#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rce n SER 39 N 0.00 5.00 -0.23 1.67 3.41 -1.26 -4.64 113.62 117.57 2rce n SER 39 Ca 0.00 -2.66 0.10 0.00 -0.26 0.00 0.00 58.87 56.06 2rce n SER 39 Cb 0.00 -0.60 0.37 0.00 -0.26 0.00 0.00 64.21 63.72 2rce n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rce h THR 40 N 3.81 0.90 -0.05 6.66 1.03 -2.10 -1.54 112.91 121.62 2rce h THR 40 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2rce h THR 40 Cb 1.62 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2rce h THR 40 CO 0.32 0.13 0.00 0.47 -0.01 0.00 0.00 175.52 176.43 2rce n ASP 41 N -4.52 2.66 -4.81 0.00 8.00 -1.26 -4.94 116.55 111.67 2rce n ASP 41 Ca 0.15 -1.81 -0.32 0.00 0.71 0.00 0.00 54.79 53.51 2rce n ASP 41 Cb 0.39 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 2rce n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rce s GLU 42 N -1.58 3.26 -0.20 -1.24 2.02 -0.58 -5.04 118.70 115.34 2rce s GLU 42 Ca 0.23 1.12 -0.02 0.00 0.02 0.00 0.00 54.97 56.33 2rce s GLU 42 Cb 0.16 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.37 2rce s GLU 42 CO 0.24 -0.85 -0.11 0.99 0.02 0.00 0.00 175.26 175.56 2rce s THR 43 N -2.62 2.89 0.27 3.63 2.01 -1.26 -5.04 115.64 115.51 2rce s THR 43 Ca 0.62 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2rce s THR 43 Cb -0.15 -2.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.98 2rce s THR 43 CO 0.41 0.47 1.44 -2.84 -0.69 0.00 0.00 174.62 173.41 2rce s PRO 44 N 1.30 4.26 0.25 4.92 0.02 -1.26 -4.96 135.00 139.52 2rce s PRO 44 Ca 0.04 2.33 -0.31 0.00 0.02 0.00 0.00 61.00 63.08 2rce s PRO 44 Cb -0.14 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.17 2rce s PRO 44 CO -0.06 -0.41 1.49 0.00 -0.33 0.00 0.00 177.00 177.70 2rce n ALA 45 N 1.95 1.66 -3.56 -1.55 0.00 -1.26 -4.98 120.51 112.76 2rce n ALA 45 Ca 0.05 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 2rce n ALA 45 Cb 0.40 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 2rce n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rce s SER 46 N 0.44 -0.65 -0.26 0.00 0.15 -1.26 -5.02 113.70 107.10 2rce s SER 46 Ca 0.68 0.92 0.12 0.00 0.70 0.00 0.00 55.95 58.36 2rce s SER 46 Cb -0.60 0.81 0.54 0.00 -1.71 0.00 0.00 66.02 65.06 2rce s SER 46 CO 0.48 -0.46 1.50 -1.22 1.20 0.00 0.00 173.24 174.73 2rce n TYR 47 N 1.49 1.23 0.01 3.44 4.02 -1.26 -4.73 117.16 121.36 2rce n TYR 47 Ca -0.16 -1.31 0.05 0.00 -0.01 0.00 0.00 57.90 56.47 2rce n TYR 47 Cb 0.56 -0.46 0.46 0.00 -0.02 0.00 0.00 39.34 39.88 2rce n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2rce h ASN 48 N 1.38 0.41 -0.17 7.72 -0.73 -1.95 -2.45 115.58 119.80 2rce h ASN 48 Ca 0.17 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.37 2rce h ASN 48 Cb 1.69 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 40.14 2rce h ASN 48 CO 0.39 0.29 -0.11 0.25 -0.37 0.00 0.00 177.43 177.89 2rce h LEU 49 N 0.48 -0.35 -0.95 0.34 5.85 -1.89 0.13 115.31 118.92 2rce h LEU 49 Ca 0.15 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2rce h LEU 49 Cb 0.02 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2rce h LEU 49 CO -0.04 -0.14 0.62 0.00 -0.34 0.00 0.00 178.44 178.54 2rce h ALA 50 N 1.03 1.25 0.27 1.25 0.00 -1.58 -1.81 119.26 119.67 2rce h ALA 50 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2rce h ALA 50 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2rce h ALA 50 CO -0.23 0.52 -0.13 0.28 0.00 0.00 0.00 179.25 179.69 2rce h VAL 51 N 1.22 0.75 -0.89 0.00 2.07 -0.97 -0.66 116.25 117.77 2rce h VAL 51 Ca 0.37 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.84 2rce h VAL 51 Cb -0.03 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2rce h VAL 51 CO -0.11 0.03 0.58 0.03 0.02 0.00 0.00 177.57 178.11 2rce h ARG 52 N -0.42 0.96 -0.10 1.57 3.08 -0.59 -0.30 114.38 118.58 2rce h ARG 52 Ca -0.04 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 2rce h ARG 52 Cb 0.32 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2rce h ARG 52 CO 0.06 0.64 -0.78 0.00 -1.07 0.00 0.00 179.97 178.82 2rce h ARG 53 N 0.99 0.71 0.00 0.04 3.08 -1.19 -3.42 114.38 114.59 2rce h ARG 53 Ca 0.39 -0.62 -0.31 0.00 0.07 0.00 0.00 59.98 59.50 2rce h ARG 53 Cb 0.23 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2rce h ARG 53 CO -0.15 1.23 -2.17 0.00 -1.07 0.00 0.00 179.97 177.82 2rce n ALA 54 N -2.61 1.56 -0.13 0.04 0.00 -0.27 -4.57 120.51 114.53 2rce n ALA 54 Ca -0.09 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.53 2rce n ALA 54 Cb 0.75 0.04 0.36 0.00 0.00 0.00 0.00 19.45 20.60 2rce n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rce h ALA 55 N -0.04 1.68 0.00 0.00 0.00 -1.22 -1.94 119.26 117.74 2rce h ALA 55 Ca -0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2rce h ALA 55 Cb 1.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2rce h ALA 55 CO -0.08 0.25 -0.00 -1.35 0.00 0.00 0.00 179.25 178.06 2rce h PRO 56 N 0.73 0.00 -0.01 0.00 0.11 -1.80 -1.99 132.00 129.04 2rce h PRO 56 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2rce h PRO 56 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2rce h PRO 56 CO -0.07 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 177.42 2rce n ALA 57 N -2.20 3.15 -2.66 -0.75 0.00 -0.73 -4.52 120.51 112.79 2rce n ALA 57 Ca -0.03 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 2rce n ALA 57 Cb 0.08 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 2rce n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rce s VAL 58 N -2.58 5.23 0.22 0.00 1.01 -0.75 -0.67 120.40 122.86 2rce s VAL 58 Ca 0.22 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2rce s VAL 58 Cb 0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2rce s VAL 58 CO 0.55 0.26 0.01 0.68 0.00 0.00 0.00 175.10 176.60 2rce s VAL 59 N 1.32 3.65 -0.13 2.92 -7.23 0.46 -4.54 120.40 116.85 2rce s VAL 59 Ca 0.17 -1.64 -0.21 0.00 -1.81 0.00 0.00 61.98 58.48 2rce s VAL 59 Cb -0.15 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 2rce s VAL 59 CO 0.07 -0.25 0.64 0.20 -0.31 0.00 0.00 175.10 175.45 2rce s ASN 60 N -3.34 6.81 -0.20 4.85 0.01 -0.28 -1.30 114.94 121.49 2rce s ASN 60 Ca 0.29 0.98 -0.05 0.00 -0.71 0.00 0.00 52.86 53.38 2rce s ASN 60 Cb -0.08 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 2rce s ASN 60 CO 0.20 -0.17 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.93 2rce s VAL 61 N 1.25 3.95 -0.20 1.60 1.01 -0.28 -0.84 120.40 126.89 2rce s VAL 61 Ca 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2rce s VAL 61 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2rce s VAL 61 CO 0.13 0.43 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 2rce s TYR 62 N 0.99 2.90 -0.52 5.22 1.51 0.92 -1.16 117.35 127.22 2rce s TYR 62 Ca 0.02 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.83 2rce s TYR 62 Cb -0.14 -2.03 0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2rce s TYR 62 CO 0.02 -0.54 0.81 1.21 -1.11 0.00 0.00 175.55 175.93 2rce s ASN 63 N 1.25 6.31 -0.10 2.29 3.84 0.10 -0.93 114.94 127.70 2rce s ASN 63 Ca 0.03 -0.50 -0.05 0.00 0.21 0.00 0.00 52.86 52.55 2rce s ASN 63 Cb -0.14 -2.38 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 2rce s ASN 63 CO -0.04 -1.06 0.10 -0.13 -2.79 0.00 0.00 177.10 173.18 2rce s ARG 64 N 3.39 3.30 0.08 0.43 0.52 0.19 0.38 118.95 127.23 2rce s ARG 64 Ca 0.25 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 2rce s ARG 64 Cb -0.15 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 2rce s ARG 64 CO 0.17 0.75 -0.09 0.20 0.02 0.00 0.00 175.30 176.35 2rce s GLY 65 N -1.07 0.72 0.08 -3.53 0.00 0.14 -2.07 107.32 101.60 2rce s GLY 65 Ca 0.16 -1.04 -0.31 0.00 0.00 0.00 0.00 44.72 43.53 2rce s GLY 65 CO 0.05 -1.11 1.66 1.08 0.00 0.00 0.00 173.10 174.78 2rce s LEU 66 N -2.13 4.37 -0.03 0.66 1.43 -1.26 -0.19 118.68 121.52 2rce s LEU 66 Ca 0.00 2.52 -0.02 0.00 -1.03 0.00 0.00 54.13 55.60 2rce s LEU 66 Cb -0.05 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2rce s LEU 66 CO -0.00 -0.89 -0.04 -3.20 0.23 0.00 0.00 176.35 172.44 2rce n ASN 67 N 5.47 0.42 0.00 2.29 2.85 -1.26 -4.86 115.26 120.17 2rce n ASN 67 Ca 0.16 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 2rce n ASN 67 Cb 0.40 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.84 2rce n ASN 67 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2rce n GLN 73 N -2.81 0.00 -3.66 1.20 7.27 -1.26 -5.03 117.38 113.09 2rce n GLN 73 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.99 2rce n GLN 73 Cb 0.06 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.64 2rce n GLN 73 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2rce s LEU 74 N 0.00 -0.80 0.24 1.69 2.96 -1.26 -5.01 118.68 116.50 2rce s LEU 74 Ca 0.00 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 2rce s LEU 74 Cb 0.00 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.49 2rce s LEU 74 CO 0.00 -0.22 0.04 -0.70 -1.32 0.00 0.00 176.35 174.15 2rce s GLU 75 N 2.40 1.36 -0.07 1.98 2.12 0.73 -4.93 118.70 122.30 2rce s GLU 75 Ca -0.06 -1.71 -0.27 0.00 0.36 0.00 0.00 54.97 53.29 2rce s GLU 75 Cb -0.10 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.80 2rce s GLU 75 CO -0.16 -0.19 0.86 0.42 -0.54 0.00 0.00 175.26 175.65 2rce s ILE 76 N -3.57 4.92 -0.05 -3.70 1.01 -1.26 0.25 121.20 118.80 2rce s ILE 76 Ca 0.32 1.76 -0.06 0.00 0.00 0.00 0.00 60.65 62.67 2rce s ILE 76 Cb 0.07 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2rce s ILE 76 CO 0.11 0.14 -0.12 0.54 0.00 0.00 0.00 174.94 175.61 2rce n ARG 77 N 4.31 0.18 -4.32 2.79 5.12 0.16 -4.90 116.66 120.00 2rce n ARG 77 Ca 0.04 0.07 -0.28 0.00 -1.93 0.00 0.00 57.85 55.74 2rce n ARG 77 Cb 0.50 -0.75 -0.11 0.00 -1.16 0.00 0.00 32.46 30.94 2rce n ARG 77 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rce s THR 78 N -1.75 2.82 0.05 0.55 2.01 -1.18 -5.02 115.64 113.13 2rce s THR 78 Ca -0.10 -1.63 0.03 0.00 0.31 0.00 0.00 61.69 60.30 2rce s THR 78 Cb 0.01 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2rce s THR 78 CO 0.15 0.02 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.51 2rce s LEU 79 N -2.38 2.25 0.00 4.42 0.05 -1.26 -0.72 118.68 121.03 2rce s LEU 79 Ca 0.20 -0.55 0.00 0.00 0.05 0.00 0.00 54.13 53.83 2rce s LEU 79 Cb -0.10 -0.28 0.00 0.00 -2.05 0.00 0.00 46.19 43.76 2rce s LEU 79 CO 0.11 -0.15 0.00 0.61 -0.55 0.00 0.00 176.35 176.37 2rce n GLY 80 N 1.49 3.98 3.47 -3.48 0.00 -0.31 -4.23 105.19 106.11 2rce n GLY 80 Ca -0.22 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 2rce n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rce s SER 81 N 1.64 2.46 0.19 1.61 0.01 -1.20 -1.13 113.70 117.28 2rce s SER 81 Ca 0.00 -1.49 -0.18 0.00 1.31 0.00 0.00 55.95 55.59 2rce s SER 81 Cb 0.00 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.42 2rce s SER 81 CO 0.00 -0.73 0.54 -0.83 0.41 0.00 0.00 173.24 172.62 2rce s GLY 82 N -3.52 -0.18 -0.11 3.44 0.00 -0.42 -4.00 107.32 102.52 2rce s GLY 82 Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.94 2rce s GLY 82 CO 0.15 -0.19 -0.13 0.14 0.00 0.00 0.00 173.10 173.06 2rce s VAL 83 N -3.85 1.39 -0.20 1.40 1.01 0.44 -0.40 120.40 120.19 2rce s VAL 83 Ca 0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2rce s VAL 83 Cb -0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2rce s VAL 83 CO -0.04 0.42 1.30 -0.63 0.00 0.00 0.00 175.10 176.15 2rce s ILE 84 N 1.18 4.20 -0.13 2.22 1.01 0.16 -1.09 121.20 128.74 2rce s ILE 84 Ca -0.03 1.42 0.13 0.00 0.00 0.00 0.00 60.65 62.17 2rce s ILE 84 Cb -0.14 -4.00 -0.24 0.00 0.01 0.00 0.00 42.46 38.09 2rce s ILE 84 CO -0.04 -0.22 0.32 0.23 0.00 0.00 0.00 174.94 175.22 2rce n MET 85 N 6.85 0.67 -3.94 2.79 2.81 0.11 -1.43 117.12 124.99 2rce n MET 85 Ca 0.14 0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 56.09 2rce n MET 85 Cb 0.45 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 2rce n MET 85 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2rce s ASP 86 N -5.93 0.10 0.23 7.83 1.47 -1.24 -4.62 116.67 114.51 2rce s ASP 86 Ca -0.11 -1.03 0.21 0.00 1.18 0.00 0.00 52.55 52.81 2rce s ASP 86 Cb 0.07 0.70 0.93 0.00 -0.34 0.00 0.00 42.92 44.28 2rce s ASP 86 CO 0.81 -1.36 1.65 0.00 0.68 0.00 0.00 175.17 176.95 2rce n GLN 87 N -0.47 0.16 0.24 2.11 1.13 -1.26 -2.20 117.38 117.09 2rce n GLN 87 Ca -0.03 0.43 0.16 0.00 -1.94 0.00 0.00 57.00 55.62 2rce n GLN 87 Cb 0.61 -1.82 0.61 0.00 0.11 0.00 0.00 30.24 29.75 2rce n GLN 87 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rce h ARG 88 N 0.00 0.00 0.00 -1.09 3.08 -1.96 -3.44 114.38 110.97 2rce h ARG 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rce h ARG 88 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2rce h ARG 88 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2rce n GLY 89 N 0.11 0.98 3.71 0.04 0.00 -0.93 -4.41 105.19 104.69 2rce n GLY 89 Ca 0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2rce n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rce s TYR 90 N -2.00 3.58 -0.10 1.61 1.51 -1.26 -1.75 117.35 118.95 2rce s TYR 90 Ca 0.00 1.41 0.03 0.00 -1.01 0.00 0.00 57.07 57.50 2rce s TYR 90 Cb 0.00 -2.95 0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2rce s TYR 90 CO 0.00 0.00 -0.19 0.42 -1.11 0.00 0.00 175.55 174.67 2rce s ILE 91 N 1.09 1.74 -0.03 2.71 1.01 -0.34 -0.71 121.20 126.66 2rce s ILE 91 Ca 0.43 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2rce s ILE 91 Cb -0.19 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2rce s ILE 91 CO 0.21 0.49 0.56 -0.63 0.00 0.00 0.00 174.94 175.57 2rce s ILE 92 N 0.59 4.98 0.00 2.92 1.01 -0.25 -0.20 121.20 130.25 2rce s ILE 92 Ca -0.14 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2rce s ILE 92 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2rce s ILE 92 CO 0.05 0.40 0.00 1.07 0.00 0.00 0.00 174.94 176.45 2rce n THR 93 N 2.93 0.00 -3.95 2.92 5.66 -0.10 -0.42 114.28 121.32 2rce n THR 93 Ca -0.07 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.57 2rce n THR 93 Cb 0.51 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 2rce n THR 93 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2rce s ASN 94 N -0.67 6.02 0.29 1.09 2.47 -1.26 -1.75 114.94 121.13 2rce s ASN 94 Ca 0.00 0.29 -0.02 0.00 0.42 0.00 0.00 52.86 53.55 2rce s ASN 94 Cb 0.00 -1.96 0.42 0.00 -1.45 0.00 0.00 41.25 38.26 2rce s ASN 94 CO 0.00 0.31 1.94 0.50 -3.72 0.00 0.00 177.10 176.13 2rce h LYS 95 N 5.70 1.12 0.00 0.43 3.64 -1.61 -2.43 116.57 123.42 2rce h LYS 95 Ca -0.48 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 2rce h LYS 95 Cb 1.19 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2rce h LYS 95 CO 0.64 0.74 -0.28 0.45 -2.27 0.00 0.00 179.45 178.73 2rce h HIS 96 N 1.16 0.00 -0.37 1.91 3.86 -1.96 -2.15 115.15 117.60 2rce h HIS 96 Ca 0.36 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.53 2rce h HIS 96 Cb -0.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2rce h HIS 96 CO -0.00 0.28 0.08 0.28 0.86 0.00 0.00 177.93 179.44 2rce h VAL 97 N 0.00 1.23 -0.02 2.45 2.07 -1.82 -3.31 116.25 116.85 2rce h VAL 97 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2rce h VAL 97 Cb 0.66 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2rce h VAL 97 CO 0.04 0.27 -0.19 2.30 0.02 0.00 0.00 177.57 180.01 2rce n ILE 98 N -4.58 0.00 -1.71 4.57 -6.64 -1.07 -4.51 119.36 105.42 2rce n ILE 98 Ca -0.01 -0.30 -0.43 0.00 -1.77 0.00 0.00 62.75 60.24 2rce n ILE 98 Cb 0.21 1.00 -0.02 0.00 -1.44 0.00 0.00 39.64 39.39 2rce n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2rce n ASN 99 N 0.32 3.43 -2.59 7.28 5.03 -0.83 -2.87 115.26 125.02 2rce n ASN 99 Ca 0.13 1.14 -0.19 0.00 0.87 0.00 0.00 54.58 56.53 2rce n ASN 99 Cb 0.46 -1.53 0.00 0.00 -1.02 0.00 0.00 39.78 37.70 2rce n ASN 99 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2rce n ASP 100 N 2.26 -5.37 -4.74 6.41 9.92 -1.26 -4.96 116.55 118.80 2rce n ASP 100 Ca 0.10 -0.05 -0.41 0.00 -0.53 0.00 0.00 54.79 53.91 2rce n ASP 100 Cb 0.34 -4.46 -0.05 0.00 -0.64 0.00 0.00 41.12 36.32 2rce n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rce s ALA 101 N -2.97 3.29 0.16 2.24 0.00 -1.14 -4.94 121.76 118.42 2rce s ALA 101 Ca 0.09 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2rce s ALA 101 Cb -0.04 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2rce s ALA 101 CO 0.11 0.07 1.37 -0.44 0.00 0.00 0.00 175.76 176.87 2rce h ASP 102 N 4.91 0.24 -3.42 0.00 3.32 -1.78 -3.46 116.42 116.22 2rce h ASP 102 Ca -0.44 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 2rce h ASP 102 Cb 1.21 -0.07 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 2rce h ASP 102 CO 0.70 1.00 -0.21 -1.58 -1.72 0.00 0.00 179.24 177.44 2rce s GLN 103 N -3.18 0.49 -0.23 3.56 0.74 -0.93 -5.04 119.66 115.06 2rce s GLN 103 Ca -0.03 0.80 -0.07 0.00 0.05 0.00 0.00 55.36 56.12 2rce s GLN 103 Cb 0.10 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 2rce s GLN 103 CO 0.83 -0.13 0.06 0.42 -0.55 0.00 0.00 175.29 175.92 2rce s ILE 104 N 1.04 4.33 -0.10 -2.34 1.01 -1.26 -0.64 121.20 123.24 2rce s ILE 104 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 2rce s ILE 104 Cb -0.06 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2rce s ILE 104 CO -0.09 0.36 -0.04 -0.63 0.00 0.00 0.00 174.94 174.54 2rce s ILE 105 N 1.38 3.92 -0.16 2.92 -1.09 -0.10 -0.33 121.20 127.75 2rce s ILE 105 Ca 0.05 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2rce s ILE 105 Cb -0.15 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2rce s ILE 105 CO 0.03 0.57 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.46 2rce s VAL 106 N -0.52 2.54 -0.17 2.92 1.01 0.27 -0.05 120.40 126.40 2rce s VAL 106 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2rce s VAL 106 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2rce s VAL 106 CO 0.02 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 2rce s ALA 107 N 0.88 2.60 0.36 5.51 0.00 -0.02 -0.60 121.76 130.49 2rce s ALA 107 Ca -0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2rce s ALA 107 Cb -0.15 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2rce s ALA 107 CO -0.02 -0.07 0.64 -0.51 0.00 0.00 0.00 175.76 175.80 2rce s LEU 108 N 0.88 3.92 0.52 0.00 1.02 0.21 -1.13 118.68 124.10 2rce s LEU 108 Ca -0.03 0.76 0.34 0.00 0.02 0.00 0.00 54.13 55.22 2rce s LEU 108 Cb -0.15 -3.63 1.49 0.00 0.02 0.00 0.00 46.19 43.92 2rce s LEU 108 CO -0.00 -0.33 2.00 1.56 0.02 0.00 0.00 176.35 179.60 2rce h GLN 109 N 1.08 0.00 -0.00 1.70 1.08 -1.80 -2.05 115.11 115.11 2rce h GLN 109 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2rce h GLN 109 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2rce h GLN 109 CO 0.64 0.00 -0.03 -0.40 -0.95 0.00 0.00 178.83 178.09 2rce n ASP 110 N -2.94 0.34 0.00 1.46 5.68 -1.26 -4.91 116.55 114.92 2rce n ASP 110 Ca 0.00 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 2rce n ASP 110 Cb 0.25 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2rce n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rce n GLY 111 N 1.14 0.30 3.76 6.12 0.00 -0.77 -5.07 105.19 110.66 2rce n GLY 111 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2rce n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rce s ARG 112 N -0.83 4.64 -0.07 1.61 0.52 -1.26 -4.85 118.95 118.70 2rce s ARG 112 Ca 0.00 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.04 2rce s ARG 112 Cb 0.00 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.28 2rce s ARG 112 CO 0.00 0.20 -0.16 0.08 0.02 0.00 0.00 175.30 175.43 2rce s VAL 113 N -1.09 1.45 0.07 3.52 1.01 -1.26 -0.62 120.40 123.48 2rce s VAL 113 Ca 0.45 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2rce s VAL 113 Cb -0.32 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2rce s VAL 113 CO 0.41 0.42 -0.17 -0.36 0.00 0.00 0.00 175.10 175.40 2rce s PHE 114 N 0.48 1.45 -0.05 5.22 0.40 0.23 -5.00 117.98 120.71 2rce s PHE 114 Ca -0.14 -0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 55.48 2rce s PHE 114 Cb -0.16 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 2rce s PHE 114 CO 0.05 0.11 0.92 -2.00 0.70 0.00 0.00 175.22 175.00 2rce s GLU 115 N -1.66 4.48 -0.02 0.44 2.12 -1.26 -0.56 118.70 122.24 2rce s GLU 115 Ca 0.02 1.28 -0.03 0.00 0.36 0.00 0.00 54.97 56.60 2rce s GLU 115 Cb -0.10 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2rce s GLU 115 CO 0.03 -0.12 0.17 0.00 -0.54 0.00 0.00 175.26 174.80 2rce s ALA 116 N 1.31 3.93 -0.11 6.30 0.00 0.56 -4.69 121.76 129.05 2rce s ALA 116 Ca 0.47 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 2rce s ALA 116 Cb -0.19 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2rce s ALA 116 CO 0.22 0.74 0.07 -0.51 0.00 0.00 0.00 175.76 176.28 2rce s LEU 117 N -1.87 3.94 -0.34 0.00 1.43 0.09 -4.39 118.68 117.55 2rce s LEU 117 Ca 0.26 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2rce s LEU 117 Cb -0.13 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2rce s LEU 117 CO 0.17 0.36 1.26 -0.22 0.23 0.00 0.00 176.35 178.16 2rce s LEU 118 N -0.75 3.82 -0.03 1.79 1.98 -1.26 -0.62 118.68 123.62 2rce s LEU 118 Ca 0.12 1.05 -0.21 0.00 -2.89 0.00 0.00 54.13 52.21 2rce s LEU 118 Cb -0.12 -3.54 -0.30 0.00 0.66 0.00 0.00 46.19 42.89 2rce s LEU 118 CO 0.03 -1.11 0.95 0.58 -1.89 0.00 0.00 176.35 174.90 2rce h VAL 119 N 6.02 1.48 0.00 1.68 2.07 -1.35 -3.48 116.25 122.66 2rce h VAL 119 Ca -0.25 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2rce h VAL 119 Cb 1.09 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 2rce h VAL 119 CO 1.05 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.96 2rce n GLY 120 N 1.56 1.01 3.10 2.17 0.00 -1.19 -4.90 105.19 106.94 2rce n GLY 120 Ca -0.13 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2rce n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rce s SER 121 N 0.00 0.31 -0.20 1.61 1.04 -1.26 -0.54 113.70 114.66 2rce s SER 121 Ca 0.00 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 2rce s SER 121 Cb 0.00 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.39 2rce s SER 121 CO 0.00 -0.56 -0.04 -0.62 0.98 0.00 0.00 173.24 173.00 2rce s ASP 122 N -2.50 3.26 0.28 7.02 2.15 0.82 -4.99 116.67 122.70 2rce s ASP 122 Ca 0.00 -0.89 0.12 0.00 0.43 0.00 0.00 52.55 52.21 2rce s ASP 122 Cb 0.03 -0.98 0.37 0.00 -0.30 0.00 0.00 42.92 42.04 2rce s ASP 122 CO -0.07 -0.22 1.61 0.77 -0.17 0.00 0.00 175.17 177.09 2rce h SER 123 N 8.07 0.00 -0.78 -0.34 4.64 -1.95 0.19 113.55 123.38 2rce h SER 123 Ca -0.21 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2rce h SER 123 Cb 1.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2rce h SER 123 CO 0.40 0.60 0.51 0.25 -0.87 0.00 0.00 176.83 177.72 2rce h LEU 124 N 0.00 0.83 -0.50 5.97 5.85 -1.96 -3.16 115.31 122.34 2rce h LEU 124 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2rce h LEU 124 Cb 1.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2rce h LEU 124 CO 0.08 0.58 -0.27 0.35 -0.34 0.00 0.00 178.44 178.84 2rce n THR 125 N -4.44 0.00 -1.58 1.05 -2.24 -1.17 -4.91 114.28 100.98 2rce n THR 125 Ca 0.10 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 2rce n THR 125 Cb 0.10 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 2rce n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2rce n ASP 126 N -0.57 -4.62 -4.92 3.42 2.03 0.64 -5.01 116.55 107.52 2rce n ASP 126 Ca 0.03 0.28 -0.31 0.00 0.52 0.00 0.00 54.79 55.31 2rce n ASP 126 Cb 0.18 -3.45 -0.04 0.00 -0.72 0.00 0.00 41.12 37.09 2rce n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2rce s LEU 127 N -3.38 4.35 0.03 -2.67 1.43 -1.03 -1.91 118.68 115.50 2rce s LEU 127 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2rce s LEU 127 Cb 0.00 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2rce s LEU 127 CO 0.00 0.16 -0.06 0.00 0.23 0.00 0.00 176.35 176.68 2rce s ALA 128 N -1.53 0.46 -0.09 4.21 0.00 -0.72 -0.13 121.76 123.97 2rce s ALA 128 Ca 0.35 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2rce s ALA 128 Cb -0.13 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2rce s ALA 128 CO 0.28 -0.02 -0.15 0.08 0.00 0.00 0.00 175.76 175.95 2rce s VAL 129 N -1.14 2.94 0.33 0.00 1.01 0.30 -0.92 120.40 122.92 2rce s VAL 129 Ca -0.09 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2rce s VAL 129 Cb -0.08 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2rce s VAL 129 CO 0.00 0.56 -0.00 -0.76 0.00 0.00 0.00 175.10 174.90 2rce s LEU 130 N -0.19 2.98 -0.04 3.92 1.43 0.72 -0.93 118.68 126.57 2rce s LEU 130 Ca -0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2rce s LEU 130 Cb -0.13 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.74 2rce s LEU 130 CO 0.03 -0.20 0.00 -0.75 0.23 0.00 0.00 176.35 175.66 2rce s LYS 131 N -3.70 0.34 0.39 1.70 2.47 0.21 -1.20 119.74 119.94 2rce s LYS 131 Ca 0.34 0.10 0.08 0.00 -1.56 0.00 0.00 55.97 54.93 2rce s LYS 131 Cb -0.01 -0.57 -0.08 0.00 -1.46 0.00 0.00 37.83 35.72 2rce s LYS 131 CO 0.19 -0.17 -0.02 0.96 0.16 0.00 0.00 175.35 176.47 2rce s ILE 132 N 1.24 2.07 -0.19 5.43 -4.36 -0.72 -0.73 121.20 123.94 2rce s ILE 132 Ca -0.07 -2.06 -0.29 0.00 -0.26 0.00 0.00 60.65 57.97 2rce s ILE 132 Cb -0.13 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 2rce s ILE 132 CO -0.02 -0.06 2.17 -3.20 0.24 0.00 0.00 174.94 174.06 2rce n ASN 133 N -0.91 3.29 0.18 4.36 5.15 -1.26 -4.56 115.26 121.49 2rce n ASN 133 Ca -0.05 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.42 2rce n ASN 133 Cb 0.66 -1.51 0.19 0.00 -0.53 0.00 0.00 39.78 38.58 2rce n ASN 133 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rce h ALA 134 N 13.83 0.91 -2.69 5.20 0.00 -1.85 -3.46 119.26 131.19 2rce h ALA 134 Ca -0.41 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 2rce h ALA 134 Cb 1.25 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.11 2rce h ALA 134 CO 0.96 0.00 0.99 0.99 0.00 0.00 0.00 179.25 182.20 2rce s THR 135 N -3.21 2.02 0.00 0.00 2.01 -1.26 -2.48 115.64 112.71 2rce s THR 135 Ca 0.07 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2rce s THR 135 Cb 0.07 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2rce s THR 135 CO 0.68 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 2rce n GLY 136 N 3.61 0.53 0.00 4.40 0.00 -1.26 -4.97 105.19 107.50 2rce n GLY 136 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2rce n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rce n GLY 137 N -1.50 -2.32 3.08 -0.02 0.00 -1.03 -5.08 105.19 98.32 2rce n GLY 137 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 2rce n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rce s LEU 138 N -1.79 2.13 0.29 0.99 1.43 -1.26 -5.06 118.68 115.41 2rce s LEU 138 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 2rce s LEU 138 Cb 0.00 -0.46 -0.10 0.00 0.03 0.00 0.00 46.19 45.67 2rce s LEU 138 CO 0.00 0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.56 2rce s PRO 139 N -0.88 4.57 0.13 1.29 0.04 -1.26 -4.89 135.00 134.01 2rce s PRO 139 Ca 0.00 1.84 0.09 0.00 0.04 0.00 0.00 61.00 62.97 2rce s PRO 139 Cb -0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2rce s PRO 139 CO 0.01 0.14 -0.20 0.95 0.04 0.00 0.00 177.00 177.93 2rce s THR 140 N -1.19 1.81 0.19 1.26 -4.23 -1.26 -4.59 115.64 107.63 2rce s THR 140 Ca 0.46 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.94 2rce s THR 140 Cb -0.32 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 71.71 2rce s THR 140 CO 0.42 -0.17 1.24 -0.51 -0.54 0.00 0.00 174.62 175.06 2rce s ILE 141 N -1.56 3.44 0.18 2.99 1.10 -0.51 -4.74 121.20 122.11 2rce s ILE 141 Ca 0.11 1.20 -0.31 0.00 -0.51 0.00 0.00 60.65 61.14 2rce s ILE 141 Cb -0.08 -3.76 -0.10 0.00 0.15 0.00 0.00 42.46 38.67 2rce s ILE 141 CO 0.06 0.18 1.52 -2.84 -2.11 0.00 0.00 174.94 171.74 2rce s PRO 142 N -0.15 4.24 -0.10 3.50 0.02 -1.26 -4.96 135.00 136.29 2rce s PRO 142 Ca 0.55 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.88 2rce s PRO 142 Cb -0.34 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.05 2rce s PRO 142 CO 0.37 -0.54 -0.07 0.42 -0.33 0.00 0.00 177.00 176.85 2rce s ILE 143 N 0.81 0.96 -0.49 2.83 1.01 -1.26 -0.89 121.20 124.17 2rce s ILE 143 Ca 0.66 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 2rce s ILE 143 Cb -0.43 -0.98 0.13 0.00 0.01 0.00 0.00 42.46 41.20 2rce s ILE 143 CO 0.35 0.35 0.34 0.21 0.00 0.00 0.00 174.94 176.19 2rce s ASN 144 N 1.57 5.58 0.34 3.58 3.84 -1.26 -4.96 114.94 123.63 2rce s ASN 144 Ca 0.02 -2.11 0.25 0.00 0.21 0.00 0.00 52.86 51.23 2rce s ASN 144 Cb -0.13 -1.95 1.20 0.00 -0.55 0.00 0.00 41.25 39.82 2rce s ASN 144 CO -0.06 -0.61 1.76 0.00 -2.79 0.00 0.00 177.10 175.40 2rce h ALA 145 N 8.12 1.00 -0.01 1.71 0.00 -1.98 -2.01 119.26 126.09 2rce h ALA 145 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rce h ALA 145 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2rce h ALA 145 CO 0.79 0.00 -0.67 0.54 0.00 0.00 0.00 179.25 179.91 2rce n ARG 146 N -2.37 0.59 -2.33 0.00 1.74 -1.26 -4.93 116.66 108.10 2rce n ARG 146 Ca 0.00 -0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 56.19 2rce n ARG 146 Cb 0.14 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 2rce n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2rce s ARG 147 N -2.73 4.33 -0.32 5.56 6.06 -0.76 -5.01 118.95 126.09 2rce s ARG 147 Ca 0.14 1.84 -0.15 0.00 -2.50 0.00 0.00 55.73 55.06 2rce s ARG 147 Cb 0.17 -3.51 -0.02 0.00 0.06 0.00 0.00 34.95 31.66 2rce s ARG 147 CO 0.70 -0.47 0.34 0.08 -2.50 0.00 0.00 175.30 173.46 2rce s VAL 148 N 2.01 5.19 0.19 7.11 1.01 -1.26 -5.04 120.40 129.61 2rce s VAL 148 Ca 0.60 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 2rce s VAL 148 Cb -0.29 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2rce s VAL 148 CO 0.26 -0.00 1.51 -2.84 0.00 0.00 0.00 175.10 174.02 2rce s PRO 149 N 2.00 4.24 0.05 2.72 0.02 -1.26 -5.02 135.00 137.75 2rce s PRO 149 Ca 0.12 2.31 0.08 0.00 0.02 0.00 0.00 61.00 63.53 2rce s PRO 149 Cb -0.16 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 2rce s PRO 149 CO 0.11 -0.53 -0.21 -1.01 -0.33 0.00 0.00 177.00 175.04 2rce s HIS 150 N 0.74 2.48 0.21 6.54 3.76 -1.26 -5.07 115.29 122.69 2rce s HIS 150 Ca 0.66 -0.31 -0.32 0.00 -0.15 0.00 0.00 55.06 54.94 2rce s HIS 150 Cb -0.42 -1.42 -0.12 0.00 1.11 0.00 0.00 32.58 31.73 2rce s HIS 150 CO 0.35 0.23 1.72 0.42 -0.85 0.00 0.00 174.74 176.61 2rce s ILE 151 N -0.92 2.04 0.00 0.60 1.01 -1.26 -1.60 121.20 121.07 2rce s ILE 151 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2rce s ILE 151 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2rce s ILE 151 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2rce n GLY 152 N 3.94 1.04 3.73 6.18 0.00 0.23 -4.97 105.19 115.34 2rce n GLY 152 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2rce n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rce s ASP 153 N -1.85 6.52 0.18 1.61 1.01 -0.63 -4.69 116.67 118.83 2rce s ASP 153 Ca 0.00 2.73 -0.31 0.00 0.71 0.00 0.00 52.55 55.68 2rce s ASP 153 Cb 0.00 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 2rce s ASP 153 CO 0.00 -0.85 1.55 -0.69 0.21 0.00 0.00 175.17 175.39 2rce s VAL 154 N 0.77 2.61 0.07 -1.27 1.01 -1.26 -0.78 120.40 121.54 2rce s VAL 154 Ca 0.68 0.45 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2rce s VAL 154 Cb -0.45 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2rce s VAL 154 CO 0.36 0.04 -0.11 0.68 0.00 0.00 0.00 175.10 176.07 2rce s VAL 155 N 0.90 0.91 -0.11 2.92 -7.23 -0.15 -3.59 120.40 114.06 2rce s VAL 155 Ca 0.68 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 2rce s VAL 155 Cb -0.44 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2rce s VAL 155 CO 0.34 -0.33 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.85 2rce s LEU 156 N -1.82 2.44 -0.11 1.32 1.43 0.75 -1.14 118.68 121.55 2rce s LEU 156 Ca -0.03 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2rce s LEU 156 Cb -0.09 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 2rce s LEU 156 CO 0.01 0.18 0.37 0.00 0.23 0.00 0.00 176.35 177.15 2rce s ALA 157 N 0.22 3.60 -0.12 4.21 0.00 0.31 -1.11 121.76 128.86 2rce s ALA 157 Ca -0.11 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2rce s ALA 157 Cb -0.16 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.54 2rce s ALA 157 CO 0.06 0.19 -0.12 0.42 0.00 0.00 0.00 175.76 176.31 2rce s ILE 158 N 0.06 1.35 0.00 0.00 1.01 0.17 -1.55 121.20 122.25 2rce s ILE 158 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2rce s ILE 158 Cb -0.14 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2rce s ILE 158 CO 0.08 0.42 0.08 0.61 0.00 0.00 0.00 174.94 176.13 2rce n GLY 159 N 4.64 0.86 2.65 6.18 0.00 -1.04 -2.09 105.19 116.39 2rce n GLY 159 Ca -0.16 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2rce n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rce n ASN 160 N -0.38 3.50 -4.74 1.61 5.15 -1.16 0.06 115.26 119.29 2rce n ASN 160 Ca 0.00 -3.34 -0.41 0.00 -0.60 0.00 0.00 54.58 50.23 2rce n ASN 160 Cb 0.04 -0.72 -0.04 0.00 -0.53 0.00 0.00 39.78 38.53 2rce n ASN 160 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2rce s PRO 161 N -2.04 4.53 -1.21 1.20 0.04 -1.26 -3.28 135.00 132.99 2rce s PRO 161 Ca 0.33 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2rce s PRO 161 Cb 0.06 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2rce s PRO 161 CO -0.08 -0.01 0.00 0.66 0.04 0.00 0.00 177.00 177.61 2rce n TYR 162 N 2.33 -0.94 -3.31 0.56 4.02 0.14 -1.56 117.16 118.41 2rce n TYR 162 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 2rce n TYR 162 Cb 0.45 -2.68 0.02 0.00 -0.02 0.00 0.00 39.34 37.11 2rce n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2rce n ASN 163 N -1.20 -4.98 0.18 7.72 5.15 -1.20 -4.87 115.26 116.06 2rce n ASN 163 Ca -0.14 -0.40 0.13 0.00 -0.60 0.00 0.00 54.58 53.56 2rce n ASN 163 Cb 0.53 -4.04 0.33 0.00 -0.53 0.00 0.00 39.78 36.07 2rce n ASN 163 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2rce h LEU 164 N -1.37 0.00 0.00 1.20 3.38 -1.54 -3.50 115.31 113.48 2rce h LEU 164 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2rce h LEU 164 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2rce h LEU 164 CO 0.57 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2rce n GLY 165 N 0.96 2.19 3.62 0.83 0.00 -1.26 -5.02 105.19 106.51 2rce n GLY 165 Ca 0.04 -2.03 -0.49 0.00 0.00 0.00 0.00 46.02 43.54 2rce n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rce n GLN 166 N 0.58 1.58 -4.63 1.61 7.27 -1.26 -4.42 117.38 118.11 2rce n GLN 166 Ca 0.00 0.57 -0.24 0.00 0.07 0.00 0.00 57.00 57.40 2rce n GLN 166 Cb 0.00 -2.27 -0.16 0.00 2.41 0.00 0.00 30.24 30.22 2rce n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rce s THR 167 N 0.66 1.14 -0.18 1.69 2.01 0.11 -4.97 115.64 116.10 2rce s THR 167 Ca 0.82 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 2rce s THR 167 Cb -0.83 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2rce s THR 167 CO 0.43 0.34 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.06 2rce s ILE 168 N 0.22 3.97 0.15 1.82 -1.09 -1.26 -2.49 121.20 122.53 2rce s ILE 168 Ca -0.06 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.12 2rce s ILE 168 Cb -0.11 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2rce s ILE 168 CO 0.02 0.46 -0.16 0.42 -1.23 0.00 0.00 174.94 174.45 2rce s THR 169 N 0.67 1.64 -0.04 2.92 -4.23 -0.60 -4.96 115.64 111.04 2rce s THR 169 Ca -0.01 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 2rce s THR 169 Cb -0.14 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2rce s THR 169 CO 0.02 -0.39 -0.21 -1.58 -0.54 0.00 0.00 174.62 171.93 2rce s GLN 170 N -2.86 2.04 0.00 3.99 -0.44 -1.26 -0.53 119.66 120.60 2rce s GLN 170 Ca 0.14 -0.74 0.00 0.00 -2.50 0.00 0.00 55.36 52.26 2rce s GLN 170 Cb -0.05 -1.78 0.00 0.00 -1.64 0.00 0.00 33.01 29.54 2rce s GLN 170 CO 0.05 0.33 0.00 0.41 0.50 0.00 0.00 175.29 176.58 2rce n GLY 171 N 2.98 3.85 3.29 2.59 0.00 -0.29 -4.36 105.19 113.24 2rce n GLY 171 Ca -0.17 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2rce n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rce s ILE 172 N -1.04 0.60 -0.24 -0.61 -4.36 -1.26 -0.97 121.20 113.32 2rce s ILE 172 Ca 0.00 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.11 2rce s ILE 172 Cb 0.00 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.27 2rce s ILE 172 CO 0.00 -0.19 1.34 -0.63 0.24 0.00 0.00 174.94 175.70 2rce s ILE 173 N -3.72 4.11 -0.12 8.37 1.01 0.04 -3.20 121.20 127.69 2rce s ILE 173 Ca 0.32 1.29 0.16 0.00 0.00 0.00 0.00 60.65 62.43 2rce s ILE 173 Cb 0.07 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 2rce s ILE 173 CO 0.10 -0.33 0.90 0.28 0.00 0.00 0.00 174.94 175.88 2rce h SER 174 N 9.13 0.00 -4.00 3.58 0.02 -0.64 0.67 113.55 122.31 2rce h SER 174 Ca -0.28 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 60.90 2rce h SER 174 Cb 1.11 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.44 2rce h SER 174 CO 1.01 0.60 0.79 0.00 -1.14 0.00 0.00 176.83 178.09 2rce s ALA 175 N -2.91 -2.05 0.22 3.77 0.00 -1.19 -4.90 121.76 114.69 2rce s ALA 175 Ca -0.02 1.64 0.08 0.00 0.00 0.00 0.00 51.96 53.66 2rce s ALA 175 Cb 0.09 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2rce s ALA 175 CO 0.80 -0.48 -0.14 0.95 0.00 0.00 0.00 175.76 176.89 2rce s THR 176 N -1.97 1.78 -0.68 0.00 -4.23 -1.26 -0.71 115.64 108.56 2rce s THR 176 Ca 0.08 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 2rce s THR 176 Cb -0.01 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2rce s THR 176 CO -0.05 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 2rce n GLY 177 N -0.43 0.84 3.77 3.99 0.00 -0.57 -4.96 105.19 107.83 2rce n GLY 177 Ca -0.07 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2rce n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rce s ARG 178 N -2.64 1.10 0.45 1.61 1.81 -0.71 -4.64 118.95 115.94 2rce s ARG 178 Ca 0.00 0.36 -0.19 0.00 -1.72 0.00 0.00 55.73 54.18 2rce s ARG 178 Cb 0.00 -1.83 -0.15 0.00 -0.45 0.00 0.00 34.95 32.52 2rce s ARG 178 CO 0.00 -2.24 -0.04 -2.37 -0.68 0.00 0.00 175.30 169.97 2rce n THR 184 N -3.81 0.23 0.00 0.02 5.66 -1.26 -0.51 114.28 114.61 2rce n THR 184 Ca 0.06 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2rce n THR 184 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 2rce n THR 184 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rce n GLY 185 N 2.39 4.04 0.16 1.09 0.00 -1.26 -5.02 105.19 106.58 2rce n GLY 185 Ca 0.09 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2rce n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rce n ARG 186 N -1.11 1.17 -2.04 1.61 5.12 -1.26 -5.09 116.66 115.07 2rce n ARG 186 Ca 0.00 -2.48 -0.33 0.00 -1.93 0.00 0.00 57.85 53.11 2rce n ARG 186 Cb 0.00 -1.40 0.02 0.00 -1.16 0.00 0.00 32.46 29.91 2rce n ARG 186 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2rce s GLN 187 N -2.62 3.23 -0.22 5.56 -0.21 -1.26 -5.05 119.66 119.09 2rce s GLN 187 Ca 0.29 1.32 -0.04 0.00 0.02 0.00 0.00 55.36 56.95 2rce s GLN 187 Cb 0.26 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 32.25 2rce s GLN 187 CO 0.02 -0.90 -0.04 1.21 -2.12 0.00 0.00 175.29 173.46 2rce s ASN 188 N -2.54 4.33 0.13 5.90 2.47 -1.25 -4.67 114.94 119.32 2rce s ASN 188 Ca 0.66 -0.37 0.09 0.00 0.42 0.00 0.00 52.86 53.65 2rce s ASN 188 Cb -0.18 -1.74 -0.04 0.00 -1.45 0.00 0.00 41.25 37.84 2rce s ASN 188 CO 0.35 -0.01 -0.20 -0.36 -3.72 0.00 0.00 177.10 173.16 2rce s PHE 189 N 1.40 1.84 0.04 0.43 0.08 0.33 -4.29 117.98 117.80 2rce s PHE 189 Ca 0.05 -0.43 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 2rce s PHE 189 Cb -0.14 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.27 2rce s PHE 189 CO -0.02 0.26 0.66 -0.51 -0.10 0.00 0.00 175.22 175.51 2rce s LEU 190 N -2.17 4.46 -0.06 -0.37 1.43 0.05 -1.52 118.68 120.51 2rce s LEU 190 Ca 0.10 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.46 2rce s LEU 190 Cb -0.09 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2rce s LEU 190 CO 0.05 0.12 0.19 -1.58 0.23 0.00 0.00 176.35 175.36 2rce s GLN 191 N -0.41 3.50 0.04 1.70 0.74 0.12 -0.67 119.66 124.67 2rce s GLN 191 Ca 0.33 -0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.55 2rce s GLN 191 Cb -0.20 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 2rce s GLN 191 CO 0.20 0.72 0.12 -0.08 -0.55 0.00 0.00 175.29 175.70 2rce s THR 192 N -1.16 0.13 -1.59 -0.34 -1.32 0.24 0.16 115.64 111.74 2rce s THR 192 Ca 0.21 -1.03 0.19 0.00 -1.21 0.00 0.00 61.69 59.85 2rce s THR 192 Cb -0.13 -0.89 0.54 0.00 -1.51 0.00 0.00 72.50 70.52 2rce s THR 192 CO 0.11 -0.57 1.45 -0.90 -2.21 0.00 0.00 174.62 172.50 2rce n ASP 193 N 0.76 3.68 -4.67 8.08 5.75 -1.19 -1.02 116.55 127.93 2rce n ASP 193 Ca -0.19 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.14 2rce n ASP 193 Cb 0.59 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 2rce n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rce s ALA 194 N -1.05 3.63 0.01 2.12 0.00 -1.26 -4.64 121.76 120.57 2rce s ALA 194 Ca 0.41 1.15 -0.33 0.00 0.00 0.00 0.00 51.96 53.19 2rce s ALA 194 Cb 0.22 -3.77 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 2rce s ALA 194 CO 0.27 -1.39 1.84 0.43 0.00 0.00 0.00 175.76 176.91 2rce n SER 195 N 6.89 3.62 -4.16 0.00 7.64 -1.26 -4.84 113.62 121.50 2rce n SER 195 Ca 0.18 0.98 -0.29 0.00 1.01 0.00 0.00 58.87 60.75 2rce n SER 195 Cb 0.41 -1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 62.01 2rce n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2rce s ILE 196 N 3.37 1.72 0.27 0.44 -1.09 -1.26 -4.78 121.20 119.86 2rce s ILE 196 Ca 0.88 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 58.48 2rce s ILE 196 Cb -0.61 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 2rce s ILE 196 CO 0.45 0.48 0.08 0.20 -1.23 0.00 0.00 174.94 174.93 2rce s ASN 197 N 0.29 1.44 -0.18 3.58 0.01 -1.26 -4.95 114.94 113.87 2rce s ASN 197 Ca -0.13 -1.37 -0.38 0.00 -0.71 0.00 0.00 52.86 50.28 2rce s ASN 197 Cb -0.16 0.11 -0.14 0.00 0.41 0.00 0.00 41.25 41.47 2rce s ASN 197 CO 0.06 -0.69 1.76 1.57 -1.51 0.00 0.00 177.10 178.29 2rce n HIS 198 N -0.49 2.12 0.00 2.20 -0.00 -1.26 -0.73 115.22 117.06 2rce n HIS 198 Ca -0.01 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2rce n HIS 198 Cb 0.66 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.13 2rce n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rce n GLY 199 N 4.14 2.50 3.57 1.57 0.00 -1.26 -0.68 105.19 115.04 2rce n GLY 199 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2rce n GLY 199 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rce s ASN 200 N -1.55 6.27 0.00 1.61 -0.87 0.09 -3.00 114.94 117.49 2rce s ASN 200 Ca 0.00 -1.98 0.00 0.00 -1.57 0.00 0.00 52.86 49.31 2rce s ASN 200 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2rce s ASN 200 CO 0.00 -1.75 0.00 0.61 -2.57 0.00 0.00 177.10 173.39 2rce n GLY 202 N 5.86 0.00 2.48 0.66 0.00 0.56 -4.58 105.19 110.16 2rce n GLY 202 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 2rce n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rce n GLY 203 N 0.18 -0.50 3.87 -0.02 0.00 -1.26 -3.29 105.19 104.18 2rce n GLY 203 Ca 0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 2rce n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rce s ALA 204 N -3.58 3.87 -0.22 4.61 0.00 -0.89 -1.26 121.76 124.30 2rce s ALA 204 Ca 0.46 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2rce s ALA 204 Cb -0.02 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 2rce s ALA 204 CO 0.31 0.66 -0.07 -1.17 0.00 0.00 0.00 175.76 175.50 2rce s LEU 205 N -1.34 2.80 0.16 0.00 2.96 -0.12 -0.65 118.68 122.48 2rce s LEU 205 Ca 0.19 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2rce s LEU 205 Cb -0.12 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2rce s LEU 205 CO 0.09 -0.03 -0.18 0.68 -1.32 0.00 0.00 176.35 175.60 2rce s VAL 206 N 1.43 1.74 0.66 1.68 -7.23 -0.27 0.51 120.40 118.93 2rce s VAL 206 Ca 0.05 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2rce s VAL 206 Cb -0.14 -1.80 0.15 0.00 0.56 0.00 0.00 36.38 35.15 2rce s VAL 206 CO -0.05 -0.33 0.90 -0.46 -0.31 0.00 0.00 175.10 174.85 2rce n ASN 207 N 0.33 0.40 0.07 4.85 0.23 -0.58 -0.18 115.26 120.39 2rce n ASN 207 Ca -0.14 -1.53 0.08 0.00 -0.53 0.00 0.00 54.58 52.46 2rce n ASN 207 Cb 0.57 -0.66 0.35 0.00 -2.08 0.00 0.00 39.78 37.96 2rce n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2rce n SER 208 N -3.39 0.30 -0.23 0.53 3.41 -1.24 -0.73 113.62 112.28 2rce n SER 208 Ca 0.12 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2rce n SER 208 Cb 0.43 -0.65 0.24 0.00 -0.26 0.00 0.00 64.21 63.97 2rce n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rce n LEU 209 N -1.86 1.12 0.00 1.04 4.77 -1.26 -3.90 117.00 116.91 2rce n LEU 209 Ca 0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2rce n LEU 209 Cb 0.12 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2rce n LEU 209 CO 0.12 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2rce n GLY 210 N 1.40 0.75 3.73 -0.72 0.00 0.09 -4.73 105.19 105.72 2rce n GLY 210 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2rce n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rce s GLU 211 N -0.41 4.60 0.06 1.61 2.02 -1.26 -4.22 118.70 121.10 2rce s GLU 211 Ca 0.00 1.63 -0.31 0.00 0.02 0.00 0.00 54.97 56.31 2rce s GLU 211 Cb 0.00 -3.33 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 2rce s GLU 211 CO 0.00 0.06 1.71 -1.17 0.02 0.00 0.00 175.26 175.88 2rce s LEU 212 N 0.03 4.37 -0.20 1.80 2.96 -0.07 -1.53 118.68 126.05 2rce s LEU 212 Ca 0.50 2.52 0.08 0.00 -0.22 0.00 0.00 54.13 57.01 2rce s LEU 212 Cb -0.27 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.68 2rce s LEU 212 CO 0.32 -0.93 -0.08 0.23 -1.32 0.00 0.00 176.35 174.57 2rce n MET 213 N 5.96 0.81 -3.86 1.98 2.81 0.18 -4.76 117.12 120.23 2rce n MET 213 Ca 0.17 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 56.12 2rce n MET 213 Cb 0.40 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 2rce n MET 213 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2rce s GLY 214 N -5.75 -0.07 -0.26 3.03 0.00 -0.92 -1.37 107.32 101.99 2rce s GLY 214 Ca -0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 2rce s GLY 214 CO 0.62 2.79 0.00 -0.42 0.00 0.00 0.00 173.10 176.09 2rce s ILE 215 N -2.28 3.51 0.17 0.90 -1.09 0.30 -0.94 121.20 121.77 2rce s ILE 215 Ca 0.22 -0.68 -0.32 0.00 -2.23 0.00 0.00 60.65 57.65 2rce s ILE 215 Cb -0.01 -2.73 -0.10 0.00 -1.58 0.00 0.00 42.46 38.04 2rce s ILE 215 CO 0.02 0.24 1.58 0.20 -1.23 0.00 0.00 174.94 175.75 2rce s ASN 216 N 1.46 6.57 0.00 3.58 0.01 -0.39 -0.72 114.94 125.44 2rce s ASN 216 Ca 0.03 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 2rce s ASN 216 Cb -0.16 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2rce s ASN 216 CO -0.01 -0.84 0.00 0.41 -1.51 0.00 0.00 177.10 175.15 2rce n THR 217 N 3.95 0.00 -4.10 1.60 -1.04 -0.44 -0.33 114.28 113.92 2rce n THR 217 Ca 0.14 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.01 2rce n THR 217 Cb 0.38 -0.62 -0.11 0.00 -1.82 0.00 0.00 70.33 68.15 2rce n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rce s LEU 218 N -4.77 2.28 -0.12 -4.42 1.43 -1.03 -4.90 118.68 107.15 2rce s LEU 218 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2rce s LEU 218 Cb 0.00 -0.24 0.02 0.00 0.03 0.00 0.00 46.19 46.00 2rce s LEU 218 CO 0.00 -0.20 -0.14 -0.55 0.23 0.00 0.00 176.35 175.69 2rce s SER 219 N -1.75 2.52 0.11 2.29 0.15 -1.26 -0.70 113.70 115.06 2rce s SER 219 Ca -0.06 -0.44 -0.31 0.00 0.70 0.00 0.00 55.95 55.83 2rce s SER 219 Cb -0.09 -1.11 -0.09 0.00 -1.71 0.00 0.00 66.02 63.02 2rce s SER 219 CO 0.00 -0.02 1.64 0.12 1.20 0.00 0.00 173.24 176.18 2rce s PHE 220 N 1.21 2.63 -0.00 3.44 2.19 -0.47 -4.89 117.98 122.09 2rce s PHE 220 Ca -0.02 0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.65 2rce s PHE 220 Cb -0.14 -3.97 0.01 0.00 -1.31 0.00 0.00 43.02 37.61 2rce s PHE 220 CO -0.05 -3.79 0.64 -3.47 1.83 0.00 0.00 175.22 170.38 2rce n ASP 221 N 5.01 0.42 -4.55 6.13 2.03 -1.26 -4.64 116.55 119.69 2rce n ASP 221 Ca 0.15 -1.30 -0.39 0.00 0.52 0.00 0.00 54.79 53.78 2rce n ASP 221 Cb 0.40 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 2rce n ASP 221 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2rce s LYS 222 N -0.24 2.84 0.70 -0.67 1.02 -1.26 -4.79 119.74 117.33 2rce s LYS 222 Ca 0.01 0.23 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 2rce s LYS 222 Cb 0.00 -4.38 0.02 0.00 -0.52 0.00 0.00 37.83 32.96 2rce s LYS 222 CO 0.00 -2.55 1.16 0.45 -0.92 0.00 0.00 175.35 173.48 2rce s SER 223 N 6.53 4.60 0.00 2.83 0.15 -1.26 -4.86 113.70 121.69 2rce s SER 223 Ca 0.56 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2rce s SER 223 Cb -0.10 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2rce s SER 223 CO 0.17 -1.98 0.00 -3.20 1.20 0.00 0.00 173.24 169.43 2rce n ASN 224 N -2.62 0.00 -2.31 5.45 2.85 -1.26 -4.80 115.26 112.57 2rce n ASN 224 Ca 0.12 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.26 2rce n ASN 224 Cb 0.51 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.59 2rce n ASN 224 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2rce n ASP 225 N -1.32 7.03 -1.33 1.20 2.03 -1.26 -4.85 116.55 118.04 2rce n ASP 225 Ca 0.00 -3.78 -0.01 0.00 0.52 0.00 0.00 54.79 51.52 2rce n ASP 225 Cb 0.00 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2rce n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rce n GLY 226 N -0.84 0.61 3.08 0.27 0.00 -1.26 -5.11 105.19 101.95 2rce n GLY 226 Ca 0.58 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2rce n GLY 226 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rce s GLU 227 N -3.57 0.57 -0.14 1.61 1.03 -1.26 -5.14 118.70 111.81 2rce s GLU 227 Ca 0.01 -1.12 -0.16 0.00 0.03 0.00 0.00 54.97 53.73 2rce s GLU 227 Cb -0.00 0.16 -0.04 0.00 -0.80 0.00 0.00 34.13 33.44 2rce s GLU 227 CO 0.03 -0.09 0.37 0.99 -1.33 0.00 0.00 175.26 175.23 2rce s THR 228 N -3.45 5.25 0.34 1.83 2.01 -1.26 -4.26 115.64 116.09 2rce s THR 228 Ca 0.03 0.73 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 2rce s THR 228 Cb 0.05 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 2rce s THR 228 CO -0.08 0.37 1.16 -2.84 -0.69 0.00 0.00 174.62 172.54 2rce s PRO 229 N 0.45 4.37 -0.08 4.92 0.02 -1.26 -5.04 135.00 138.37 2rce s PRO 229 Ca 0.21 1.88 0.03 0.00 0.02 0.00 0.00 61.00 63.14 2rce s PRO 229 Cb -0.14 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.42 2rce s PRO 229 CO 0.07 -0.06 -0.19 -2.00 -0.33 0.00 0.00 177.00 174.50 2rce s GLU 230 N -1.85 2.43 -1.06 5.54 2.12 -1.26 -4.80 118.70 119.83 2rce s GLU 230 Ca 0.50 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 2rce s GLU 230 Cb -0.33 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2rce s GLU 230 CO 0.42 0.11 0.03 0.41 -0.54 0.00 0.00 175.26 175.68 2rce n GLY 231 N 3.66 -0.14 3.06 -1.50 0.00 -1.26 -5.00 105.19 104.01 2rce n GLY 231 Ca -0.21 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2rce n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rce s ILE 232 N -2.64 2.31 0.10 -0.61 1.01 -1.26 -3.67 121.20 116.44 2rce s ILE 232 Ca 0.01 -1.95 0.03 0.00 0.00 0.00 0.00 60.65 58.74 2rce s ILE 232 Cb -0.01 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2rce s ILE 232 CO 0.02 -0.31 -0.08 -0.83 0.00 0.00 0.00 174.94 173.74 2rce s GLY 233 N 1.05 0.82 -0.00 6.18 0.00 -0.19 -1.37 107.32 113.81 2rce s GLY 233 Ca 0.01 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.45 2rce s GLY 233 CO -0.06 -1.41 -0.10 -1.36 0.00 0.00 0.00 173.10 170.17 2rce s PHE 234 N -3.21 0.88 0.02 1.90 0.08 0.12 -0.59 117.98 117.19 2rce s PHE 234 Ca 0.10 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.00 2rce s PHE 234 Cb 0.02 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.89 2rce s PHE 234 CO -0.03 -0.01 -0.11 0.00 -0.10 0.00 0.00 175.22 174.97 2rce s ALA 235 N -0.33 0.89 -0.14 5.36 0.00 0.15 -1.33 121.76 126.37 2rce s ALA 235 Ca 0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 2rce s ALA 235 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2rce s ALA 235 CO -0.00 0.16 1.28 0.42 0.00 0.00 0.00 175.76 177.61 2rce s ILE 236 N -0.73 4.22 0.38 0.00 -1.09 0.10 -0.77 121.20 123.30 2rce s ILE 236 Ca -0.00 1.49 -0.25 0.00 -2.23 0.00 0.00 60.65 59.65 2rce s ILE 236 Cb -0.07 -3.96 -0.12 0.00 -1.58 0.00 0.00 42.46 36.73 2rce s ILE 236 CO 0.01 -0.11 1.00 -0.81 -1.23 0.00 0.00 174.94 173.80 2rce n PRO 237 N 6.42 1.37 0.06 2.79 -0.04 -1.26 -0.54 135.00 143.79 2rce n PRO 237 Ca 0.14 0.49 0.03 0.00 -0.04 0.00 0.00 63.50 64.12 2rce n PRO 237 Cb 0.45 -1.98 0.42 0.00 -0.04 0.00 0.00 33.50 32.35 2rce n PRO 237 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2rce h PHE 238 N 1.70 0.40 -0.01 0.54 -5.15 -1.52 -1.33 116.94 111.58 2rce h PHE 238 Ca -0.43 -0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2rce h PHE 238 Cb 1.34 -0.13 -0.00 0.00 0.22 0.00 0.00 35.95 37.38 2rce h PHE 238 CO 0.45 0.33 0.00 1.96 -2.00 0.00 0.00 178.31 179.05 2rce h GLN 239 N 0.41 0.01 -0.37 6.09 7.50 -1.90 -0.86 115.11 125.99 2rce h GLN 239 Ca 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2rce h GLN 239 Cb 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 2rce h GLN 239 CO -0.01 0.25 0.23 1.25 -1.50 0.00 0.00 178.83 179.05 2rce h LEU 240 N -0.22 0.44 -0.44 1.46 5.85 -1.83 -2.23 115.31 118.34 2rce h LEU 240 Ca 0.00 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2rce h LEU 240 Cb 0.24 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2rce h LEU 240 CO 0.00 0.35 0.23 0.00 -0.34 0.00 0.00 178.44 178.68 2rce h ALA 241 N 1.11 0.55 -0.50 1.25 0.00 -1.18 -0.39 119.26 120.10 2rce h ALA 241 Ca 0.13 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2rce h ALA 241 Cb -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2rce h ALA 241 CO -0.03 -0.11 0.23 1.15 0.00 0.00 0.00 179.25 180.49 2rce h THR 242 N 0.47 0.91 0.11 0.00 2.02 -1.05 0.98 112.91 116.35 2rce h THR 242 Ca 0.18 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2rce h THR 242 Cb 0.06 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2rce h THR 242 CO -0.11 0.08 -0.05 0.11 0.37 0.00 0.00 175.52 175.92 2rce h LYS 243 N 0.44 -0.14 -0.47 6.66 1.57 -0.94 -1.17 116.57 122.51 2rce h LYS 243 Ca 0.23 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2rce h LYS 243 Cb 0.18 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2rce h LYS 243 CO -0.19 -0.09 0.28 0.82 -0.57 0.00 0.00 179.45 179.70 2rce h ILE 244 N -0.15 1.04 -0.18 1.86 1.08 -0.88 -2.01 117.51 118.27 2rce h ILE 244 Ca -0.01 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2rce h ILE 244 Cb 0.12 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 2rce h ILE 244 CO 0.02 0.10 -0.09 -0.03 -0.69 0.00 0.00 178.15 177.46 2rce h MET 245 N 0.55 -0.08 -0.46 2.37 4.05 -0.66 -1.25 114.93 119.46 2rce h MET 245 Ca 0.19 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 2rce h MET 245 Cb 0.03 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.78 2rce h MET 245 CO -0.09 -0.05 0.08 -0.44 0.23 0.00 0.00 176.91 176.63 2rce h ASP 246 N -0.08 -0.03 -0.24 1.39 3.32 -0.98 0.24 116.42 120.05 2rce h ASP 246 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2rce h ASP 246 Cb 0.23 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2rce h ASP 246 CO -0.23 0.02 0.15 0.11 -1.72 0.00 0.00 179.24 177.57 2rce h LYS 247 N 0.21 0.32 -0.74 3.56 1.57 -1.17 -1.50 116.57 118.81 2rce h LYS 247 Ca 0.23 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2rce h LYS 247 Cb 0.30 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2rce h LYS 247 CO -0.31 0.22 0.38 -0.07 -0.57 0.00 0.00 179.45 179.10 2rce h LEU 248 N 0.31 0.94 -0.14 2.94 3.38 -0.86 -1.49 115.31 120.39 2rce h LEU 248 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2rce h LEU 248 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2rce h LEU 248 CO -0.02 0.78 0.05 0.40 0.09 0.00 0.00 178.44 179.74 2rce h ILE 249 N 1.04 1.18 0.00 1.22 2.04 -0.77 -2.18 117.51 120.04 2rce h ILE 249 Ca 0.26 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2rce h ILE 249 Cb 0.07 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2rce h ILE 249 CO -0.04 0.16 0.00 0.54 0.00 0.00 0.00 178.15 178.82 2rce n ARG 250 N -4.86 0.11 -0.11 2.37 1.74 -0.58 -4.82 116.66 110.51 2rce n ARG 250 Ca -0.05 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2rce n ARG 250 Cb 0.14 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 2rce n ARG 250 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2rce n ASP 251 N -2.04 0.00 0.00 0.55 8.00 -0.61 -5.08 116.55 117.36 2rce n ASP 251 Ca -0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2rce n ASP 251 Cb 0.07 -0.78 0.55 0.00 -0.02 0.00 0.00 41.12 40.94 2rce n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42