri4 h TRP 14 Cb 2.64 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 31.24 2ri4 h TRP 14 CO -0.00 1.00 0.64 0.78 -1.03 0.00 0.00 178.44 179.83 2ri4 h GLY 15 N 3.22 1.40 -0.63 2.65 0.00 0.77 -1.80 103.07 108.68 2ri4 h GLY 15 Ca -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2ri4 h GLY 15 CO 0.11 0.45 0.00 0.28 0.00 0.00 0.00 176.54 177.38 2ri4 n LYS 16 N -4.42 1.39 0.00 4.80 5.02 -0.72 -4.40 118.16 119.84 2ri4 n LYS 16 Ca 0.13 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 2ri4 n LYS 16 Cb 0.06 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2ri4 n LYS 16 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2ri4 n VAL 17 N -0.02 0.00 -1.12 -0.18 3.14 -0.68 -5.06 118.33 114.41 2ri4 n VAL 17 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2ri4 n VAL 17 Cb 0.15 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 2ri4 n VAL 17 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ri4 n GLY 18 N 2.72 -0.76 4.68 7.55 0.00 -1.25 -3.70 105.19 114.43 2ri4 n GLY 18 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.05 0.00 0.00 -0.02 0.00 -1.26 -4.12 105.19 98.73 2ri4 n GLY 19 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.61 0.00 1.61 3.02 -1.24 -4.28 115.26 114.98 2ri4 n ASN 20 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2ri4 n ASN 20 Cb 0.00 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.52 -0.02 -0.34 5.41 0.00 -1.26 0.16 120.51 122.94 2ri4 n ALA 21 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2ri4 n ALA 21 Cb 0.34 0.41 0.27 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.99 -1.37 0.31 0.00 0.00 -1.26 0.14 105.19 102.02 2ri4 n GLY 22 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 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 1.96 1.06 0.06 4.61 0.00 -1.50 0.18 119.26 125.63 2ri4 h ALA 23 Ca 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ri4 h ALA 23 Cb 1.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2ri4 h ALA 23 CO -0.93 0.62 -0.03 1.88 0.00 0.00 0.00 179.25 180.79 2ri4 h TYR 24 N 0.95 -0.07 -0.92 0.00 0.05 0.54 -0.60 116.97 116.91 2ri4 h TYR 24 Ca 0.20 -0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.25 2ri4 h TYR 24 Cb 0.36 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 2ri4 h TYR 24 CO 0.02 0.48 1.09 0.78 -1.05 0.00 0.00 178.16 179.48 2ri4 h GLY 25 N -0.93 0.00 0.00 3.88 0.00 0.12 0.50 103.07 106.65 2ri4 h GLY 25 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2ri4 h GLY 25 CO 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.11 2ri4 h ALA 26 N 0.69 0.05 -1.07 3.60 0.00 -0.61 -3.30 119.26 118.62 2ri4 h ALA 26 Ca 0.44 -0.49 0.30 0.00 0.00 0.00 0.00 54.91 55.16 2ri4 h ALA 26 Cb 2.62 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 20.65 2ri4 h ALA 26 CO -0.00 0.35 0.66 1.49 0.00 0.00 0.00 179.25 181.75 2ri4 h GLU 27 N -1.00 0.36 0.00 0.00 4.81 -0.04 -2.28 114.58 116.43 2ri4 h GLU 27 Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2ri4 h GLU 27 Cb 0.55 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2ri4 h GLU 27 CO -0.04 0.24 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 2ri4 n ALA 28 N -2.41 2.21 -0.09 2.92 0.00 0.16 0.10 120.51 123.41 2ri4 n ALA 28 Ca 0.29 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2ri4 n ALA 28 Cb 0.96 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2ri4 n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ri4 n LEU 29 N -1.10 1.77 0.22 0.00 4.77 -0.87 -3.94 117.00 117.85 2ri4 n LEU 29 Ca 0.14 -0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 2ri4 n LEU 29 Cb 0.10 -0.26 0.49 0.00 -2.33 0.00 0.00 43.42 41.43 2ri4 n LEU 29 CO 0.13 0.66 0.81 -0.08 -1.33 0.00 0.00 177.39 177.58 2ri4 h GLU 30 N 0.00 0.00 -0.08 3.23 4.81 -1.34 1.11 114.58 122.31 2ri4 h GLU 30 Ca -0.44 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.62 2ri4 h GLU 30 Cb 1.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 2ri4 h GLU 30 CO -0.03 0.23 -0.67 0.00 -0.73 0.00 0.00 179.01 177.81 2ri4 h ARG 31 N 0.00 0.32 0.01 1.92 3.08 -0.55 -3.17 114.38 116.00 2ri4 h ARG 31 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 2ri4 h ARG 31 Cb 0.68 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2ri4 h ARG 31 CO 0.03 0.88 -0.13 1.98 -1.07 0.00 0.00 179.97 181.66 2ri4 h MET 32 N 0.23 0.07 -0.76 0.04 4.05 -1.33 -2.61 114.93 114.62 2ri4 h MET 32 Ca -0.02 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2ri4 h MET 32 Cb 1.22 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.01 2ri4 h MET 32 CO 0.11 0.92 0.49 0.74 0.23 0.00 0.00 176.91 179.40 2ri4 h PHE 33 N -0.74 0.98 0.00 1.39 0.04 0.11 0.69 116.94 119.41 2ri4 h PHE 33 Ca -0.02 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2ri4 h PHE 33 Cb 0.97 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2ri4 h PHE 33 CO 0.22 0.63 -0.94 -0.07 -0.60 0.00 0.00 178.31 177.55 2ri4 h LEU 34 N 1.04 0.00 0.00 1.54 3.38 -1.67 -3.32 115.31 116.28 2ri4 h LEU 34 Ca 0.28 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.97 2ri4 h LEU 34 Cb -0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2ri4 h LEU 34 CO -0.06 0.46 -1.92 -0.24 0.09 0.00 0.00 178.44 176.77 2ri4 n SER 35 N -3.01 0.50 -3.60 -0.43 2.88 -0.73 -4.57 113.62 104.65 2ri4 n SER 35 Ca -0.03 0.23 -0.29 0.00 -1.33 0.00 0.00 58.87 57.45 2ri4 n SER 35 Cb 0.75 0.49 -0.14 0.00 -0.75 0.00 0.00 64.21 64.57 2ri4 n SER 35 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2ri4 s PHE 36 N -2.68 1.18 -0.60 0.66 0.08 0.23 -5.00 117.98 111.86 2ri4 s PHE 36 Ca -0.06 -1.69 0.21 0.00 0.12 0.00 0.00 56.93 55.50 2ri4 s PHE 36 Cb 0.08 -1.34 0.90 0.00 -0.57 0.00 0.00 43.02 42.08 2ri4 s PHE 36 CO 0.83 -0.83 1.65 -0.35 -0.10 0.00 0.00 175.22 176.42 2ri4 n PRO 37 N 4.36 0.15 0.19 0.24 -0.04 -1.25 -2.06 135.00 136.59 2ri4 n PRO 37 Ca 0.04 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 2ri4 n PRO 37 Cb 0.39 -1.79 0.36 0.00 -0.04 0.00 0.00 33.50 32.41 2ri4 n PRO 37 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ri4 h THR 38 N 0.00 0.95 0.00 0.52 1.35 -1.92 -3.04 112.91 110.77 2ri4 h THR 38 Ca 0.00 -1.47 -0.04 0.00 -0.55 0.00 0.00 66.41 64.36 2ri4 h THR 38 Cb 0.33 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 2ri4 h THR 38 CO 0.00 0.37 -0.19 0.71 -0.25 0.00 0.00 175.52 176.16 2ri4 h THR 39 N 0.00 0.80 -0.98 6.82 1.35 -1.76 -2.90 112.91 116.24 2ri4 h THR 39 Ca -0.00 -0.73 0.24 0.00 -0.55 0.00 0.00 66.41 65.37 2ri4 h THR 39 Cb 0.84 1.44 -0.12 0.00 -1.73 0.00 0.00 68.15 68.58 2ri4 h THR 39 CO 0.05 0.18 0.56 0.11 -0.25 0.00 0.00 175.52 176.17 2ri4 h LYS 40 N 0.00 0.53 0.00 4.72 1.57 -1.72 -2.87 116.57 118.80 2ri4 h LYS 40 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ri4 h LYS 40 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ri4 h LYS 40 CO 0.02 0.35 0.00 0.25 -0.57 0.00 0.00 179.45 179.51 2ri4 n THR 41 N -4.91 0.90 1.08 -0.16 -2.24 -1.09 0.14 114.28 107.99 2ri4 n THR 41 Ca 0.26 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.40 2ri4 n THR 41 Cb 0.73 -1.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.36 0.00 -3.18 4.78 4.01 -1.08 -4.36 117.16 115.98 2ri4 n TYR 42 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 2ri4 n TYR 42 Cb 0.10 -0.32 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 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 -1.37 2.31 0.00 -0.72 3.01 0.37 -5.02 117.46 116.03 2ri4 n PHE 43 Ca 0.08 -3.93 0.00 0.00 1.01 0.00 0.00 57.45 54.61 2ri4 n PHE 43 Cb 0.33 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 2ri4 n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ri4 n PRO 44 N 0.48 0.00 -0.06 -1.08 -0.04 -1.25 -3.53 135.00 129.52 2ri4 n PRO 44 Ca 0.28 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2ri4 n PRO 44 Cb 0.48 -0.88 -0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2ri4 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ri4 n HIS 45 N -0.38 -0.02 -0.90 0.54 1.44 -1.26 -4.76 115.22 109.87 2ri4 n HIS 45 Ca 0.00 0.19 -0.29 0.00 -2.01 0.00 0.00 57.72 55.61 2ri4 n HIS 45 Cb 0.00 -0.54 0.00 0.00 0.12 0.00 0.00 29.99 29.57 2ri4 n HIS 45 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2ri4 n PHE 46 N -4.21 -1.78 -3.57 -1.40 3.01 -1.23 -4.97 117.46 103.30 2ri4 n PHE 46 Ca 0.01 0.38 -0.41 0.00 1.01 0.00 0.00 57.45 58.45 2ri4 n PHE 46 Cb 0.05 -1.23 -0.11 0.00 -0.01 0.00 0.00 39.48 38.18 2ri4 n PHE 46 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2ri4 s ASP 47 N -0.71 5.81 -0.08 4.37 2.15 -1.26 -4.95 116.67 122.00 2ri4 s ASP 47 Ca 0.41 -0.81 0.18 0.00 0.43 0.00 0.00 52.55 52.76 2ri4 s ASP 47 Cb -0.40 -2.06 0.38 0.00 -0.30 0.00 0.00 42.92 40.53 2ri4 s ASP 47 CO 0.46 -0.34 1.17 0.00 -0.17 0.00 0.00 175.17 176.28 2ri4 n LEU 48 N 5.04 1.60 -4.79 -1.34 -0.00 -1.26 -4.11 117.00 112.15 2ri4 n LEU 48 Ca -0.12 -2.66 -0.29 0.00 -0.00 0.00 0.00 56.01 52.94 2ri4 n LEU 48 Cb 0.47 -0.22 0.13 0.00 -0.00 0.00 0.00 43.42 43.81 2ri4 n LEU 48 CO 0.37 0.81 0.71 -0.94 -0.00 0.00 0.00 177.39 178.35 2ri4 s SER 49 N -2.40 3.60 1.00 1.45 1.04 -1.26 -4.99 113.70 112.13 2ri4 s SER 49 Ca 0.32 1.00 -0.17 0.00 0.48 0.00 0.00 55.95 57.58 2ri4 s SER 49 Cb 0.34 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.81 2ri4 s SER 49 CO -0.10 -2.50 -0.36 1.57 0.98 0.00 0.00 173.24 172.82 2ri4 n HIS 50 N -3.73 -2.96 -3.84 5.02 -0.00 -1.26 -3.15 115.22 105.29 2ri4 n HIS 50 Ca 0.07 0.16 -0.18 0.00 0.46 0.00 0.00 57.72 58.23 2ri4 n HIS 50 Cb 0.59 -1.57 0.01 0.00 -0.12 0.00 0.00 29.99 28.90 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 2.60 -0.31 3.94 1.57 0.00 -1.26 -4.84 105.19 106.89 2ri4 n GLY 51 Ca 0.01 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2ri4 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ri4 s SER 52 N -4.39 3.96 -0.07 1.61 0.15 -1.19 -5.05 113.70 108.72 2ri4 s SER 52 Ca 0.18 0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.10 2ri4 s SER 52 Cb -0.10 -0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 63.60 2ri4 s SER 52 CO 0.38 -2.17 -0.01 0.00 1.20 0.00 0.00 173.24 172.64 2ri4 n ALA 53 N -3.30 1.84 1.27 5.45 0.00 -1.26 -3.75 120.51 120.75 2ri4 n ALA 53 Ca 0.13 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ri4 n ALA 53 Cb 0.60 0.19 0.42 0.00 0.00 0.00 0.00 19.45 20.65 2ri4 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n GLN 54 N -2.41 0.82 -0.00 0.00 10.64 -1.26 -0.45 117.38 124.71 2ri4 n GLN 54 Ca -0.12 -0.45 -0.06 0.00 -1.83 0.00 0.00 57.00 54.54 2ri4 n GLN 54 Cb 0.69 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 28.53 2ri4 n GLN 54 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2ri4 h VAL 55 N 1.10 0.54 -0.55 -0.39 2.07 -1.79 -1.78 116.25 115.45 2ri4 h VAL 55 Ca 0.00 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.38 2ri4 h VAL 55 Cb 0.48 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2ri4 h VAL 55 CO 0.00 0.17 0.38 0.11 0.02 0.00 0.00 177.57 178.25 2ri4 h LYS 56 N -0.99 0.21 0.45 1.57 1.57 -1.65 1.19 116.57 118.91 2ri4 h LYS 56 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2ri4 h LYS 56 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2ri4 h LYS 56 CO 0.02 0.14 -0.35 0.78 -0.57 0.00 0.00 179.45 179.46 2ri4 h GLY 57 N 0.22 -1.07 1.75 3.86 0.00 -0.86 -3.11 103.07 103.86 2ri4 h GLY 57 Ca 0.26 0.47 -0.03 0.00 0.00 0.00 0.00 47.33 48.03 2ri4 h GLY 57 CO -0.05 -0.35 -0.00 0.84 0.00 0.00 0.00 176.54 176.98 2ri4 h HIS 58 N -0.77 0.32 -0.81 5.60 -0.00 0.31 -2.75 115.15 117.05 2ri4 h HIS 58 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 2ri4 h HIS 58 Cb 0.65 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 2ri4 h HIS 58 CO -0.13 0.34 0.51 0.78 -0.00 0.00 0.00 177.93 179.42 2ri4 h GLY 59 N 0.62 1.15 0.93 5.26 0.00 0.12 -0.58 103.07 110.58 2ri4 h GLY 59 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2ri4 h GLY 59 CO 0.01 0.45 0.11 0.83 0.00 0.00 0.00 176.54 177.93 2ri4 h GLU 60 N 1.10 0.30 -0.53 4.80 3.07 -1.42 -0.87 114.58 121.03 2ri4 h GLU 60 Ca 0.29 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.15 2ri4 h GLU 60 Cb -0.08 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.73 2ri4 h GLU 60 CO -0.06 0.30 0.29 0.87 -1.40 0.00 0.00 179.01 179.01 2ri4 h LYS 61 N 0.22 0.55 -0.40 2.33 1.79 -1.46 0.26 116.57 119.86 2ri4 h LYS 61 Ca 0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2ri4 h LYS 61 Cb 0.09 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2ri4 h LYS 61 CO -0.01 0.36 0.26 0.28 -1.08 0.00 0.00 179.45 179.27 2ri4 h VAL 62 N 0.57 1.11 0.50 0.50 2.07 -0.88 -2.49 116.25 117.62 2ri4 h VAL 62 Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2ri4 h VAL 62 Cb 0.09 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2ri4 h VAL 62 CO -0.13 0.10 -0.33 0.00 0.02 0.00 0.00 177.57 177.23 2ri4 h ALA 63 N 1.14 -1.13 -0.41 1.67 0.00 -0.64 -2.28 119.26 117.61 2ri4 h ALA 63 Ca 0.15 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ri4 h ALA 63 Cb -0.06 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2ri4 h ALA 63 CO -0.03 -1.11 -0.12 0.00 0.00 0.00 0.00 179.25 178.00 2ri4 n ALA 64 N -2.54 0.06 -0.09 0.00 0.00 0.87 0.13 120.51 118.95 2ri4 n ALA 64 Ca -0.09 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 2ri4 n ALA 64 Cb 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 2ri4 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 h ALA 65 N 0.74 0.35 0.00 0.00 0.00 -1.26 0.17 119.26 119.26 2ri4 h ALA 65 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ri4 h ALA 65 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ri4 h ALA 65 CO -0.41 0.16 -0.28 -0.07 0.00 0.00 0.00 179.25 178.65 2ri4 h LEU 66 N 0.24 0.00 0.61 0.00 3.38 0.17 0.18 115.31 119.88 2ri4 h LEU 66 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ri4 h LEU 66 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ri4 h LEU 66 CO 0.03 0.28 -0.29 0.74 0.09 0.00 0.00 178.44 179.28 2ri4 h THR 67 N 0.00 0.31 -0.51 0.22 2.02 0.11 -2.25 112.91 112.82 2ri4 h THR 67 Ca -0.00 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 66.97 2ri4 h THR 67 Cb 0.75 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 2ri4 h THR 67 CO 0.04 0.03 -0.30 1.17 0.37 0.00 0.00 175.52 176.83 2ri4 n LYS 68 N -5.38 -0.22 -0.32 6.66 3.00 0.54 -1.90 118.16 120.55 2ri4 n LYS 68 Ca -0.12 1.23 -0.07 0.00 -0.00 0.00 0.00 58.31 59.35 2ri4 n LYS 68 Cb 0.35 -1.82 -0.05 0.00 0.00 0.00 0.00 35.03 33.51 2ri4 n LYS 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ri4 n ALA 69 N -3.13 -0.40 -0.04 3.14 0.00 0.55 -2.20 120.51 118.43 2ri4 n ALA 69 Ca 0.01 0.68 -0.09 0.00 0.00 0.00 0.00 53.44 54.04 2ri4 n ALA 69 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 2ri4 n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ri4 h VAL 70 N 0.00 0.90 0.00 0.00 2.07 -0.74 -1.22 116.25 117.25 2ri4 h VAL 70 Ca 0.16 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2ri4 h VAL 70 Cb 0.35 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2ri4 h VAL 70 CO -0.73 0.02 -0.03 1.23 0.02 0.00 0.00 177.57 178.08 2ri4 h GLY 71 N 0.10 0.00 -5.49 2.17 0.00 -1.17 -3.23 103.07 95.46 2ri4 h GLY 71 Ca 0.09 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.75 2ri4 h GLY 71 CO -0.13 0.00 -0.00 1.42 0.00 0.00 0.00 176.54 177.83 2ri4 n HIS 72 N -4.41 3.51 1.55 5.60 -0.00 -0.47 -4.83 115.22 116.18 2ri4 n HIS 72 Ca -0.03 -3.33 0.14 0.00 -0.00 0.00 0.00 57.72 54.50 2ri4 n HIS 72 Cb 0.11 -0.72 0.57 0.00 -0.00 0.00 0.00 29.99 29.95 2ri4 n HIS 72 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2ri4 n LEU 73 N -0.23 1.35 -0.78 2.41 7.94 -1.19 -3.35 117.00 123.14 2ri4 n LEU 73 Ca 0.38 -0.45 0.08 0.00 -1.11 0.00 0.00 56.01 54.92 2ri4 n LEU 73 Cb 0.37 -0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.46 2ri4 n LEU 73 CO 0.41 0.22 0.59 0.47 -1.11 0.00 0.00 177.39 177.97 2ri4 n ASP 74 N 0.06 2.81 -2.79 1.96 8.00 -1.26 -4.68 116.55 120.64 2ri4 n ASP 74 Ca 0.19 -1.82 -0.10 0.00 0.71 0.00 0.00 54.79 53.77 2ri4 n ASP 74 Cb 0.33 -0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 2ri4 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ri4 n ASP 75 N 0.95 -2.40 0.20 -2.24 2.03 -1.21 -4.96 116.55 108.91 2ri4 n ASP 75 Ca 0.13 -3.38 0.08 0.00 0.52 0.00 0.00 54.79 52.14 2ri4 n ASP 75 Cb 0.45 1.61 0.32 0.00 -0.72 0.00 0.00 41.12 42.78 2ri4 n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ri4 h LEU 76 N 3.67 0.00 0.43 -2.67 3.38 -1.83 -2.72 115.31 115.57 2ri4 h LEU 76 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ri4 h LEU 76 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2ri4 h LEU 76 CO 0.29 0.30 -0.21 -0.65 0.09 0.00 0.00 178.44 178.26 2ri4 h PRO 77 N 0.00 -0.56 -0.05 1.13 0.11 -1.93 -2.89 132.00 127.81 2ri4 h PRO 77 Ca -0.00 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2ri4 h PRO 77 Cb 0.94 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ri4 h PRO 77 CO 0.04 -0.37 -0.04 0.78 -0.21 0.00 0.00 178.00 178.20 2ri4 h GLY 78 N -0.61 0.08 1.23 -0.55 0.00 -1.98 -1.21 103.07 100.01 2ri4 h GLY 78 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2ri4 h GLY 78 CO 0.10 0.03 -0.62 -0.91 0.00 0.00 0.00 176.54 175.14 2ri4 h THR 79 N 0.07 0.00 -0.00 4.70 1.35 -1.61 -3.36 112.91 114.05 2ri4 h THR 79 Ca 0.02 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2ri4 h THR 79 Cb 0.12 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2ri4 h THR 79 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 2ri4 n LEU 80 N -2.27 2.14 0.00 3.87 4.77 -0.91 -4.96 117.00 119.64 2ri4 n LEU 80 Ca 0.03 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 2ri4 n LEU 80 Cb 0.46 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2ri4 n LEU 80 CO 0.36 0.58 0.00 -1.54 -1.33 0.00 0.00 177.39 175.47 2ri4 n SER 81 N -0.86 0.00 0.00 -1.43 3.41 -0.51 -3.03 113.62 111.20 2ri4 n SER 81 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2ri4 n SER 81 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2ri4 n SER 81 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ri4 n ASP 82 N 0.00 0.00 -0.09 4.04 9.92 -1.26 -3.22 116.55 125.94 2ri4 n ASP 82 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2ri4 n ASP 82 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2ri4 n ASP 82 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ri4 n LEU 83 N 0.00 1.26 -0.15 0.64 4.77 -1.22 -3.70 117.00 118.59 2ri4 n LEU 83 Ca 0.00 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2ri4 n LEU 83 Cb 0.00 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2ri4 n LEU 83 CO 0.00 0.58 0.67 0.28 -1.33 0.00 0.00 177.39 177.58 2ri4 h SER 84 N 0.00 -0.96 -0.64 -1.43 0.02 -1.51 0.93 113.55 109.97 2ri4 h SER 84 Ca -0.44 0.19 0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2ri4 h SER 84 Cb 1.86 0.48 -0.12 0.00 0.14 0.00 0.00 62.40 64.75 2ri4 h SER 84 CO -0.02 -0.29 -0.22 -0.78 -1.14 0.00 0.00 176.83 174.39 2ri4 h ASP 85 N -0.17 -0.78 -0.12 3.07 3.58 -1.83 0.23 116.42 120.41 2ri4 h ASP 85 Ca 0.21 0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.81 2ri4 h ASP 85 Cb 0.51 0.46 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 2ri4 h ASP 85 CO -0.58 -0.25 -0.16 0.25 -2.88 0.00 0.00 179.24 175.61 2ri4 h LEU 86 N -0.05 0.34 0.10 2.28 5.85 -0.16 -2.17 115.31 121.50 2ri4 h LEU 86 Ca 0.30 -0.52 -0.26 0.00 0.84 0.00 0.00 57.88 58.23 2ri4 h LEU 86 Cb 0.51 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ri4 h LEU 86 CO -0.69 0.80 -1.20 0.45 -0.34 0.00 0.00 178.44 177.47 2ri4 h HIS 87 N -0.10 0.38 -0.54 1.25 3.86 0.73 -0.96 115.15 119.77 2ri4 h HIS 87 Ca 0.01 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2ri4 h HIS 87 Cb 0.72 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2ri4 h HIS 87 CO 0.10 1.22 0.00 0.00 0.86 0.00 0.00 177.93 180.11 2ri4 n ALA 88 N -2.49 2.28 0.14 2.45 0.00 0.81 0.12 120.51 123.82 2ri4 n ALA 88 Ca -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2ri4 n ALA 88 Cb 1.01 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2ri4 n ALA 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2ri4 n HIS 89 N 1.09 -2.52 0.00 0.00 -0.00 -0.86 -4.62 115.22 108.31 2ri4 n HIS 89 Ca 0.18 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.43 2ri4 n HIS 89 Cb 0.53 0.99 0.00 0.00 -0.00 0.00 0.00 29.99 31.50 2ri4 n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2ri4 n LYS 90 N -3.33 0.00 -0.03 1.57 5.02 -0.92 -4.28 118.16 116.18 2ri4 n LYS 90 Ca 0.00 0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 56.60 2ri4 n LYS 90 Cb 0.00 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2ri4 n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ri4 h LEU 91 N 0.00 -0.34 -2.62 -0.35 3.38 -1.39 -3.48 115.31 110.51 2ri4 h LEU 91 Ca 0.00 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2ri4 h LEU 91 Cb 0.00 0.19 0.11 0.00 0.09 0.00 0.00 40.66 41.05 2ri4 h LEU 91 CO 0.00 -0.14 -0.49 0.54 0.09 0.00 0.00 178.44 178.44 2ri4 n ARG 92 N -5.26 -1.41 -3.08 1.13 1.74 -0.71 -5.00 116.66 104.07 2ri4 n ARG 92 Ca -0.02 0.67 -0.40 0.00 -0.77 0.00 0.00 57.85 57.33 2ri4 n ARG 92 Cb 0.18 -4.40 -0.05 0.00 -1.02 0.00 0.00 32.46 27.17 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 -3.22 5.03 0.12 1.55 1.01 0.12 -4.99 120.40 120.02 2ri4 s VAL 93 Ca 0.26 1.32 -0.31 0.00 0.00 0.00 0.00 61.98 63.25 2ri4 s VAL 93 Cb -0.03 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2ri4 s VAL 93 CO 0.50 0.18 1.54 -0.62 0.00 0.00 0.00 175.10 176.70 2ri4 s ASP 94 N 0.96 6.66 0.00 3.32 -1.08 -1.26 -4.86 116.67 120.41 2ri4 s ASP 94 Ca 0.33 2.48 -0.05 0.00 -0.52 0.00 0.00 52.55 54.79 2ri4 s ASP 94 Cb -0.17 -2.58 -0.23 0.00 -1.46 0.00 0.00 42.92 38.49 2ri4 s ASP 94 CO 0.14 -0.79 3.27 -0.81 0.52 0.00 0.00 175.17 177.49 2ri4 n PRO 95 N 4.48 1.78 -0.06 4.34 -0.04 -1.26 -2.36 135.00 141.87 2ri4 n PRO 95 Ca 0.14 -0.84 -0.17 0.00 -0.04 0.00 0.00 63.50 62.59 2ri4 n PRO 95 Cb 0.40 -1.87 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2ri4 n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ri4 n VAL 96 N 2.42 1.61 0.15 0.52 0.31 -1.26 -4.57 118.33 117.51 2ri4 n VAL 96 Ca 0.36 -0.66 0.05 0.00 -0.01 0.00 0.00 64.34 64.08 2ri4 n VAL 96 Cb 0.82 -1.40 0.48 0.00 -0.91 0.00 0.00 33.84 32.83 2ri4 n VAL 96 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2ri4 h ASN 97 N 0.03 0.18 -0.40 4.52 4.21 -1.85 -1.58 115.58 120.68 2ri4 h ASN 97 Ca -0.49 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 56.97 2ri4 h ASN 97 Cb 2.00 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 39.14 2ri4 h ASN 97 CO 0.01 0.24 0.11 -0.26 -1.29 0.00 0.00 177.43 176.24 2ri4 h PHE 98 N 0.20 0.67 0.00 1.19 0.04 -1.80 0.05 116.94 117.28 2ri4 h PHE 98 Ca 0.05 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 2ri4 h PHE 98 Cb 0.17 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2ri4 h PHE 98 CO 0.00 0.63 -0.28 0.87 -0.60 0.00 0.00 178.31 178.93 2ri4 h LYS 99 N 0.51 0.00 -0.33 1.51 1.57 -1.59 0.81 116.57 119.05 2ri4 h LYS 99 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2ri4 h LYS 99 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2ri4 h LYS 99 CO -0.00 0.28 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.72 2ri4 h LEU 100 N 0.00 0.80 -0.01 2.94 3.38 -0.71 -0.84 115.31 120.87 2ri4 h LEU 100 Ca -0.00 -0.35 -0.27 0.00 0.09 0.00 0.00 57.88 57.35 2ri4 h LEU 100 Cb 0.53 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2ri4 h LEU 100 CO 0.04 1.08 -1.06 0.25 0.09 0.00 0.00 178.44 178.84 2ri4 h LEU 101 N 0.63 0.85 -0.99 1.67 5.85 -0.53 -2.58 115.31 120.21 2ri4 h LEU 101 Ca 0.06 -0.70 0.12 0.00 0.84 0.00 0.00 57.88 58.20 2ri4 h LEU 101 Cb 0.91 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 2ri4 h LEU 101 CO 0.08 1.50 0.62 0.28 -0.34 0.00 0.00 178.44 180.58 2ri4 h SER 102 N 0.36 0.92 1.41 1.25 0.02 0.76 0.48 113.55 118.73 2ri4 h SER 102 Ca -0.13 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2ri4 h SER 102 Cb 1.71 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 2ri4 h SER 102 CO 0.20 0.49 -0.59 -0.74 -1.14 0.00 0.00 176.83 175.05 2ri4 h HIS 103 N 0.99 0.00 -0.09 3.45 -0.00 -1.19 -0.46 115.15 117.86 2ri4 h HIS 103 Ca 0.49 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.63 2ri4 h HIS 103 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.89 2ri4 h HIS 103 CO -0.01 0.59 -0.86 0.77 -0.00 0.00 0.00 177.93 178.43 2ri4 h SER 104 N 0.00 0.84 -0.73 3.26 0.02 -0.55 0.03 113.55 116.43 2ri4 h SER 104 Ca -0.01 -0.59 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 2ri4 h SER 104 Cb 1.46 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2ri4 h SER 104 CO 0.08 1.39 0.20 -0.07 -1.14 0.00 0.00 176.83 177.28 2ri4 h LEU 105 N 0.45 1.08 -0.57 5.07 3.38 -0.11 -1.20 115.31 123.42 2ri4 h LEU 105 Ca -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2ri4 h LEU 105 Cb 1.48 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2ri4 h LEU 105 CO 0.17 1.02 0.33 -0.07 0.09 0.00 0.00 178.44 179.98 2ri4 h LEU 106 N 1.10 0.69 -0.10 1.67 3.38 -0.98 -1.41 115.31 119.66 2ri4 h LEU 106 Ca 0.23 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ri4 h LEU 106 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ri4 h LEU 106 CO -0.00 0.57 0.04 0.58 0.09 0.00 0.00 178.44 179.72 2ri4 h VAL 107 N 0.76 0.99 -0.60 1.22 2.07 -0.84 -1.75 116.25 118.10 2ri4 h VAL 107 Ca 0.20 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2ri4 h VAL 107 Cb 0.01 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2ri4 h VAL 107 CO -0.04 0.02 0.35 0.74 0.02 0.00 0.00 177.57 178.66 2ri4 h THR 108 N 0.10 1.02 0.12 2.57 2.02 -0.98 -2.19 112.91 115.56 2ri4 h THR 108 Ca 0.04 -0.23 -0.28 0.00 0.77 0.00 0.00 66.41 66.71 2ri4 h THR 108 Cb 0.01 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2ri4 h THR 108 CO -0.03 0.12 -1.21 -0.07 0.37 0.00 0.00 175.52 174.70 2ri4 h LEU 109 N 0.68 0.65 -0.65 2.58 3.38 -1.00 -2.67 115.31 118.27 2ri4 h LEU 109 Ca 0.26 -0.62 0.14 0.00 0.09 0.00 0.00 57.88 57.74 2ri4 h LEU 109 Cb 0.09 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.52 2ri4 h LEU 109 CO -0.13 1.45 0.01 0.00 0.09 0.00 0.00 178.44 179.86 2ri4 h ALA 110 N 0.47 0.65 -0.62 1.53 0.00 -1.20 -0.20 119.26 119.88 2ri4 h ALA 110 Ca -0.16 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2ri4 h ALA 110 Cb 1.89 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.96 2ri4 h ALA 110 CO 0.22 -0.39 0.29 0.00 0.00 0.00 0.00 179.25 179.37 2ri4 n HIS 112 N -4.90 0.77 -2.99 0.00 8.25 -1.07 -4.56 115.22 110.73 2ri4 n HIS 112 Ca 0.08 0.19 -0.30 0.00 -0.26 0.00 0.00 57.72 57.43 2ri4 n HIS 112 Cb 0.22 -1.11 -0.04 0.00 1.12 0.00 0.00 29.99 30.19 2ri4 n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ri4 n LEU 113 N -3.26 4.94 -0.25 2.41 4.77 -0.11 -4.95 117.00 120.55 2ri4 n LEU 113 Ca -0.32 -5.56 0.03 0.00 -0.03 0.00 0.00 56.01 50.12 2ri4 n LEU 113 Cb 1.05 -0.72 0.16 0.00 -2.33 0.00 0.00 43.42 41.57 2ri4 n LEU 113 CO 0.39 2.21 1.06 -0.65 -1.33 0.00 0.00 177.39 179.07 2ri4 h PRO 114 N 3.57 0.55 0.11 3.23 0.11 -1.79 -2.10 132.00 135.68 2ri4 h PRO 114 Ca 0.22 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2ri4 h PRO 114 Cb 0.51 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2ri4 h PRO 114 CO 0.91 0.36 -0.06 -0.91 -0.21 0.00 0.00 178.00 178.10 2ri4 h ASN 115 N 0.57 -0.13 -0.78 -2.05 4.21 -1.92 -3.20 115.58 112.27 2ri4 h ASN 115 Ca 0.38 0.00 0.32 0.00 1.21 0.00 0.00 56.30 58.21 2ri4 h ASN 115 Cb 0.47 0.03 -0.13 0.00 -1.12 0.00 0.00 38.32 37.58 2ri4 h ASN 115 CO -0.31 -0.04 0.44 0.47 -1.29 0.00 0.00 177.43 176.69 2ri4 n ASP 116 N -2.69 0.24 -3.71 5.81 8.00 -1.18 -3.55 116.55 119.48 2ri4 n ASP 116 Ca -0.02 1.19 -0.42 0.00 0.71 0.00 0.00 54.79 56.25 2ri4 n ASP 116 Cb 0.06 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 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 -4.59 1.88 -2.50 1.24 7.35 -0.80 -4.80 117.46 115.25 2ri4 n PHE 117 Ca 0.28 -1.73 -0.32 0.00 -0.76 0.00 0.00 57.45 54.93 2ri4 n PHE 117 Cb 0.99 -1.75 -0.04 0.00 0.35 0.00 0.00 39.48 39.02 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 5.64 4.54 0.66 -2.13 -4.23 -1.23 -4.84 115.64 114.05 2ri4 s THR 118 Ca 0.59 1.19 0.39 0.00 -1.18 0.00 0.00 61.69 62.68 2ri4 s THR 118 Cb 0.13 -3.70 0.40 0.00 1.34 0.00 0.00 72.50 70.66 2ri4 s THR 118 CO 0.13 -0.62 2.23 -0.65 -0.54 0.00 0.00 174.62 175.17 2ri4 h PRO 119 N 1.09 0.00 0.04 3.99 0.11 -1.94 0.34 132.00 135.63 2ri4 h PRO 119 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 2ri4 h PRO 119 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2ri4 h PRO 119 CO 0.62 0.00 -1.09 0.00 -0.21 0.00 0.00 178.00 177.32 2ri4 h ALA 120 N 1.81 0.28 -0.39 -0.75 0.00 -1.95 0.49 119.26 118.75 2ri4 h ALA 120 Ca 0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2ri4 h ALA 120 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ri4 h ALA 120 CO -0.00 1.18 -0.18 0.28 0.00 0.00 0.00 179.25 180.53 2ri4 h VAL 121 N 0.02 1.28 0.06 0.00 2.07 -1.54 -1.43 116.25 116.72 2ri4 h VAL 121 Ca -0.05 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.18 2ri4 h VAL 121 Cb 1.84 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 2ri4 h VAL 121 CO 0.15 0.44 -0.44 -0.74 0.02 0.00 0.00 177.57 177.00 2ri4 h HIS 122 N 0.62 -1.25 -1.12 1.57 6.17 -0.39 0.13 115.15 120.87 2ri4 h HIS 122 Ca 0.09 0.04 0.31 0.00 0.71 0.00 0.00 60.37 61.51 2ri4 h HIS 122 Cb 0.73 0.54 -0.09 0.00 2.52 0.00 0.00 27.41 31.11 2ri4 h HIS 122 CO 0.06 -0.52 0.74 0.00 0.71 0.00 0.00 177.93 178.92 2ri4 h ALA 123 N -0.17 2.52 0.06 5.26 0.00 -0.83 -0.81 119.26 125.29 2ri4 h ALA 123 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ri4 h ALA 123 Cb 0.68 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ri4 h ALA 123 CO -0.29 -0.94 -0.03 0.77 0.00 0.00 0.00 179.25 178.76 2ri4 h SER 124 N 0.26 -0.07 -0.27 0.00 0.02 -0.67 -3.26 113.55 109.55 2ri4 h SER 124 Ca 0.62 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.63 2ri4 h SER 124 Cb 1.85 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 64.33 2ri4 h SER 124 CO -0.25 0.12 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.08 2ri4 h LEU 125 N -0.44 -1.33 -0.61 5.07 3.38 -0.52 1.95 115.31 122.80 2ri4 h LEU 125 Ca -0.01 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2ri4 h LEU 125 Cb 0.07 0.57 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 2ri4 h LEU 125 CO 0.01 -0.39 -0.51 -0.78 0.09 0.00 0.00 178.44 176.87 2ri4 h ASP 126 N -0.40 -1.76 0.52 -0.43 3.58 -1.37 0.43 116.42 117.00 2ri4 h ASP 126 Ca 0.11 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.82 2ri4 h ASP 126 Cb 0.60 0.77 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2ri4 h ASP 126 CO -0.48 -0.34 0.00 1.17 -2.88 0.00 0.00 179.24 176.71 2ri4 n LYS 127 N -5.37 0.06 0.11 0.28 4.81 0.12 -1.20 118.16 116.97 2ri4 n LYS 127 Ca 0.00 0.33 -0.24 0.00 -0.87 0.00 0.00 58.31 57.53 2ri4 n LYS 127 Cb 0.33 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 33.60 2ri4 n LYS 127 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2ri4 h PHE 128 N 0.00 0.84 -0.16 5.64 3.57 0.70 -3.31 116.94 124.22 2ri4 h PHE 128 Ca 0.00 -0.61 -0.12 0.00 3.53 0.00 0.00 57.97 60.77 2ri4 h PHE 128 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2ri4 h PHE 128 CO 0.00 1.60 -0.41 -0.07 -2.23 0.00 0.00 178.31 177.20 2ri4 h LEU 129 N 0.08 0.38 -0.29 0.59 3.38 0.53 -2.83 115.31 117.14 2ri4 h LEU 129 Ca -0.29 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2ri4 h LEU 129 Cb 2.10 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 2ri4 h LEU 129 CO 0.22 0.75 0.02 0.00 0.09 0.00 0.00 178.44 179.53 2ri4 h ALA 130 N 1.27 0.28 -0.34 1.53 0.00 -1.34 -2.51 119.26 118.15 2ri4 h ALA 130 Ca 0.03 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2ri4 h ALA 130 Cb 0.86 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ri4 h ALA 130 CO 0.07 -0.39 -0.46 -0.97 0.00 0.00 0.00 179.25 177.50 2ri4 h ASN 131 N 0.12 1.00 -0.93 0.00 -1.24 -1.62 -2.50 115.58 110.40 2ri4 h ASN 131 Ca 0.14 -0.50 0.17 0.00 0.71 0.00 0.00 56.30 56.83 2ri4 h ASN 131 Cb 0.17 -0.28 -0.10 0.00 0.73 0.00 0.00 38.32 38.84 2ri4 h ASN 131 CO -0.22 1.30 0.52 0.58 -1.29 0.00 0.00 177.43 178.32 2ri4 h VAL 132 N 0.72 0.70 -0.22 2.57 2.07 -1.51 -1.94 116.25 118.63 2ri4 h VAL 132 Ca 0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2ri4 h VAL 132 Cb 1.07 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2ri4 h VAL 132 CO 0.11 0.12 0.01 0.28 0.02 0.00 0.00 177.57 178.12 2ri4 h SER 133 N 0.68 0.29 0.84 0.57 0.02 -1.00 0.41 113.55 115.36 2ri4 h SER 133 Ca 0.53 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 61.28 2ri4 h SER 133 Cb 0.81 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2ri4 h SER 133 CO -0.39 0.33 -0.79 0.74 -1.14 0.00 0.00 176.83 175.58 2ri4 h THR 134 N 0.31 1.54 -0.11 -2.27 2.02 -1.13 -1.24 112.91 112.03 2ri4 h THR 134 Ca 0.07 -2.74 -0.04 0.00 0.77 0.00 0.00 66.41 64.48 2ri4 h THR 134 Cb 0.19 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2ri4 h THR 134 CO 0.00 0.78 -0.07 0.58 0.37 0.00 0.00 175.52 177.18 2ri4 h VAL 135 N 0.00 1.33 0.00 3.16 2.07 -1.16 0.36 116.25 122.01 2ri4 h VAL 135 Ca -0.01 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 2ri4 h VAL 135 Cb 1.43 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2ri4 h VAL 135 CO 0.10 0.33 -0.20 -0.07 0.02 0.00 0.00 177.57 177.75 2ri4 h LEU 136 N -0.12 0.00 0.00 2.57 3.38 -0.96 -3.26 115.31 116.92 2ri4 h LEU 136 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2ri4 h LEU 136 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2ri4 h LEU 136 CO 0.02 0.20 -2.02 0.41 0.09 0.00 0.00 178.44 177.14 2ri4 n THR 137 N -3.32 0.15 0.02 0.22 -1.04 -0.47 -3.34 114.28 106.50 2ri4 n THR 137 Ca 0.01 -0.53 -0.01 0.00 -2.04 0.00 0.00 64.05 61.48 2ri4 n THR 137 Cb 0.44 -0.04 -0.01 0.00 -1.82 0.00 0.00 70.33 68.90 2ri4 n THR 137 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2ri4 h SER 138 N 0.00 -0.07 0.00 8.00 0.87 -0.96 -3.45 113.55 117.94 2ri4 h SER 138 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2ri4 h SER 138 Cb 1.11 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2ri4 h SER 138 CO 0.00 0.10 0.00 0.29 -0.53 0.00 0.00 176.83 176.69