#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 n ALA 10 N 0.00 -1.81 -1.92 4.61 0.00 -1.26 -4.91 120.51 115.23 1a67 n ALA 10 Ca 0.00 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 1a67 n ALA 10 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1a67 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a67 s PRO 11 N -4.41 4.56 0.16 0.00 0.04 -1.26 -4.83 135.00 129.27 1a67 s PRO 11 Ca 0.00 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.27 1a67 s PRO 11 Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1a67 s PRO 11 CO 0.00 0.46 -0.06 0.14 0.04 0.00 0.00 177.00 177.58 1a67 s VAL 12 N -1.33 1.03 -1.00 -0.36 -7.23 -1.05 -4.96 120.40 105.50 1a67 s VAL 12 Ca 0.41 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 58.32 1a67 s VAL 12 Cb -0.21 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1a67 s VAL 12 CO 0.26 -0.63 1.62 -2.16 -0.31 0.00 0.00 175.10 173.88 1a67 s PRO 13 N -3.80 3.27 0.03 4.82 0.04 -1.26 -1.57 135.00 136.53 1a67 s PRO 13 Ca 0.20 -0.90 -0.17 0.00 0.04 0.00 0.00 61.00 60.17 1a67 s PRO 13 Cb 0.04 -5.27 -0.09 0.00 0.04 0.00 0.00 34.50 29.22 1a67 s PRO 13 CO 0.02 -2.60 0.42 1.55 0.04 0.00 0.00 177.00 176.43 1a67 n VAL 14 N 7.19 0.32 -2.78 -0.36 3.14 -1.26 -4.83 118.33 119.75 1a67 n VAL 14 Ca 0.36 -0.08 -0.41 0.00 -2.96 0.00 0.00 64.34 61.25 1a67 n VAL 14 Cb 0.49 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.24 1a67 n VAL 14 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1a67 s ASP 15 N -0.16 7.38 0.00 6.55 -4.77 -1.26 -4.92 116.67 119.49 1a67 s ASP 15 Ca 0.39 1.66 0.08 0.00 -3.30 0.00 0.00 52.55 51.37 1a67 s ASP 15 Cb -0.55 -2.55 0.45 0.00 -1.09 0.00 0.00 42.92 39.18 1a67 s ASP 15 CO 0.27 -0.14 1.29 -1.84 0.70 0.00 0.00 175.17 175.45 1a67 n GLU 16 N 3.30 1.04 -0.27 2.11 0.28 -1.26 -3.39 120.64 122.44 1a67 n GLU 16 Ca 0.03 -0.06 0.06 0.00 -0.16 0.00 0.00 57.16 57.03 1a67 n GLU 16 Cb 0.50 -1.13 0.19 0.00 1.43 0.00 0.00 31.44 32.43 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a67 n ASN 17 N -0.56 2.49 -4.72 -1.84 3.02 -1.26 -4.88 115.26 107.51 1a67 n ASN 17 Ca 0.06 -2.11 -0.40 0.00 -0.03 0.00 0.00 54.58 52.10 1a67 n ASN 17 Cb 0.04 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a67 s ASP 18 N -0.88 7.10 -0.11 6.41 2.15 -1.22 -4.97 116.67 125.15 1a67 s ASP 18 Ca 0.28 1.33 -0.24 0.00 0.43 0.00 0.00 52.55 54.35 1a67 s ASP 18 Cb 0.16 -2.45 -0.27 0.00 -0.30 0.00 0.00 42.92 40.06 1a67 s ASP 18 CO 0.17 -0.11 0.72 -0.08 -0.17 0.00 0.00 175.17 175.70 1a67 h GLU 19 N 6.50 0.15 0.00 4.34 4.57 -1.95 -3.28 114.58 124.90 1a67 h GLU 19 Ca -0.42 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1a67 h GLU 19 Cb 1.20 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1a67 h GLU 19 CO 0.74 1.12 0.00 0.41 -1.18 0.00 0.00 179.01 180.10 1a67 n GLY 20 N 1.63 -0.90 0.19 1.92 0.00 -1.26 -1.58 105.19 105.20 1a67 n GLY 20 Ca -0.16 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1a67 n GLY 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a67 h LEU 21 N 0.00 0.00 -0.46 0.99 7.12 -1.98 -2.02 115.31 118.96 1a67 h LEU 21 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1a67 h LEU 21 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1a67 h LEU 21 CO 0.00 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.98 1a67 n GLN 22 N -2.47 0.07 -0.08 1.25 7.27 -0.61 -2.73 117.38 120.08 1a67 n GLN 22 Ca -0.00 0.44 -0.11 0.00 0.07 0.00 0.00 57.00 57.39 1a67 n GLN 22 Cb 0.14 -1.68 -0.06 0.00 2.41 0.00 0.00 30.24 31.04 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1a67 h ARG 23 N 0.00 0.00 0.00 3.69 2.43 -1.61 -3.33 114.38 115.56 1a67 h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a67 h ARG 23 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1a67 h ARG 23 CO 0.00 0.46 0.16 0.00 -1.51 0.00 0.00 179.97 179.08 1a67 h ALA 24 N -0.72 1.13 -0.21 2.80 0.00 -1.70 -0.57 119.26 119.97 1a67 h ALA 24 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1a67 h ALA 24 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a67 h ALA 24 CO -0.08 -0.13 -0.45 1.25 0.00 0.00 0.00 179.25 179.85 1a67 h LEU 25 N 0.00 0.76 -0.71 0.00 7.12 -1.62 -2.72 115.31 118.13 1a67 h LEU 25 Ca 0.00 -0.55 0.00 0.00 0.13 0.00 0.00 57.88 57.46 1a67 h LEU 25 Cb 0.31 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1a67 h LEU 25 CO 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 178.44 179.48 1a67 n GLN 26 N -4.19 0.10 0.01 1.25 1.13 -0.22 -2.35 117.38 113.12 1a67 n GLN 26 Ca -0.06 0.50 -0.18 0.00 -1.94 0.00 0.00 57.00 55.32 1a67 n GLN 26 Cb 0.56 -1.76 -0.14 0.00 0.11 0.00 0.00 30.24 29.01 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1a67 h PHE 27 N 0.00 0.38 0.34 1.08 3.04 -1.52 -3.33 116.94 116.93 1a67 h PHE 27 Ca 0.00 -0.28 -0.02 0.00 3.98 0.00 0.00 57.97 61.65 1a67 h PHE 27 Cb 0.12 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1a67 h PHE 27 CO 0.00 1.23 -0.16 0.00 -2.02 0.00 0.00 178.31 177.36 1a67 h ALA 28 N 0.05 -0.46 -0.69 2.41 0.00 -1.46 -2.98 119.26 116.13 1a67 h ALA 28 Ca -0.11 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.82 1a67 h ALA 28 Cb 1.46 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1a67 h ALA 28 CO 0.10 -0.56 0.79 0.52 0.00 0.00 0.00 179.25 180.10 1a67 h MET 29 N -0.85 0.00 0.17 0.00 2.86 -1.72 0.10 114.93 115.49 1a67 h MET 29 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1a67 h MET 29 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1a67 h MET 29 CO 0.08 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.97 1a67 h ALA 30 N 1.06 -0.23 -1.15 6.32 0.00 -1.63 -1.51 119.26 122.13 1a67 h ALA 30 Ca 0.33 -0.22 0.34 0.00 0.00 0.00 0.00 54.91 55.36 1a67 h ALA 30 Cb 1.92 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.68 1a67 h ALA 30 CO -0.00 -0.36 0.73 0.93 0.00 0.00 0.00 179.25 180.54 1a67 h GLU 31 N -0.75 0.25 -0.23 0.00 4.39 -1.00 0.92 114.58 118.16 1a67 h GLU 31 Ca -0.02 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 1a67 h GLU 31 Cb 0.52 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1a67 h GLU 31 CO 0.04 0.16 -0.62 -0.92 -1.16 0.00 0.00 179.01 176.52 1a67 h TYR 32 N 0.26 1.02 -0.30 4.33 3.20 -1.39 -2.12 116.97 121.97 1a67 h TYR 32 Ca 0.71 -0.39 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1a67 h TYR 32 Cb 1.97 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1a67 h TYR 32 CO -0.00 1.20 0.21 -2.95 -1.64 0.00 0.00 178.16 174.98 1a67 h ASN 33 N 0.59 0.12 0.51 -2.11 7.08 0.19 0.08 115.58 122.04 1a67 h ASN 33 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1a67 h ASN 33 Cb 1.22 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 1a67 h ASN 33 CO 0.13 0.08 -0.78 -1.14 -2.08 0.00 0.00 177.43 173.64 1a67 n ARG 34 N -4.48 0.18 0.07 4.14 3.00 -0.86 -4.06 116.66 114.65 1a67 n ARG 34 Ca 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 57.85 57.88 1a67 n ARG 34 Cb 0.28 -1.58 -0.07 0.00 0.00 0.00 0.00 32.46 31.09 1a67 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a67 h ALA 35 N 2.71 0.60 -0.01 5.13 0.00 -0.30 -3.25 119.26 124.14 1a67 h ALA 35 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1a67 h ALA 35 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a67 h ALA 35 CO 0.00 1.00 -0.04 -1.13 0.00 0.00 0.00 179.25 179.09 1a67 n SER 36 N -3.14 0.76 0.00 0.00 3.41 -0.89 -4.88 113.62 108.87 1a67 n SER 36 Ca -0.04 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1a67 n SER 36 Cb 0.86 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a67 n ASN 37 N -0.50 0.00 -3.95 4.04 5.15 -1.23 -4.17 115.26 114.60 1a67 n ASN 37 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1a67 n ASN 37 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1a67 n ASP 38 N 1.01 0.00 -1.31 1.20 5.75 -1.26 -4.92 116.55 117.02 1a67 n ASP 38 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 1a67 n ASP 38 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.23 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1a67 n LYS 39 N 0.00 2.38 -3.70 0.11 0.00 -1.26 -5.02 118.16 110.68 1a67 n LYS 39 Ca 0.00 -3.57 -0.04 0.00 -0.00 0.00 0.00 58.31 54.71 1a67 n LYS 39 Cb 0.00 -1.93 -0.01 0.00 -0.00 0.00 0.00 35.03 33.09 1a67 n LYS 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1a67 s TYR 40 N -3.40 -0.16 0.00 5.58 1.51 -1.26 -2.29 117.35 117.34 1a67 s TYR 40 Ca 0.46 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1a67 s TYR 40 Cb 0.40 0.61 0.00 0.00 -0.11 0.00 0.00 41.96 42.86 1a67 s TYR 40 CO -0.01 -0.72 0.00 0.43 -1.11 0.00 0.00 175.55 174.13 1a67 n SER 41 N -0.43 0.00 -4.58 2.29 7.64 0.76 -4.87 113.62 114.43 1a67 n SER 41 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.48 1a67 n SER 41 Cb 0.61 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.70 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a67 s SER 42 N -1.29 4.62 -0.21 6.43 0.01 -1.26 -1.34 113.70 120.66 1a67 s SER 42 Ca 0.00 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.96 1a67 s SER 42 Cb 0.00 -1.15 0.09 0.00 0.21 0.00 0.00 66.02 65.17 1a67 s SER 42 CO 0.00 0.36 0.84 0.00 0.41 0.00 0.00 173.24 174.85 1a67 s ARG 43 N -0.81 0.76 0.26 12.44 1.70 0.08 -4.47 118.95 128.91 1a67 s ARG 43 Ca 0.12 0.61 -0.01 0.00 -0.47 0.00 0.00 55.73 55.99 1a67 s ARG 43 Cb -0.11 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1a67 s ARG 43 CO 0.01 -0.15 0.46 0.54 -1.08 0.00 0.00 175.30 175.09 1a67 s VAL 44 N -0.20 5.15 -0.08 4.99 0.11 -1.26 -1.01 120.40 128.09 1a67 s VAL 44 Ca -0.02 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 58.56 1a67 s VAL 44 Cb -0.03 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1a67 s VAL 44 CO 0.01 -0.33 -0.21 0.52 -3.33 0.00 0.00 175.10 171.76 1a67 n VAL 45 N -1.11 1.31 0.00 2.04 0.31 -0.88 -4.80 118.33 115.20 1a67 n VAL 45 Ca -0.05 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1a67 n VAL 45 Cb 0.55 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1a67 n VAL 45 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a67 n ARG 46 N -4.01 0.00 -1.92 5.55 0.63 -1.25 -5.05 116.66 110.60 1a67 n ARG 46 Ca -0.13 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.44 1a67 n ARG 46 Cb 0.38 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.33 1a67 n ARG 46 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1a67 s VAL 47 N -1.54 2.40 -0.13 5.15 0.11 -1.26 -3.37 120.40 121.77 1a67 s VAL 47 Ca 0.00 0.26 0.17 0.00 -2.93 0.00 0.00 61.98 59.48 1a67 s VAL 47 Cb 0.00 -3.11 -0.23 0.00 -1.53 0.00 0.00 36.38 31.51 1a67 s VAL 47 CO 0.00 -0.04 0.43 -0.38 -3.33 0.00 0.00 175.10 171.77 1a67 n ILE 48 N -1.49 1.24 0.00 7.04 5.41 0.08 -4.91 119.36 126.74 1a67 n ILE 48 Ca 0.13 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1a67 n ILE 48 Cb 0.48 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a67 n SER 49 N -2.80 0.00 -3.66 4.38 2.88 -1.26 -4.97 113.62 108.20 1a67 n SER 49 Ca -0.21 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.26 1a67 n SER 49 Cb 1.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.38 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s ALA 50 N -2.00 -1.46 0.05 -1.46 0.00 -1.26 -3.43 121.76 112.20 1a67 s ALA 50 Ca 0.00 1.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.79 1a67 s ALA 50 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1a67 s ALA 50 CO 0.00 -0.63 0.02 0.15 0.00 0.00 0.00 175.76 175.31 1a67 s LYS 51 N 2.25 0.64 -0.02 0.00 -0.14 -0.67 -4.58 119.74 117.22 1a67 s LYS 51 Ca -0.06 -1.10 0.05 0.00 -1.36 0.00 0.00 55.97 53.50 1a67 s LYS 51 Cb -0.10 0.23 -0.01 0.00 -1.68 0.00 0.00 37.83 36.27 1a67 s LYS 51 CO -0.15 -0.14 -0.18 -0.98 -0.76 0.00 0.00 175.35 173.14 1a67 s ARG 52 N -3.68 1.51 0.50 1.68 1.70 -0.61 -0.18 118.95 119.88 1a67 s ARG 52 Ca 0.05 -0.63 0.05 0.00 -0.47 0.00 0.00 55.73 54.72 1a67 s ARG 52 Cb 0.06 -1.43 0.00 0.00 -0.57 0.00 0.00 34.95 33.01 1a67 s ARG 52 CO -0.09 0.36 0.25 -0.65 -1.08 0.00 0.00 175.30 174.08 1a67 s GLN 53 N -0.34 2.24 0.06 3.89 -0.21 0.05 -2.53 119.66 122.83 1a67 s GLN 53 Ca 0.05 -2.06 0.05 0.00 0.02 0.00 0.00 55.36 53.43 1a67 s GLN 53 Cb -0.08 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1a67 s GLN 53 CO -0.00 -0.42 -0.15 -0.48 -2.12 0.00 0.00 175.29 172.12 1a67 s LEU 54 N -4.08 2.22 -0.43 2.90 0.05 -1.26 -0.70 118.68 117.38 1a67 s LEU 54 Ca 0.29 -0.54 0.03 0.00 0.05 0.00 0.00 54.13 53.96 1a67 s LEU 54 Cb 0.00 -0.62 0.25 0.00 -2.05 0.00 0.00 46.19 43.77 1a67 s LEU 54 CO 0.17 0.01 1.01 1.33 -0.55 0.00 0.00 176.35 178.32 1a67 n VAL 55 N 1.61 0.00 0.00 1.48 0.24 -1.26 -4.91 118.33 115.48 1a67 n VAL 55 Ca -0.19 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 1a67 n VAL 55 Cb 0.54 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 1a67 n VAL 55 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1a67 n SER 56 N 1.73 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.79 1a67 n SER 56 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1a67 n SER 56 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 57 N 0.00 5.21 3.65 0.46 0.00 -1.26 -5.06 105.19 108.19 1a67 n GLY 57 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 1a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a67 s ILE 58 N 1.64 3.03 -0.04 -0.61 -1.09 -0.70 -4.40 121.20 119.03 1a67 s ILE 58 Ca 0.00 -1.92 -0.05 0.00 -2.23 0.00 0.00 60.65 56.45 1a67 s ILE 58 Cb 0.00 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.07 1a67 s ILE 58 CO 0.00 -0.28 0.13 -0.75 -1.23 0.00 0.00 174.94 172.81 1a67 s LYS 59 N -3.71 0.23 0.16 2.79 2.20 0.12 -1.45 119.74 120.08 1a67 s LYS 59 Ca 0.34 0.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1a67 s LYS 59 Cb -0.03 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1a67 s LYS 59 CO 0.20 -0.04 0.12 0.71 -0.36 0.00 0.00 175.35 175.98 1a67 s TYR 60 N -0.30 3.14 -0.10 4.03 2.02 -0.24 -0.77 117.35 125.13 1a67 s TYR 60 Ca -0.04 -0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1a67 s TYR 60 Cb -0.03 -1.52 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1a67 s TYR 60 CO 0.00 0.52 0.15 0.96 -1.57 0.00 0.00 175.55 175.61 1a67 s ILE 61 N -1.71 -0.24 -0.04 2.71 -4.36 0.75 -0.94 121.20 117.37 1a67 s ILE 61 Ca 0.31 0.25 0.04 0.00 -0.26 0.00 0.00 60.65 60.99 1a67 s ILE 61 Cb -0.10 -0.36 -0.00 0.00 1.25 0.00 0.00 42.46 43.25 1a67 s ILE 61 CO 0.23 0.07 -0.17 -1.48 0.24 0.00 0.00 174.94 173.83 1a67 s LEU 62 N 2.27 1.92 -0.44 0.37 2.34 -0.60 -1.68 118.68 122.87 1a67 s LEU 62 Ca 0.04 -0.34 -0.07 0.00 0.06 0.00 0.00 54.13 53.81 1a67 s LEU 62 Cb -0.13 -0.95 0.11 0.00 -0.56 0.00 0.00 46.19 44.66 1a67 s LEU 62 CO -0.07 0.16 0.28 -1.10 -1.06 0.00 0.00 176.35 174.56 1a67 s GLN 63 N 0.00 2.39 0.23 1.48 -0.21 -1.22 -0.40 119.66 121.92 1a67 s GLN 63 Ca -0.03 -1.70 -0.07 0.00 0.02 0.00 0.00 55.36 53.58 1a67 s GLN 63 Cb -0.11 -3.79 -0.06 0.00 1.00 0.00 0.00 33.01 30.05 1a67 s GLN 63 CO 0.02 -1.10 0.51 0.14 -2.12 0.00 0.00 175.29 172.73 1a67 s VAL 64 N 1.32 5.02 -0.57 1.09 -7.23 0.16 -0.74 120.40 119.45 1a67 s VAL 64 Ca 0.05 0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1a67 s VAL 64 Cb -0.25 -3.66 0.15 0.00 0.56 0.00 0.00 36.38 33.19 1a67 s VAL 64 CO -0.01 -0.13 0.40 -0.70 -0.31 0.00 0.00 175.10 174.35 1a67 s GLU 65 N -3.02 2.51 -0.06 4.82 2.56 -1.22 -1.21 118.70 123.07 1a67 s GLU 65 Ca 0.45 -2.27 -0.03 0.00 0.00 0.00 0.00 54.97 53.12 1a67 s GLU 65 Cb -0.11 -3.78 -0.04 0.00 2.00 0.00 0.00 34.13 32.20 1a67 s GLU 65 CO 0.25 -1.16 0.08 0.96 -0.56 0.00 0.00 175.26 174.82 1a67 s ILE 66 N 0.40 4.85 0.33 -3.70 -4.36 0.21 -2.07 121.20 116.86 1a67 s ILE 66 Ca 0.14 -0.17 0.02 0.00 -0.26 0.00 0.00 60.65 60.38 1a67 s ILE 66 Cb -0.21 -3.13 -0.01 0.00 1.25 0.00 0.00 42.46 40.36 1a67 s ILE 66 CO -0.04 0.51 0.07 0.61 0.24 0.00 0.00 174.94 176.34 1a67 n GLY 67 N 1.72 3.55 4.01 6.27 0.00 -0.18 0.12 105.19 120.69 1a67 n GLY 67 Ca -0.17 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 1a67 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a67 s ARG 68 N -3.22 1.82 0.29 1.61 1.81 -1.25 -0.74 118.95 119.27 1a67 s ARG 68 Ca 0.10 -1.37 -0.21 0.00 -1.72 0.00 0.00 55.73 52.54 1a67 s ARG 68 Cb 0.00 -2.44 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 1a67 s ARG 68 CO 0.07 -1.30 0.74 0.95 -0.68 0.00 0.00 175.30 175.07 1a67 s THR 69 N -3.00 0.00 -0.34 0.02 -4.23 -0.45 -3.57 115.64 104.08 1a67 s THR 69 Ca 0.66 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1a67 s THR 69 Cb -0.05 -2.08 0.55 0.00 1.34 0.00 0.00 72.50 72.26 1a67 s THR 69 CO 0.43 0.00 1.59 0.35 -0.54 0.00 0.00 174.62 176.45 1a67 n THR 70 N -0.47 2.74 -3.76 3.99 -2.24 -0.20 -0.17 114.28 114.17 1a67 n THR 70 Ca -0.04 -2.55 -0.11 0.00 -2.27 0.00 0.00 64.05 59.08 1a67 n THR 70 Cb 0.59 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 n PRO 72 N 0.26 2.88 -0.15 0.00 -0.04 -0.97 -4.14 135.00 132.85 1a67 n PRO 72 Ca -0.17 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1a67 n PRO 72 Cb 0.61 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1a67 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a67 n LYS 73 N 5.96 0.00 0.00 0.54 4.81 -1.26 -4.97 118.16 123.24 1a67 n LYS 73 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1a67 n LYS 73 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 1a67 n LYS 73 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1a67 n SER 74 N 0.00 0.00 -2.76 3.14 7.64 -1.26 -4.34 113.62 116.03 1a67 n SER 74 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1a67 n SER 74 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a67 n SER 75 N 0.00 0.20 0.00 6.43 3.41 -1.26 -4.19 113.62 118.21 1a67 n SER 75 Ca 0.00 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1a67 n SER 75 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a67 n GLY 76 N -0.10 -3.28 3.46 5.00 0.00 -1.26 -4.95 105.19 104.06 1a67 n GLY 76 Ca 0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1a67 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a67 s ASP 77 N -1.99 -0.59 -1.03 1.61 2.15 -1.26 -4.86 116.67 110.69 1a67 s ASP 77 Ca 0.00 0.31 -0.13 0.00 0.43 0.00 0.00 52.55 53.16 1a67 s ASP 77 Cb 0.00 0.56 0.13 0.00 -0.30 0.00 0.00 42.92 43.31 1a67 s ASP 77 CO 0.00 -0.79 0.33 0.18 -0.17 0.00 0.00 175.17 174.72 1a67 n LEU 78 N 0.24 -0.45 0.00 -1.34 7.99 -1.26 -4.22 117.00 117.95 1a67 n LEU 78 Ca -0.18 -0.48 0.00 0.00 -0.01 0.00 0.00 56.01 55.34 1a67 n LEU 78 Cb 0.61 -1.28 0.00 0.00 -0.11 0.00 0.00 43.42 42.64 1a67 n LEU 78 CO 0.18 0.05 0.00 0.00 -1.51 0.00 0.00 177.39 176.11 1a67 n GLN 79 N -3.24 0.00 0.00 3.23 6.02 -1.26 -5.14 117.38 116.99 1a67 n GLN 79 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1a67 n GLN 79 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1a67 n GLN 79 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1a67 n SER 80 N -1.35 0.00 0.00 1.08 7.64 -1.26 -4.96 113.62 114.77 1a67 n SER 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a67 n SER 80 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a67 n GLU 82 N 0.00 0.37 0.00 0.00 1.02 -1.26 -4.44 120.64 116.33 1a67 n GLU 82 Ca 0.00 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.22 1a67 n GLU 82 Cb 0.00 2.35 0.00 0.00 -0.02 0.00 0.00 31.44 33.77 1a67 n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1a67 n PHE 83 N -0.57 0.00 0.00 -0.32 3.01 -1.23 -1.04 117.46 117.31 1a67 n PHE 83 Ca 0.06 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1a67 n PHE 83 Cb 0.53 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1a67 n PHE 83 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1a67 n HIS 84 N 0.36 -0.81 0.00 1.38 8.25 -1.26 -4.05 115.22 119.09 1a67 n HIS 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a67 n HIS 84 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1a67 n ASP 85 N 0.00 0.00 -2.74 0.41 5.75 -1.26 -4.50 116.55 114.21 1a67 n ASP 85 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1a67 n ASP 85 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a67 s GLU 86 N 0.00 0.30 -0.11 0.11 2.02 -1.26 -5.03 118.70 114.73 1a67 s GLU 86 Ca 0.00 -0.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.70 1a67 s GLU 86 Cb 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 34.13 34.17 1a67 s GLU 86 CO 0.00 -0.39 0.19 -1.00 0.02 0.00 0.00 175.26 174.08 1a67 h PRO 87 N 4.88 -0.01 0.00 0.39 0.13 -1.81 -2.06 132.00 133.52 1a67 h PRO 87 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1a67 h PRO 87 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a67 h PRO 87 CO -0.08 0.21 0.00 0.93 -0.23 0.00 0.00 178.00 178.84 1a67 h GLU 88 N -1.00 0.00 -0.47 0.86 5.08 -1.97 -1.48 114.58 115.60 1a67 h GLU 88 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a67 h GLU 88 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1a67 h GLU 88 CO 0.00 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 1a67 n MET 89 N -2.32 2.95 -3.51 2.33 2.81 -1.24 -4.84 117.12 113.30 1a67 n MET 89 Ca 0.01 -2.38 -0.23 0.00 -1.81 0.00 0.00 57.70 53.30 1a67 n MET 89 Cb 0.19 -1.47 -0.14 0.00 -0.71 0.00 0.00 33.22 31.10 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 s ALA 90 N -1.27 0.07 -0.35 3.04 0.00 -0.56 -5.00 121.76 117.70 1a67 s ALA 90 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1a67 s ALA 90 Cb 0.20 -1.39 0.25 0.00 0.00 0.00 0.00 23.12 22.17 1a67 s ALA 90 CO 0.20 -1.44 1.98 1.17 0.00 0.00 0.00 175.76 177.68 1a67 n LYS 91 N 5.29 1.88 0.00 0.00 0.00 -1.26 -4.72 118.16 119.35 1a67 n LYS 91 Ca -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 58.31 56.52 1a67 n LYS 91 Cb 0.47 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.81 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a67 n TYR 92 N 0.17 -1.25 -3.64 5.64 4.02 -1.26 -4.91 117.16 115.93 1a67 n TYR 92 Ca 0.33 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 58.08 1a67 n TYR 92 Cb 0.62 0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 40.09 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1a67 s THR 93 N 0.00 0.00 0.08 -0.72 2.01 0.33 -4.88 115.64 112.46 1a67 s THR 93 Ca 0.00 -0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1a67 s THR 93 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1a67 s THR 93 CO 0.00 -0.00 -0.12 0.28 -0.69 0.00 0.00 174.62 174.08 1a67 s THR 94 N 0.25 3.21 0.20 -0.82 -1.32 -1.26 0.65 115.64 116.55 1a67 s THR 94 Ca -0.01 -1.23 -0.21 0.00 -1.21 0.00 0.00 61.69 59.03 1a67 s THR 94 Cb -0.04 -2.46 0.04 0.00 -1.51 0.00 0.00 72.50 68.54 1a67 s THR 94 CO 0.01 0.19 0.61 0.00 -2.21 0.00 0.00 174.62 173.22 1a67 s THR 96 N -3.83 -0.21 0.46 0.00 2.01 0.30 0.36 115.64 114.72 1a67 s THR 96 Ca 0.06 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.14 1a67 s THR 96 Cb -0.02 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1a67 s THR 96 CO -0.05 -0.01 0.79 -0.36 -0.69 0.00 0.00 174.62 174.31 1a67 s PHE 97 N 2.25 3.53 -0.15 4.92 0.08 0.47 -0.18 117.98 128.90 1a67 s PHE 97 Ca 0.04 0.95 -0.02 0.00 0.12 0.00 0.00 56.93 58.02 1a67 s PHE 97 Cb -0.14 -2.39 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1a67 s PHE 97 CO -0.07 -0.23 -0.00 0.08 -0.10 0.00 0.00 175.22 174.90 1a67 s VAL 98 N -2.61 0.64 0.28 -0.44 1.01 -1.11 -1.55 120.40 116.63 1a67 s VAL 98 Ca 0.50 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1a67 s VAL 98 Cb -0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1a67 s VAL 98 CO 0.40 0.04 0.42 -0.69 0.00 0.00 0.00 175.10 175.26 1a67 s VAL 99 N 1.83 4.79 -0.02 2.92 1.01 -0.12 -2.30 120.40 128.51 1a67 s VAL 99 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1a67 s VAL 99 Cb -0.15 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1a67 s VAL 99 CO -0.07 -0.28 -0.13 -0.47 0.00 0.00 0.00 175.10 174.15 1a67 s TYR 100 N -2.08 1.27 -0.22 5.22 5.04 -0.34 -1.08 117.35 125.16 1a67 s TYR 100 Ca 0.39 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.62 1a67 s TYR 100 Cb -0.09 -0.85 0.08 0.00 0.35 0.00 0.00 41.96 41.45 1a67 s TYR 100 CO 0.30 -0.09 0.49 0.45 -1.34 0.00 0.00 175.55 175.37 1a67 s SER 101 N -0.05 -0.56 -0.30 4.32 0.15 -0.53 -1.43 113.70 115.30 1a67 s SER 101 Ca 0.00 1.12 0.02 0.00 0.70 0.00 0.00 55.95 57.79 1a67 s SER 101 Cb -0.08 1.31 0.19 0.00 -1.71 0.00 0.00 66.02 65.73 1a67 s SER 101 CO 0.00 -0.22 0.61 -0.63 1.20 0.00 0.00 173.24 174.21 1a67 s ILE 102 N 2.13 -0.98 -0.99 6.45 1.09 -0.47 -1.73 121.20 126.71 1a67 s ILE 102 Ca -0.06 0.00 0.27 0.00 -1.10 0.00 0.00 60.65 59.76 1a67 s ILE 102 Cb -0.10 -0.99 0.10 0.00 -1.06 0.00 0.00 42.46 40.41 1a67 s ILE 102 CO -0.15 0.00 1.62 -0.81 -0.10 0.00 0.00 174.94 175.50 1a67 n PRO 103 N 5.42 0.01 0.01 2.79 -0.04 -1.26 -0.79 135.00 141.14 1a67 n PRO 103 Ca 0.02 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1a67 n PRO 103 Cb 0.52 -1.51 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 1a67 n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a67 n TRP 104 N -1.52 0.09 -2.00 0.54 -0.00 -1.26 -3.76 117.44 109.53 1a67 n TRP 104 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1a67 n TRP 104 Cb 0.34 -0.55 0.00 0.00 -0.00 0.00 0.00 31.31 31.10 1a67 n TRP 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1a67 n LEU 105 N -1.58 0.00 -2.11 5.67 4.77 -1.26 -5.04 117.00 117.45 1a67 n LEU 105 Ca 0.05 -0.99 -0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1a67 n LEU 105 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1a67 n LEU 105 CO 0.20 0.54 0.13 -3.20 -1.33 0.00 0.00 177.39 173.73 1a67 n ASN 106 N 0.00 -4.29 -3.54 -1.43 4.05 -1.25 -5.08 115.26 103.73 1a67 n ASN 106 Ca 0.00 -0.01 -0.13 0.00 0.45 0.00 0.00 54.58 54.88 1a67 n ASN 106 Cb 0.62 -2.70 -0.04 0.00 1.23 0.00 0.00 39.78 38.88 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1a67 s GLN 107 N -2.92 1.10 0.00 1.20 2.00 0.03 -5.03 119.66 116.04 1a67 s GLN 107 Ca 0.01 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.07 1a67 s GLN 107 Cb -0.00 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.31 1a67 s GLN 107 CO 0.30 -0.42 0.00 1.51 -0.50 0.00 0.00 175.29 176.18 1a67 n ILE 108 N 0.19 0.00 -3.81 -2.34 3.06 -1.26 -1.36 119.36 113.83 1a67 n ILE 108 Ca -0.18 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 59.98 1a67 n ILE 108 Cb 0.62 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.81 1a67 n ILE 108 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1a67 n LYS 109 N -0.24 1.02 -3.59 9.51 4.81 -0.51 -4.94 118.16 124.21 1a67 n LYS 109 Ca 0.00 -2.24 -0.28 0.00 -0.87 0.00 0.00 58.31 54.92 1a67 n LYS 109 Cb 0.00 2.66 -0.11 0.00 0.02 0.00 0.00 35.03 37.60 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1a67 s LEU 110 N 0.00 2.42 0.02 3.14 2.96 -1.26 -1.20 118.68 124.75 1a67 s LEU 110 Ca 0.17 -3.02 -0.03 0.00 -0.22 0.00 0.00 54.13 51.04 1a67 s LEU 110 Cb -0.04 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 1a67 s LEU 110 CO 0.13 -0.19 0.97 -0.11 -1.32 0.00 0.00 176.35 175.83 1a67 n LEU 111 N 2.98 -0.10 0.00 -0.68 7.94 -0.97 -4.94 117.00 121.23 1a67 n LEU 111 Ca 0.20 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1a67 n LEU 111 Cb 0.40 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1a67 n LEU 111 CO 0.17 -0.55 0.00 -1.84 -1.11 0.00 0.00 177.39 174.06 1a67 n GLU 112 N -3.15 -2.10 -3.43 1.96 0.28 -1.26 -5.02 120.64 107.92 1a67 n GLU 112 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.57 1a67 n GLU 112 Cb 0.02 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.83 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1a67 s SER 113 N -3.47 6.03 -0.90 -1.84 1.04 -1.26 -2.75 113.70 110.55 1a67 s SER 113 Ca 0.00 -2.05 -0.24 0.00 0.48 0.00 0.00 55.95 54.14 1a67 s SER 113 Cb 0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1a67 s SER 113 CO 0.00 -0.72 1.77 -0.75 0.98 0.00 0.00 173.24 174.52 1a67 s LYS 114 N 1.17 2.87 0.19 4.02 2.47 0.75 -4.72 119.74 126.51 1a67 s LYS 114 Ca 0.07 -0.43 0.10 0.00 -1.56 0.00 0.00 55.97 54.15 1a67 s LYS 114 Cb -0.25 -5.04 -0.04 0.00 -1.46 0.00 0.00 37.83 31.04 1a67 s LYS 114 CO -0.01 -2.94 -0.19 0.00 0.16 0.00 0.00 175.35 172.37