#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 -3.63 -1.86 4.61 0.00 -1.26 -4.80 120.51 113.57 1a67 n ALA 10 Ca 0.00 0.59 -0.33 0.00 0.00 0.00 0.00 53.44 53.70 1a67 n ALA 10 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.05 4.21 0.20 0.00 0.04 -1.26 -4.61 135.00 130.53 1a67 s PRO 11 Ca 0.00 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 1a67 s PRO 11 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1a67 s PRO 11 CO 0.00 0.00 0.42 0.14 0.04 0.00 0.00 177.00 177.60 1a67 s VAL 12 N -2.14 0.03 0.84 -0.36 -7.23 -1.09 -5.04 120.40 105.42 1a67 s VAL 12 Ca 0.61 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 1a67 s VAL 12 Cb -0.09 -1.89 0.10 0.00 0.56 0.00 0.00 36.38 35.05 1a67 s VAL 12 CO 0.14 -0.14 1.10 -2.16 -0.31 0.00 0.00 175.10 173.73 1a67 s PRO 13 N -3.96 1.69 -0.09 4.82 0.04 -1.26 -1.15 135.00 135.09 1a67 s PRO 13 Ca 0.17 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 1a67 s PRO 13 Cb 0.01 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1a67 s PRO 13 CO 0.02 -1.88 0.15 0.08 0.04 0.00 0.00 177.00 175.41 1a67 s VAL 14 N -3.13 5.49 -0.02 -0.36 1.01 -1.25 -4.50 120.40 117.64 1a67 s VAL 14 Ca 0.62 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 1a67 s VAL 14 Cb -0.15 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1a67 s VAL 14 CO 0.55 0.54 0.50 1.51 0.00 0.00 0.00 175.10 178.19 1a67 s ASP 15 N -1.29 6.85 -0.01 3.32 -4.77 -1.26 -4.94 116.67 114.57 1a67 s ASP 15 Ca 0.18 1.01 0.04 0.00 -3.30 0.00 0.00 52.55 50.49 1a67 s ASP 15 Cb -0.12 -2.30 0.14 0.00 -1.09 0.00 0.00 42.92 39.55 1a67 s ASP 15 CO 0.08 0.17 1.03 -1.84 0.70 0.00 0.00 175.17 175.31 1a67 n GLU 16 N 2.56 1.46 0.16 2.11 -0.00 -1.26 -3.62 120.64 122.05 1a67 n GLU 16 Ca -0.10 -0.58 0.12 0.00 -0.00 0.00 0.00 57.16 56.60 1a67 n GLU 16 Cb 0.52 -1.25 0.20 0.00 -0.00 0.00 0.00 31.44 30.91 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1a67 h ASN 17 N 0.89 0.00 -3.63 -1.84 -0.26 -2.05 -3.43 115.58 105.25 1a67 h ASN 17 Ca 0.00 -0.02 -0.62 0.00 -0.56 0.00 0.00 56.30 55.10 1a67 h ASN 17 Cb 0.35 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.47 1a67 h ASN 17 CO 0.02 0.01 -0.10 1.51 -1.06 0.00 0.00 177.43 177.82 1a67 s ASP 18 N -5.50 6.37 0.00 5.81 -4.77 -1.24 -4.93 116.67 112.42 1a67 s ASP 18 Ca 0.07 0.44 0.28 0.00 -3.30 0.00 0.00 52.55 50.04 1a67 s ASP 18 Cb 0.08 -2.25 1.30 0.00 -1.09 0.00 0.00 42.92 40.96 1a67 s ASP 18 CO 0.68 -0.25 1.88 1.21 0.70 0.00 0.00 175.17 179.39 1a67 n GLU 19 N 5.44 1.43 0.16 2.11 4.07 -1.26 -3.72 120.64 128.86 1a67 n GLU 19 Ca -0.06 -0.62 0.13 0.00 -0.06 0.00 0.00 57.16 56.55 1a67 n GLU 19 Cb 0.50 -1.47 0.53 0.00 -0.06 0.00 0.00 31.44 30.94 1a67 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1a67 h GLY 20 N 4.94 0.00 2.00 8.31 0.00 -1.99 -2.32 103.07 114.02 1a67 h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a67 h GLY 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1a67 h LEU 21 N 0.00 0.00 -0.56 3.11 5.85 -1.99 -2.19 115.31 119.53 1a67 h LEU 21 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a67 h LEU 21 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1a67 h LEU 21 CO 0.00 0.00 0.00 1.67 -0.34 0.00 0.00 178.44 179.77 1a67 n GLN 22 N -2.47 0.08 0.05 1.25 7.27 -0.87 -1.22 117.38 121.47 1a67 n GLN 22 Ca 0.01 0.47 -0.12 0.00 0.07 0.00 0.00 57.00 57.43 1a67 n GLN 22 Cb 0.22 -1.71 -0.13 0.00 2.41 0.00 0.00 30.24 31.02 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 0.12 0.00 3.69 2.43 -1.62 -3.18 114.38 115.81 1a67 h ARG 23 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1a67 h ARG 23 Cb 0.14 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1a67 h ARG 23 CO 0.00 0.96 0.00 0.00 -1.51 0.00 0.00 179.97 179.42 1a67 h ALA 24 N 0.77 1.00 -0.02 2.80 0.00 -1.33 -2.48 119.26 119.99 1a67 h ALA 24 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1a67 h ALA 24 Cb 1.93 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.74 1a67 h ALA 24 CO 0.14 0.00 -1.00 1.25 0.00 0.00 0.00 179.25 179.64 1a67 h LEU 25 N 0.00 0.86 -0.64 0.00 7.12 -1.52 -2.94 115.31 118.18 1a67 h LEU 25 Ca 0.00 -0.67 0.00 0.00 0.13 0.00 0.00 57.88 57.34 1a67 h LEU 25 Cb 0.30 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1a67 h LEU 25 CO 0.00 1.47 0.00 0.00 -0.13 0.00 0.00 178.44 179.78 1a67 n GLN 26 N -3.85 0.14 -0.07 1.25 6.02 -0.94 -1.49 117.38 118.45 1a67 n GLN 26 Ca -0.10 0.43 -0.18 0.00 -0.01 0.00 0.00 57.00 57.14 1a67 n GLN 26 Cb 0.86 -1.80 -0.13 0.00 1.02 0.00 0.00 30.24 30.19 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1a67 h PHE 27 N 0.00 0.08 -0.07 1.08 3.04 -1.54 -3.28 116.94 116.25 1a67 h PHE 27 Ca 0.00 -0.06 -0.23 0.00 3.98 0.00 0.00 57.97 61.67 1a67 h PHE 27 Cb 0.27 -0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.79 1a67 h PHE 27 CO 0.00 1.25 -0.84 0.00 -2.02 0.00 0.00 178.31 176.70 1a67 h ALA 28 N -0.18 0.20 0.00 2.41 0.00 -1.42 -2.79 119.26 117.48 1a67 h ALA 28 Ca -0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1a67 h ALA 28 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a67 h ALA 28 CO -0.06 0.61 -0.00 1.98 0.00 0.00 0.00 179.25 181.78 1a67 h MET 29 N 0.37 0.00 0.00 0.00 4.05 -1.44 -1.53 114.93 116.37 1a67 h MET 29 Ca -0.09 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1a67 h MET 29 Cb 1.49 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.28 1a67 h MET 29 CO 0.17 0.00 -0.64 0.00 0.23 0.00 0.00 176.91 176.67 1a67 h ALA 30 N 2.00 0.09 -0.94 0.39 0.00 -1.59 -2.68 119.26 116.53 1a67 h ALA 30 Ca -0.00 -0.68 0.25 0.00 0.00 0.00 0.00 54.91 54.49 1a67 h ALA 30 Cb 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a67 h ALA 30 CO 0.00 0.45 0.65 0.93 0.00 0.00 0.00 179.25 181.28 1a67 h GLU 31 N -1.00 0.15 -0.08 0.00 4.39 -1.32 0.66 114.58 117.37 1a67 h GLU 31 Ca -0.12 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.37 1a67 h GLU 31 Cb 0.76 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1a67 h GLU 31 CO -0.07 0.10 -0.77 -0.92 -1.16 0.00 0.00 179.01 176.18 1a67 h TYR 32 N 0.15 0.67 -0.73 4.33 3.20 -1.39 -3.12 116.97 120.08 1a67 h TYR 32 Ca 0.47 -0.30 0.11 0.00 3.14 0.00 0.00 58.73 62.14 1a67 h TYR 32 Cb 1.60 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.72 1a67 h TYR 32 CO -0.00 1.09 0.48 -2.95 -1.64 0.00 0.00 178.16 175.14 1a67 h ASN 33 N 0.32 0.52 0.07 -2.11 -0.00 0.69 0.04 115.58 115.12 1a67 h ASN 33 Ca -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.26 1a67 h ASN 33 Cb 1.37 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1a67 h ASN 33 CO 0.14 0.30 -0.07 0.08 -0.00 0.00 0.00 177.43 177.88 1a67 h ARG 34 N 0.57 0.01 0.00 4.14 -0.00 -1.42 -1.49 114.38 116.19 1a67 h ARG 34 Ca 0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.32 1a67 h ARG 34 Cb 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 1a67 h ARG 34 CO -0.12 0.09 -0.18 0.00 -0.00 0.00 0.00 179.97 179.75 1a67 n ALA 35 N -2.52 2.51 1.62 0.08 0.00 -0.01 -3.49 120.51 118.69 1a67 n ALA 35 Ca -0.03 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1a67 n ALA 35 Cb 0.16 -1.38 0.71 0.00 0.00 0.00 0.00 19.45 18.94 1a67 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a67 n SER 36 N -2.11 0.00 -0.25 0.00 3.41 -0.56 -2.70 113.62 111.41 1a67 n SER 36 Ca 0.05 -0.87 0.14 0.00 -0.26 0.00 0.00 58.87 57.93 1a67 n SER 36 Cb 0.42 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.05 1a67 n SER 36 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1a67 n ASN 37 N -0.96 0.77 -3.95 4.04 2.04 -1.23 -4.85 115.26 111.12 1a67 n ASN 37 Ca 0.18 -1.31 0.00 0.00 -0.44 0.00 0.00 54.58 53.01 1a67 n ASN 37 Cb 0.08 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1a67 n ASP 38 N -0.37 0.00 -2.62 0.53 5.75 -1.10 -4.97 116.55 113.78 1a67 n ASP 38 Ca 0.20 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.92 1a67 n ASP 38 Cb 0.23 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.36 1a67 n ASP 38 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1a67 n LYS 39 N 0.00 2.24 0.00 0.11 4.81 -1.26 -5.00 118.16 119.07 1a67 n LYS 39 Ca 0.00 -3.69 0.00 0.00 -0.87 0.00 0.00 58.31 53.75 1a67 n LYS 39 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a67 n TYR 40 N -0.63 0.00 -4.69 5.64 4.02 -1.26 -4.39 117.16 115.86 1a67 n TYR 40 Ca 0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.82 1a67 n TYR 40 Cb 0.85 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 40.02 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1a67 s SER 41 N 1.94 1.98 -0.10 7.72 1.04 0.79 -4.65 113.70 122.41 1a67 s SER 41 Ca 0.00 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 1a67 s SER 41 Cb 0.00 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.95 1a67 s SER 41 CO 0.00 0.17 -0.08 -0.44 0.98 0.00 0.00 173.24 173.87 1a67 s SER 42 N -0.64 2.07 -0.03 7.02 0.01 -1.26 -0.26 113.70 120.61 1a67 s SER 42 Ca 0.06 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 1a67 s SER 42 Cb -0.07 -0.82 0.01 0.00 0.21 0.00 0.00 66.02 65.35 1a67 s SER 42 CO 0.00 -0.10 0.19 0.00 0.41 0.00 0.00 173.24 173.74 1a67 s ARG 43 N 1.54 0.42 1.09 12.44 1.70 -0.73 -5.02 118.95 130.38 1a67 s ARG 43 Ca 0.02 -0.11 -0.16 0.00 -0.47 0.00 0.00 55.73 55.00 1a67 s ARG 43 Cb -0.13 0.18 0.23 0.00 -0.57 0.00 0.00 34.95 34.67 1a67 s ARG 43 CO -0.06 -0.09 1.14 0.54 -1.08 0.00 0.00 175.30 175.74 1a67 s VAL 44 N -0.81 1.80 0.02 4.99 0.11 -1.26 -1.66 120.40 123.58 1a67 s VAL 44 Ca -0.09 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1a67 s VAL 44 Cb -0.05 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1a67 s VAL 44 CO 0.01 0.00 -0.08 0.52 -3.33 0.00 0.00 175.10 172.23 1a67 n VAL 45 N -4.37 1.08 -3.20 2.04 0.31 0.30 -4.69 118.33 109.80 1a67 n VAL 45 Ca 0.11 0.26 0.04 0.00 -0.01 0.00 0.00 64.34 64.74 1a67 n VAL 45 Cb 0.59 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 1a67 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a67 s ARG 46 N -2.18 0.17 0.48 5.55 1.70 -1.25 -5.06 118.95 118.37 1a67 s ARG 46 Ca -0.07 0.34 -0.19 0.00 -0.47 0.00 0.00 55.73 55.34 1a67 s ARG 46 Cb 0.01 0.20 -0.14 0.00 -0.57 0.00 0.00 34.95 34.45 1a67 s ARG 46 CO 0.10 -0.15 0.12 1.55 -1.08 0.00 0.00 175.30 175.84 1a67 n VAL 47 N 5.26 0.77 -0.10 4.99 3.14 -1.26 -4.25 118.33 126.88 1a67 n VAL 47 Ca -0.07 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.70 1a67 n VAL 47 Cb 0.54 -0.19 -0.16 0.00 -1.06 0.00 0.00 33.84 32.98 1a67 n VAL 47 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1a67 n ILE 48 N -1.35 1.41 0.00 1.55 5.41 0.13 -4.93 119.36 121.57 1a67 n ILE 48 Ca 0.10 -0.83 0.00 0.00 1.00 0.00 0.00 62.75 63.02 1a67 n ILE 48 Cb 0.45 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 -2.81 0.00 -3.66 4.38 2.88 -1.25 -4.95 113.62 108.20 1a67 n SER 49 Ca -0.34 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.13 1a67 n SER 49 Cb 1.14 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.52 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 -1.50 0.09 -1.46 0.00 -1.26 -2.96 121.76 112.67 1a67 s ALA 50 Ca 0.00 1.90 0.05 0.00 0.00 0.00 0.00 51.96 53.91 1a67 s ALA 50 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1a67 s ALA 50 CO 0.00 -0.65 -0.13 0.15 0.00 0.00 0.00 175.76 175.13 1a67 s LYS 51 N 2.29 0.89 -0.05 0.00 1.02 -0.69 -3.89 119.74 119.31 1a67 s LYS 51 Ca -0.06 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 54.90 1a67 s LYS 51 Cb -0.10 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1a67 s LYS 51 CO -0.16 0.16 -0.17 -0.98 -0.92 0.00 0.00 175.35 173.29 1a67 s ARG 52 N -2.21 2.48 0.53 1.68 1.70 -0.30 -0.69 118.95 122.14 1a67 s ARG 52 Ca 0.03 -0.75 0.04 0.00 -0.47 0.00 0.00 55.73 54.58 1a67 s ARG 52 Cb -0.07 -2.32 0.02 0.00 -0.57 0.00 0.00 34.95 32.01 1a67 s ARG 52 CO 0.02 0.58 0.24 -1.14 -1.08 0.00 0.00 175.30 173.92 1a67 s GLN 53 N -0.62 2.23 -0.06 3.89 0.74 -0.07 -2.67 119.66 123.10 1a67 s GLN 53 Ca 0.09 -2.17 0.02 0.00 0.05 0.00 0.00 55.36 53.35 1a67 s GLN 53 Cb -0.11 -1.87 0.01 0.00 1.10 0.00 0.00 33.01 32.14 1a67 s GLN 53 CO 0.01 -0.51 -0.11 -1.17 -0.55 0.00 0.00 175.29 172.96 1a67 s LEU 54 N -4.12 1.60 -0.47 3.68 1.98 -1.26 -1.19 118.68 118.90 1a67 s LEU 54 Ca 0.23 -0.28 0.06 0.00 -2.89 0.00 0.00 54.13 51.25 1a67 s LEU 54 Cb -0.01 -0.79 0.25 0.00 0.66 0.00 0.00 46.19 46.31 1a67 s LEU 54 CO 0.14 0.02 0.89 1.33 -1.89 0.00 0.00 176.35 176.84 1a67 n VAL 55 N 3.87 -0.07 0.00 1.68 0.24 -1.26 -4.92 118.33 117.87 1a67 n VAL 55 Ca -0.23 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 1a67 n VAL 55 Cb 0.52 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.42 0.00 0.00 -1.34 2.88 -1.26 -4.86 113.62 110.46 1a67 n SER 56 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1a67 n SER 56 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 6.31 3.89 0.46 0.00 -1.26 -5.07 105.19 109.52 1a67 n GLY 57 Ca 0.00 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 0.75 4.92 0.04 -0.61 1.01 -0.68 -4.43 121.20 122.20 1a67 s ILE 58 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1a67 s ILE 58 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1a67 s ILE 58 CO 0.00 -0.23 -0.07 -0.75 0.00 0.00 0.00 174.94 173.89 1a67 s LYS 59 N -3.59 0.50 0.05 2.79 2.20 -0.33 -0.82 119.74 120.52 1a67 s LYS 59 Ca 0.33 -0.75 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 1a67 s LYS 59 Cb -0.09 -0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 1a67 s LYS 59 CO 0.27 0.03 -0.22 0.71 -0.36 0.00 0.00 175.35 175.77 1a67 s TYR 60 N -1.45 2.43 -0.17 4.03 1.51 -0.49 -0.89 117.35 122.32 1a67 s TYR 60 Ca -0.11 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1a67 s TYR 60 Cb -0.10 -1.42 0.07 0.00 -0.11 0.00 0.00 41.96 40.40 1a67 s TYR 60 CO -0.00 0.20 0.13 0.96 -1.11 0.00 0.00 175.55 175.73 1a67 s ILE 61 N -0.87 -0.17 0.03 2.71 -4.36 0.13 -0.79 121.20 117.88 1a67 s ILE 61 Ca 0.13 -0.11 0.06 0.00 -0.26 0.00 0.00 60.65 60.48 1a67 s ILE 61 Cb -0.10 -0.58 -0.03 0.00 1.25 0.00 0.00 42.46 43.00 1a67 s ILE 61 CO 0.04 -0.22 -0.16 -1.48 0.24 0.00 0.00 174.94 173.35 1a67 s LEU 62 N 2.21 2.71 -0.47 0.37 0.05 -0.43 -1.70 118.68 121.41 1a67 s LEU 62 Ca 0.04 -0.37 -0.07 0.00 0.05 0.00 0.00 54.13 53.78 1a67 s LEU 62 Cb -0.16 -1.58 0.12 0.00 -2.05 0.00 0.00 46.19 42.53 1a67 s LEU 62 CO -0.10 0.26 0.32 -1.10 -0.55 0.00 0.00 176.35 175.18 1a67 s GLN 63 N -1.41 2.35 0.26 1.48 -1.52 -1.16 -0.57 119.66 119.10 1a67 s GLN 63 Ca 0.15 -1.85 -0.02 0.00 -1.95 0.00 0.00 55.36 51.69 1a67 s GLN 63 Cb -0.11 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.82 1a67 s GLN 63 CO 0.06 -1.16 0.47 0.14 -0.25 0.00 0.00 175.29 174.55 1a67 s VAL 64 N 1.17 5.13 -0.39 1.09 -7.23 -0.33 -0.70 120.40 119.14 1a67 s VAL 64 Ca 0.08 -0.24 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 1a67 s VAL 64 Cb -0.24 -3.76 0.11 0.00 0.56 0.00 0.00 36.38 33.05 1a67 s VAL 64 CO -0.02 -0.29 0.14 -0.70 -0.31 0.00 0.00 175.10 173.91 1a67 s GLU 65 N -3.57 1.45 0.10 4.82 2.56 -1.26 -1.41 118.70 121.38 1a67 s GLU 65 Ca 0.40 -1.94 0.06 0.00 0.00 0.00 0.00 54.97 53.49 1a67 s GLU 65 Cb -0.11 -2.91 -0.04 0.00 2.00 0.00 0.00 34.13 33.08 1a67 s GLU 65 CO 0.30 -1.02 -0.03 0.96 -0.56 0.00 0.00 175.26 174.91 1a67 s ILE 66 N 0.65 3.82 0.20 -3.70 -4.36 0.09 -0.54 121.20 117.36 1a67 s ILE 66 Ca 0.13 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.45 1a67 s ILE 66 Cb -0.21 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1a67 s ILE 66 CO -0.08 0.11 0.03 -0.83 0.24 0.00 0.00 174.94 174.40 1a67 s GLY 67 N -2.31 1.37 0.52 6.27 0.00 -0.66 0.22 107.32 112.72 1a67 s GLY 67 Ca 0.25 -1.67 0.09 0.00 0.00 0.00 0.00 44.72 43.38 1a67 s GLY 67 CO 0.17 -1.55 0.72 0.50 0.00 0.00 0.00 173.10 172.94 1a67 s ARG 68 N -3.94 2.48 0.37 2.90 0.52 -1.26 -1.78 118.95 118.24 1a67 s ARG 68 Ca 0.28 -1.48 -0.15 0.00 -0.52 0.00 0.00 55.73 53.86 1a67 s ARG 68 Cb 0.06 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.90 1a67 s ARG 68 CO 0.07 -0.66 0.74 -0.08 0.02 0.00 0.00 175.30 175.39 1a67 s THR 69 N -2.56 0.00 0.00 0.02 -1.32 0.64 -3.97 115.64 108.45 1a67 s THR 69 Ca 0.59 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1a67 s THR 69 Cb -0.07 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 1a67 s THR 69 CO 0.37 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 173.13 1a67 n THR 70 N -0.52 0.00 -3.79 5.08 -2.24 -0.28 -1.81 114.28 110.71 1a67 n THR 70 Ca -0.07 0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.46 1a67 n THR 70 Cb 0.60 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 s PRO 72 N -5.21 3.85 0.12 0.00 0.04 -1.26 -3.58 135.00 128.96 1a67 s PRO 72 Ca 0.08 -1.95 0.00 0.00 0.04 0.00 0.00 61.00 59.16 1a67 s PRO 72 Cb -0.04 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1a67 s PRO 72 CO 0.90 -1.98 0.00 1.17 0.04 0.00 0.00 177.00 177.13 1a67 n LYS 73 N 7.21 -0.92 -1.84 4.56 4.81 -1.26 -4.53 118.16 126.19 1a67 n LYS 73 Ca 0.36 0.63 -0.28 0.00 -0.87 0.00 0.00 58.31 58.15 1a67 n LYS 73 Cb 0.47 -1.11 0.04 0.00 0.02 0.00 0.00 35.03 34.44 1a67 n LYS 73 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a67 n SER 74 N -2.28 5.76 -0.71 3.14 2.88 -1.26 -4.59 113.62 116.57 1a67 n SER 74 Ca -0.00 -3.76 0.05 0.00 -1.33 0.00 0.00 58.87 53.83 1a67 n SER 74 Cb 0.20 -0.54 0.11 0.00 -0.75 0.00 0.00 64.21 63.23 1a67 n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1a67 n SER 75 N -0.76 1.38 0.00 -3.46 2.88 -1.26 -4.79 113.62 107.62 1a67 n SER 75 Ca 0.49 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1a67 n SER 75 Cb 0.85 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 76 N -0.58 0.05 3.88 0.46 0.00 -1.26 -5.12 105.19 102.62 1a67 n GLY 76 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1a67 n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a67 s ASP 77 N -2.00 4.94 -0.41 1.61 -4.77 -1.26 -5.07 116.67 109.70 1a67 s ASP 77 Ca 0.00 -0.86 0.09 0.00 -3.30 0.00 0.00 52.55 48.49 1a67 s ASP 77 Cb 0.00 -0.35 0.36 0.00 -1.09 0.00 0.00 42.92 41.84 1a67 s ASP 77 CO 0.00 -0.76 1.07 0.18 0.70 0.00 0.00 175.17 176.36 1a67 n LEU 78 N -1.60 -1.10 0.00 2.11 4.32 -1.26 -4.97 117.00 114.50 1a67 n LEU 78 Ca 0.03 -3.94 0.00 0.00 -0.02 0.00 0.00 56.01 52.08 1a67 n LEU 78 Cb 0.62 0.62 0.00 0.00 -1.62 0.00 0.00 43.42 43.05 1a67 n LEU 78 CO 0.42 2.03 0.00 0.00 -1.22 0.00 0.00 177.39 178.61 1a67 n GLN 79 N 0.08 0.00 0.00 3.23 1.13 -1.26 -5.17 117.38 115.38 1a67 n GLN 79 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1a67 n GLN 79 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.09 1a67 n GLN 79 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1a67 n SER 80 N -0.51 3.16 -3.78 1.08 2.88 -1.26 -5.19 113.62 110.00 1a67 n SER 80 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1a67 n SER 80 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s GLU 82 N -3.72 0.57 0.47 0.00 8.01 -1.26 -4.98 118.70 117.79 1a67 s GLU 82 Ca 0.23 -0.32 0.15 0.00 0.01 0.00 0.00 54.97 55.03 1a67 s GLU 82 Cb -0.01 0.24 0.79 0.00 -4.31 0.00 0.00 34.13 30.84 1a67 s GLU 82 CO 0.11 -0.15 1.37 0.74 0.01 0.00 0.00 175.26 177.34 1a67 h PHE 83 N 4.07 0.00 -5.09 1.61 0.04 -1.92 -0.74 116.94 114.91 1a67 h PHE 83 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1a67 h PHE 83 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1a67 h PHE 83 CO 0.56 0.00 -0.35 1.58 -0.60 0.00 0.00 178.31 179.51 1a67 n HIS 84 N -2.32 -3.07 0.00 -0.55 -0.00 -1.26 -3.67 115.22 104.35 1a67 n HIS 84 Ca -0.01 1.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.93 1a67 n HIS 84 Cb 0.49 -3.87 0.00 0.00 -0.00 0.00 0.00 29.99 26.61 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1a67 n ASP 85 N -0.65 0.00 -3.25 0.26 5.68 -1.26 -4.92 116.55 112.41 1a67 n ASP 85 Ca 0.08 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.19 1a67 n ASP 85 Cb 0.44 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.35 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a67 s GLU 86 N -0.21 1.85 -0.08 0.11 0.41 -1.25 -5.03 118.70 114.50 1a67 s GLU 86 Ca 0.00 -1.96 -0.02 0.00 -0.41 0.00 0.00 54.97 52.58 1a67 s GLU 86 Cb 0.00 0.37 -0.01 0.00 -1.78 0.00 0.00 34.13 32.71 1a67 s GLU 86 CO 0.00 -0.72 -0.03 -1.00 -0.49 0.00 0.00 175.26 173.02 1a67 h PRO 87 N 2.10 0.00 0.00 0.39 0.13 -2.03 -1.08 132.00 131.51 1a67 h PRO 87 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1a67 h PRO 87 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a67 h PRO 87 CO 0.36 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.04 1a67 h GLU 88 N -0.73 0.00 -0.61 0.86 5.08 -2.08 -0.36 114.58 116.73 1a67 h GLU 88 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 1a67 h GLU 88 Cb 0.09 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.07 1a67 h GLU 88 CO 0.00 0.03 -0.24 -1.33 -1.00 0.00 0.00 179.01 176.47 1a67 n MET 89 N -3.48 2.69 -1.18 2.33 2.81 -1.25 -5.06 117.12 113.98 1a67 n MET 89 Ca -0.02 -3.62 -0.38 0.00 -1.81 0.00 0.00 57.70 51.87 1a67 n MET 89 Cb 0.13 -2.08 -0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 n ALA 90 N -0.92 -2.87 -3.56 3.04 0.00 -0.15 -3.93 120.51 112.13 1a67 n ALA 90 Ca 0.42 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1a67 n ALA 90 Cb 0.92 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 1a67 n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1a67 s LYS 91 N -0.91 1.04 0.00 0.00 2.20 -1.26 -4.89 119.74 115.91 1a67 s LYS 91 Ca 0.54 -1.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1a67 s LYS 91 Cb -0.57 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1a67 s LYS 91 CO 0.58 -1.25 0.00 0.66 -0.36 0.00 0.00 175.35 174.98 1a67 n TYR 92 N 3.39 0.00 -3.64 4.03 4.02 -1.26 -4.09 117.16 119.61 1a67 n TYR 92 Ca 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.00 1a67 n TYR 92 Cb 0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 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 0.59 0.00 0.17 -0.72 2.01 0.13 -4.90 115.64 112.92 1a67 s THR 93 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1a67 s THR 93 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1a67 s THR 93 CO 0.00 0.00 0.41 0.28 -0.69 0.00 0.00 174.62 174.62 1a67 s THR 94 N 0.62 5.13 -0.23 -0.82 -1.32 -1.26 -0.73 115.64 117.03 1a67 s THR 94 Ca -0.01 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.39 1a67 s THR 94 Cb -0.04 -3.65 0.09 0.00 -1.51 0.00 0.00 72.50 67.39 1a67 s THR 94 CO -0.11 -0.04 0.54 0.00 -2.21 0.00 0.00 174.62 172.80 1a67 s THR 96 N 2.11 5.21 0.27 0.00 2.01 -0.59 -1.18 115.64 123.48 1a67 s THR 96 Ca -0.07 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1a67 s THR 96 Cb -0.09 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1a67 s THR 96 CO -0.16 0.21 0.91 -0.36 -0.69 0.00 0.00 174.62 174.53 1a67 s PHE 97 N 1.74 3.80 -0.27 4.92 0.08 0.27 0.76 117.98 129.27 1a67 s PHE 97 Ca 0.07 1.78 -0.00 0.00 0.12 0.00 0.00 56.93 58.89 1a67 s PHE 97 Cb -0.16 -2.90 0.08 0.00 -0.57 0.00 0.00 43.02 39.47 1a67 s PHE 97 CO 0.10 0.33 0.05 0.08 -0.10 0.00 0.00 175.22 175.68 1a67 s VAL 98 N -1.43 1.11 0.47 -0.44 1.01 -1.09 -1.32 120.40 118.71 1a67 s VAL 98 Ca 0.45 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1a67 s VAL 98 Cb -0.21 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1a67 s VAL 98 CO 0.26 -0.45 0.67 -0.69 0.00 0.00 0.00 175.10 174.90 1a67 s VAL 99 N 1.54 3.27 0.08 2.92 1.01 0.03 -1.63 120.40 127.61 1a67 s VAL 99 Ca 0.04 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1a67 s VAL 99 Cb -0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1a67 s VAL 99 CO -0.16 -0.11 -0.15 -0.47 0.00 0.00 0.00 175.10 174.20 1a67 s TYR 100 N -2.56 1.33 -0.31 5.22 5.04 -0.57 -1.39 117.35 124.10 1a67 s TYR 100 Ca 0.53 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1a67 s TYR 100 Cb -0.10 -0.74 0.16 0.00 0.35 0.00 0.00 41.96 41.63 1a67 s TYR 100 CO 0.36 0.09 0.43 0.45 -1.34 0.00 0.00 175.55 175.54 1a67 s SER 101 N -1.78 0.30 -0.29 4.32 0.15 -0.00 -1.25 113.70 115.16 1a67 s SER 101 Ca -0.00 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1a67 s SER 101 Cb -0.10 1.11 0.17 0.00 -1.71 0.00 0.00 66.02 65.50 1a67 s SER 101 CO 0.03 -0.32 0.48 -0.63 1.20 0.00 0.00 173.24 173.99 1a67 s ILE 102 N 2.32 -0.77 -1.01 6.45 1.09 -0.72 -1.68 121.20 126.87 1a67 s ILE 102 Ca 0.11 -0.17 0.26 0.00 -1.10 0.00 0.00 60.65 59.75 1a67 s ILE 102 Cb -0.12 -0.99 0.10 0.00 -1.06 0.00 0.00 42.46 40.39 1a67 s ILE 102 CO -0.24 -0.17 1.61 -0.81 -0.10 0.00 0.00 174.94 175.23 1a67 n PRO 103 N 5.38 0.01 0.05 2.79 -0.04 -1.26 0.11 135.00 142.05 1a67 n PRO 103 Ca 0.02 -0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1a67 n PRO 103 Cb 0.51 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.49 0.41 -2.02 0.54 -0.00 -1.26 -4.10 117.44 109.52 1a67 n TRP 104 Ca 0.06 0.14 -0.01 0.00 -0.00 0.00 0.00 57.50 57.69 1a67 n TRP 104 Cb 0.34 -0.72 -0.01 0.00 -0.00 0.00 0.00 31.31 30.91 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 -1.85 -0.18 0.00 5.67 4.77 -1.26 -5.05 117.00 119.10 1a67 n LEU 105 Ca 0.05 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1a67 n LEU 105 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1a67 n LEU 105 CO 0.23 1.01 0.00 -3.20 -1.33 0.00 0.00 177.39 174.10 1a67 n ASN 106 N 0.02 0.00 0.00 -1.43 4.05 -1.22 -5.14 115.26 111.54 1a67 n ASN 106 Ca -0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1a67 n ASN 106 Cb 0.59 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.60 1a67 n ASN 106 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1a67 n GLN 107 N 0.00 -1.75 -3.51 1.20 7.27 0.30 -4.82 117.38 116.08 1a67 n GLN 107 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 1a67 n GLN 107 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1a67 n GLN 107 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1a67 s ILE 108 N -3.00 5.02 0.00 1.69 2.07 -1.26 -1.75 121.20 123.97 1a67 s ILE 108 Ca 0.00 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 59.81 1a67 s ILE 108 Cb 0.00 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.92 1a67 s ILE 108 CO 0.00 0.27 0.00 0.29 -1.91 0.00 0.00 174.94 173.59 1a67 n LYS 109 N 0.87 0.16 -3.42 3.50 5.02 -0.38 -4.93 118.16 118.98 1a67 n LYS 109 Ca -0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 1a67 n LYS 109 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1a67 s LEU 110 N 0.00 1.14 0.02 -0.35 2.96 -1.26 -1.51 118.68 119.68 1a67 s LEU 110 Ca 0.00 -2.57 -0.04 0.00 -0.22 0.00 0.00 54.13 51.29 1a67 s LEU 110 Cb 0.00 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.29 1a67 s LEU 110 CO 0.00 -0.25 0.92 -0.11 -1.32 0.00 0.00 176.35 175.59 1a67 n LEU 111 N 3.50 -0.15 0.00 -0.68 7.94 -0.65 -4.89 117.00 122.07 1a67 n LEU 111 Ca 0.20 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1a67 n LEU 111 Cb 0.42 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1a67 n LEU 111 CO 0.11 -0.56 0.00 1.21 -1.11 0.00 0.00 177.39 177.05 1a67 n GLU 112 N -3.22 0.00 -2.30 1.96 2.13 -1.20 -5.03 120.64 112.98 1a67 n GLU 112 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1a67 n GLU 112 Cb 0.04 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.73 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a67 s SER 113 N 0.00 6.32 -0.61 4.31 1.04 -1.26 -2.69 113.70 120.81 1a67 s SER 113 Ca 0.00 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.16 1a67 s SER 113 Cb 0.00 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.92 1a67 s SER 113 CO 0.00 -0.79 0.96 1.17 0.98 0.00 0.00 173.24 175.56 1a67 n LYS 114 N -1.66 3.25 -3.66 4.02 3.00 0.23 -4.87 118.16 118.47 1a67 n LYS 114 Ca 0.08 -4.83 -0.37 0.00 -0.00 0.00 0.00 58.31 53.18 1a67 n LYS 114 Cb 0.53 -2.25 -0.06 0.00 0.00 0.00 0.00 35.03 33.25 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40