#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ny1 s VAL 3002N 0.00 2.24 -0.16 2.62 0.11 -1.26 -3.28 120.40 120.66 2ny1 s VAL 3002Ca 0.00 -1.13 -0.05 0.00 -2.93 0.00 0.00 61.98 57.87 2ny1 s VAL 3002Cb 0.00 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 2ny1 s VAL 3002CO 0.00 0.52 -0.00 -1.10 -3.33 0.00 0.00 175.10 171.19 2ny1 s GLN 3003N -0.81 3.72 -0.25 1.54 1.11 0.64 -4.89 119.66 120.72 2ny1 s GLN 3003Ca 0.11 -0.46 -0.05 0.00 0.01 0.00 0.00 55.36 54.97 2ny1 s GLN 3003Cb -0.10 -3.00 -0.00 0.00 -1.01 0.00 0.00 33.01 28.90 2ny1 s GLN 3003CO 0.00 0.29 0.00 -0.51 0.01 0.00 0.00 175.29 175.09 2ny1 s LEU 3004N 0.26 3.25 -0.18 2.90 1.43 -1.26 -1.62 118.68 123.46 2ny1 s LEU 3004Ca -0.01 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2ny1 s LEU 3004Cb -0.13 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2ny1 s LEU 3004CO 0.02 -0.08 -0.17 -0.69 0.23 0.00 0.00 176.35 175.66 2ny1 s VAL 3005N 1.48 2.30 0.38 -1.59 1.01 -0.60 -4.00 120.40 119.40 2ny1 s VAL 3005Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2ny1 s VAL 3005Cb -0.15 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2ny1 s VAL 3005CO -0.01 0.52 0.55 -1.61 0.00 0.00 0.00 175.10 174.55 2ny1 s GLU 3006N 1.27 3.09 0.81 2.72 2.02 -1.26 -1.04 118.70 126.31 2ny1 s GLU 3006Ca 0.04 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.12 2ny1 s GLU 3006Cb -0.13 -2.71 0.08 0.00 0.10 0.00 0.00 34.13 31.46 2ny1 s GLU 3006CO -0.10 -0.08 1.13 -1.54 0.02 0.00 0.00 175.26 174.69 2ny1 s SER 3007N -4.19 4.48 0.95 -0.19 1.04 -0.87 -4.97 113.70 109.94 2ny1 s SER 3007Ca 0.46 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 2ny1 s SER 3007Cb -0.10 -1.69 0.16 0.00 0.10 0.00 0.00 66.02 64.49 2ny1 s SER 3007CO 0.34 -1.95 1.11 -0.83 0.98 0.00 0.00 173.24 172.89 2ny1 s GLY 3008N -4.21 1.58 0.58 7.32 0.00 -1.26 -4.69 107.32 106.63 2ny1 s GLY 3008Ca 0.61 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.73 2ny1 s GLY 3008CO 0.52 0.17 1.34 0.00 0.00 0.00 0.00 173.10 175.14 2ny1 n ALA 3009N -3.95 1.48 -2.38 3.20 0.00 -1.26 -4.82 120.51 112.77 2ny1 n ALA 3009Ca 0.06 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 2ny1 n ALA 3009Cb 0.58 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 2ny1 n ALA 3009CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ny1 s GLU 3010N -3.04 1.56 -0.11 0.00 0.41 0.11 -5.00 118.70 112.64 2ny1 s GLU 3010Ca 0.75 -1.23 -0.00 0.00 -0.41 0.00 0.00 54.97 54.08 2ny1 s GLU 3010Cb -0.40 -1.90 0.02 0.00 -1.78 0.00 0.00 34.13 30.07 2ny1 s GLU 3010CO 0.46 0.47 -0.08 0.08 -0.49 0.00 0.00 175.26 175.70 2ny1 s VAL 3011N -0.95 1.02 0.07 2.63 1.01 -1.26 -1.11 120.40 121.81 2ny1 s VAL 3011Ca 0.13 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2ny1 s VAL 3011Cb -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2ny1 s VAL 3011CO 0.04 0.36 -0.11 -0.54 0.00 0.00 0.00 175.10 174.85 2ny1 s LYS 3012N 1.58 0.73 0.35 2.72 -0.14 0.11 -4.99 119.74 120.09 2ny1 s LYS 3012Ca 0.02 -0.93 -0.20 0.00 -1.36 0.00 0.00 55.97 53.51 2ny1 s LYS 3012Cb -0.13 -0.61 -0.10 0.00 -1.68 0.00 0.00 37.83 35.32 2ny1 s LYS 3012CO -0.07 0.12 0.85 0.15 -0.76 0.00 0.00 175.35 175.65 2ny1 s LYS 3013N -1.86 4.21 0.28 1.68 -0.14 -1.26 -1.08 119.74 121.57 2ny1 s LYS 3013Ca -0.03 0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 55.25 2ny1 s LYS 3013Cb -0.09 -2.45 -0.13 0.00 -1.68 0.00 0.00 37.83 33.48 2ny1 s LYS 3013CO 0.01 0.13 1.36 -2.30 -0.76 0.00 0.00 175.35 173.80 2ny1 n PRO 3014N -0.19 2.09 0.00 -1.68 -0.02 -1.26 -1.81 135.00 132.14 2ny1 n PRO 3014Ca 0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2ny1 n PRO 3014Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ny1 n PRO 3014CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ny1 n GLY 3015N 1.62 3.30 3.73 -1.23 0.00 0.11 -4.93 105.19 107.79 2ny1 n GLY 3015Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2ny1 n GLY 3015CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ny1 s SER 3016N -0.82 2.64 0.32 1.61 0.01 -0.75 -4.24 113.70 112.45 2ny1 s SER 3016Ca 0.00 0.88 0.09 0.00 1.31 0.00 0.00 55.95 58.22 2ny1 s SER 3016Cb 0.00 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.84 2ny1 s SER 3016CO 0.00 -3.09 0.09 -0.94 0.41 0.00 0.00 173.24 169.71 2ny1 s SER 3017N -3.93 4.63 0.01 2.44 1.04 -1.26 -0.92 113.70 115.71 2ny1 s SER 3017Ca 0.67 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2ny1 s SER 3017Cb -0.14 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 2ny1 s SER 3017CO 0.55 -0.20 -0.04 0.54 0.98 0.00 0.00 173.24 175.07 2ny1 s VAL 3018N -2.40 0.29 -0.17 5.02 0.11 -0.53 -5.01 120.40 117.72 2ny1 s VAL 3018Ca 0.36 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2ny1 s VAL 3018Cb -0.03 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2ny1 s VAL 3018CO 0.22 -0.12 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.04 2ny1 s LYS 3019N -0.64 1.61 0.13 1.54 2.20 -1.26 -1.20 119.74 122.12 2ny1 s LYS 3019Ca -0.04 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 2ny1 s LYS 3019Cb -0.05 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 2ny1 s LYS 3019CO -0.00 -0.41 0.04 0.14 -0.36 0.00 0.00 175.35 174.75 2ny1 s VAL 3020N 1.58 4.06 0.26 4.02 -7.23 -0.18 -4.96 120.40 117.96 2ny1 s VAL 3020Ca 0.01 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 2ny1 s VAL 3020Cb -0.15 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 2ny1 s VAL 3020CO -0.08 -0.00 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.74 2ny1 s SER 3021N -2.69 2.36 -0.21 4.85 1.04 -1.26 -1.10 113.70 116.69 2ny1 s SER 3021Ca 0.28 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 2ny1 s SER 3021Cb -0.11 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.03 2ny1 s SER 3021CO 0.20 -0.43 0.33 0.00 0.98 0.00 0.00 173.24 174.31 2ny1 s LYS 3023N 2.48 4.00 -0.24 0.00 2.47 -0.21 -0.45 119.74 127.79 2ny1 s LYS 3023Ca 0.07 0.35 -0.11 0.00 -1.56 0.00 0.00 55.97 54.73 2ny1 s LYS 3023Cb -0.14 -3.69 -0.05 0.00 -1.46 0.00 0.00 37.83 32.49 2ny1 s LYS 3023CO -0.13 -0.46 0.17 0.00 0.16 0.00 0.00 175.35 175.09 2ny1 s ALA 3024N 2.47 3.60 0.14 3.13 0.00 -0.38 -1.55 121.76 129.16 2ny1 s ALA 3024Ca 0.24 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2ny1 s ALA 3024Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2ny1 s ALA 3024CO 0.10 -0.24 -0.09 -1.54 0.00 0.00 0.00 175.76 173.98 2ny1 s SER 3025N 1.15 1.67 0.00 0.00 1.04 -0.64 -4.81 113.70 112.12 2ny1 s SER 3025Ca 0.08 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2ny1 s SER 3025Cb -0.14 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2ny1 s SER 3025CO 0.05 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2ny1 n GLY 3026N -0.17 2.74 0.00 7.32 0.00 -1.26 -0.26 105.19 113.57 2ny1 n GLY 3026Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ny1 n GLY 3026CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ny1 n ASP 3027N 0.00 0.00 -4.54 1.61 4.64 -1.21 -4.53 116.55 112.53 2ny1 n ASP 3027Ca 0.00 -0.58 -0.42 0.00 -1.38 0.00 0.00 54.79 52.41 2ny1 n ASP 3027Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.01 2ny1 n ASP 3027CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2ny1 s THR 3028N -1.67 4.84 0.21 5.18 2.01 -1.26 -4.97 115.64 119.99 2ny1 s THR 3028Ca 0.00 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 2ny1 s THR 3028Cb 0.00 -4.16 0.19 0.00 0.01 0.00 0.00 72.50 68.54 2ny1 s THR 3028CO 0.00 -0.49 1.67 0.15 -0.69 0.00 0.00 174.62 175.25 2ny1 h PHE 3029N 8.72 -0.03 0.00 4.92 3.57 -1.96 -1.62 116.94 130.54 2ny1 h PHE 3029Ca -0.26 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2ny1 h PHE 3029Cb 1.10 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2ny1 h PHE 3029CO 0.74 -0.16 0.00 0.44 -2.23 0.00 0.00 178.31 177.10 2ny1 n ILE 3030N -5.27 0.30 1.01 1.41 -6.64 -1.26 -2.45 119.36 106.47 2ny1 n ILE 3030Ca 0.09 0.08 0.11 0.00 -1.77 0.00 0.00 62.75 61.25 2ny1 n ILE 3030Cb 0.35 -0.75 0.33 0.00 -1.44 0.00 0.00 39.64 38.13 2ny1 n ILE 3030CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2ny1 n ARG 3031N -1.22 1.94 -4.60 6.28 1.74 -0.61 -4.04 116.66 116.15 2ny1 n ARG 3031Ca 0.11 -1.41 -0.30 0.00 -0.77 0.00 0.00 57.85 55.48 2ny1 n ARG 3031Cb 0.14 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 2ny1 n ARG 3031CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2ny1 s TYR 3032N -1.74 2.38 0.11 -1.55 1.51 -1.02 -0.32 117.35 116.71 2ny1 s TYR 3032Ca 0.34 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2ny1 s TYR 3032Cb 0.19 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2ny1 s TYR 3032CO 0.28 0.26 0.08 -1.54 -1.11 0.00 0.00 175.55 173.52 2ny1 s SER 3033N -1.70 5.41 0.01 2.29 1.04 -0.85 -3.97 113.70 115.94 2ny1 s SER 3033Ca 0.14 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.55 2ny1 s SER 3033Cb -0.10 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 2ny1 s SER 3033CO 0.05 0.14 -0.18 -0.36 0.98 0.00 0.00 173.24 173.87 2ny1 s PHE 3034N -1.48 1.60 0.02 5.02 0.40 -0.99 -1.93 117.98 120.62 2ny1 s PHE 3034Ca 0.29 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2ny1 s PHE 3034Cb -0.11 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2ny1 s PHE 3034CO 0.22 0.02 -0.13 0.99 0.70 0.00 0.00 175.22 177.02 2ny1 s THR 3035N -0.61 1.04 -0.12 0.64 2.01 0.10 -0.21 115.64 118.49 2ny1 s THR 3035Ca 0.06 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2ny1 s THR 3035Cb -0.08 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2ny1 s THR 3035CO 0.00 0.13 -0.01 0.26 -0.69 0.00 0.00 174.62 174.31 2ny1 s TRP 3036N -0.59 3.10 -0.03 4.92 0.52 -0.55 -0.39 118.94 125.92 2ny1 s TRP 3036Ca 0.03 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.14 2ny1 s TRP 3036Cb -0.06 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 2ny1 s TRP 3036CO 0.00 0.22 -0.08 0.08 0.02 0.00 0.00 176.95 177.20 2ny1 s VAL 3037N -0.23 0.73 0.22 4.03 1.01 -0.18 -0.76 120.40 125.22 2ny1 s VAL 3037Ca 0.05 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.83 2ny1 s VAL 3037Cb -0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2ny1 s VAL 3037CO 0.02 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.26 2ny1 s ARG 3038N 0.43 1.98 -0.15 2.72 1.70 -0.25 0.48 118.95 125.87 2ny1 s ARG 3038Ca -0.07 -1.43 -0.04 0.00 -0.47 0.00 0.00 55.73 53.72 2ny1 s ARG 3038Cb -0.11 -2.05 0.06 0.00 -0.57 0.00 0.00 34.95 32.28 2ny1 s ARG 3038CO 0.01 0.39 0.13 -1.14 -1.08 0.00 0.00 175.30 173.62 2ny1 s GLN 3039N -3.14 0.07 0.49 3.89 0.74 0.54 -1.14 119.66 121.12 2ny1 s GLN 3039Ca 0.27 0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.65 2ny1 s GLN 3039Cb -0.07 -1.24 -0.08 0.00 1.10 0.00 0.00 33.01 32.71 2ny1 s GLN 3039CO 0.16 -0.56 1.01 0.00 -0.55 0.00 0.00 175.29 175.35 2ny1 s ALA 3040N 2.22 2.91 -0.05 1.58 0.00 -1.26 -0.63 121.76 126.53 2ny1 s ALA 3040Ca 0.04 0.47 -0.36 0.00 0.00 0.00 0.00 51.96 52.11 2ny1 s ALA 3040Cb -0.15 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 2ny1 s ALA 3040CO -0.09 -0.28 1.72 -0.35 0.00 0.00 0.00 175.76 176.77 2ny1 n PRO 3041N -1.14 1.86 0.00 0.00 -0.04 -1.26 -0.72 135.00 133.70 2ny1 n PRO 3041Ca 0.08 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2ny1 n PRO 3041Cb 0.53 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2ny1 n PRO 3041CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ny1 n GLY 3042N 3.93 2.24 3.16 0.55 0.00 -1.26 -5.02 105.19 108.78 2ny1 n GLY 3042Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2ny1 n GLY 3042CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ny1 n GLN 3043N -2.00 0.74 -1.41 1.61 1.13 0.10 -5.14 117.38 112.41 2ny1 n GLN 3043Ca 0.00 -2.66 -0.08 0.00 -1.94 0.00 0.00 57.00 52.32 2ny1 n GLN 3043Cb 0.00 0.01 0.04 0.00 0.11 0.00 0.00 30.24 30.40 2ny1 n GLN 3043CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ny1 n GLY 3044N -0.62 0.90 3.74 1.08 0.00 -1.26 -4.67 105.19 104.36 2ny1 n GLY 3044Ca 0.07 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 2ny1 n GLY 3044CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ny1 s LEU 3045N 0.00 4.59 -0.12 0.99 1.43 -1.26 -4.30 118.68 120.01 2ny1 s LEU 3045Ca 0.25 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2ny1 s LEU 3045Cb -0.01 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2ny1 s LEU 3045CO 0.16 0.07 -0.09 -0.70 0.23 0.00 0.00 176.35 176.02 2ny1 s GLU 3046N -0.76 1.68 0.03 1.70 2.12 -0.29 -4.98 118.70 118.20 2ny1 s GLU 3046Ca 0.43 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 2ny1 s GLU 3046Cb -0.25 -1.68 -0.06 0.00 0.26 0.00 0.00 34.13 32.40 2ny1 s GLU 3046CO 0.32 -0.25 1.34 -0.46 -0.54 0.00 0.00 175.26 175.66 2ny1 s TRP 3047N 1.62 3.10 -0.22 5.30 -0.00 -1.26 -1.09 118.94 126.39 2ny1 s TRP 3047Ca 0.04 0.99 0.07 0.00 -0.00 0.00 0.00 56.10 57.20 2ny1 s TRP 3047Cb -0.13 -3.59 -0.18 0.00 -0.00 0.00 0.00 33.47 29.57 2ny1 s TRP 3047CO -0.08 -2.07 -0.12 -1.33 -0.00 0.00 0.00 176.95 173.34 2ny1 n MET 3048N 4.74 0.71 0.00 5.86 2.81 0.06 -4.62 117.12 126.68 2ny1 n MET 3048Ca 0.12 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2ny1 n MET 3048Cb 0.44 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2ny1 n MET 3048CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ny1 n GLY 3049N 2.18 0.39 3.19 3.03 0.00 -1.21 -0.81 105.19 111.96 2ny1 n GLY 3049Ca -0.39 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 2ny1 n GLY 3049CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ny1 s ARG 3050N -2.00 0.33 -0.20 1.61 3.52 0.13 -1.48 118.95 120.87 2ny1 s ARG 3050Ca 0.00 0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 56.15 2ny1 s ARG 3050Cb 0.00 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 2ny1 s ARG 3050CO 0.00 -0.13 0.02 -1.50 -0.81 0.00 0.00 175.30 172.89 2ny1 s ILE 3051N 0.99 4.18 -0.85 4.11 2.07 0.70 -1.28 121.20 131.13 2ny1 s ILE 3051Ca -0.07 -0.23 -0.24 0.00 -1.41 0.00 0.00 60.65 58.70 2ny1 s ILE 3051Cb -0.07 -2.90 0.05 0.00 0.13 0.00 0.00 42.46 39.67 2ny1 s ILE 3051CO -0.08 0.42 1.29 -0.63 -1.91 0.00 0.00 174.94 174.04 2ny1 s ILE 3052N 0.94 3.95 0.23 2.00 1.01 0.38 -2.34 121.20 127.38 2ny1 s ILE 3052Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2ny1 s ILE 3052Cb -0.14 -4.93 0.19 0.00 0.01 0.00 0.00 42.46 37.59 2ny1 s ILE 3052CO 0.02 -1.81 1.83 0.74 0.00 0.00 0.00 174.94 175.72 2ny1 h THR 3053N 6.28 0.98 -0.10 2.92 2.02 -1.85 0.08 112.91 123.25 2ny1 h THR 3053Ca -0.07 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2ny1 h THR 3053Cb 1.04 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2ny1 h THR 3053CO 1.31 0.15 -0.12 -0.29 0.37 0.00 0.00 175.52 176.94 2ny1 h ILE 3054N 0.83 1.14 0.00 3.11 6.09 -1.83 -2.89 117.51 123.97 2ny1 h ILE 3054Ca 0.36 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 2ny1 h ILE 3054Cb 0.23 1.21 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2ny1 h ILE 3054CO -0.20 0.20 -1.32 0.18 -3.07 0.00 0.00 178.15 173.94 2ny1 n LEU 3055N -4.32 0.50 -3.09 2.19 4.32 -0.61 -4.98 117.00 111.01 2ny1 n LEU 3055Ca -0.01 0.04 -0.20 0.00 -0.02 0.00 0.00 56.01 55.81 2ny1 n LEU 3055Cb 0.24 -0.05 0.06 0.00 -1.62 0.00 0.00 43.42 42.05 2ny1 n LEU 3055CO 0.37 -0.01 0.19 -0.67 -1.22 0.00 0.00 177.39 176.05 2ny1 n ASP 3056N -2.19 -5.73 -4.09 -1.43 4.64 -0.08 -5.00 116.55 102.67 2ny1 n ASP 3056Ca -0.00 -0.44 -0.30 0.00 -1.38 0.00 0.00 54.79 52.67 2ny1 n ASP 3056Cb 0.50 -4.36 -0.17 0.00 -1.04 0.00 0.00 41.12 36.05 2ny1 n ASP 3056CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2ny1 s VAL 3057N -3.25 1.66 0.09 5.18 1.01 -1.15 -4.99 120.40 118.94 2ny1 s VAL 3057Ca 0.48 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.81 2ny1 s VAL 3057Cb -0.21 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2ny1 s VAL 3057CO 0.59 0.47 -0.22 0.00 0.00 0.00 0.00 175.10 175.95 2ny1 s ALA 3058N 0.98 2.51 0.02 5.51 0.00 -1.26 -0.47 121.76 129.04 2ny1 s ALA 3058Ca -0.06 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.63 2ny1 s ALA 3058Cb -0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2ny1 s ALA 3058CO -0.02 0.56 -0.19 -1.01 0.00 0.00 0.00 175.76 175.10 2ny1 s HIS 3059N -1.02 1.68 0.17 0.00 3.76 -0.40 -4.98 115.29 114.50 2ny1 s HIS 3059Ca 0.15 -0.34 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 2ny1 s HIS 3059Cb -0.10 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 2ny1 s HIS 3059CO 0.07 0.03 -0.19 0.71 -0.85 0.00 0.00 174.74 174.51 2ny1 s TYR 3060N -0.63 1.88 0.28 1.40 1.51 -1.26 -0.69 117.35 119.84 2ny1 s TYR 3060Ca 0.07 -0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 2ny1 s TYR 3060Cb -0.08 -0.93 -0.10 0.00 -0.11 0.00 0.00 41.96 40.74 2ny1 s TYR 3060CO 0.01 0.36 1.39 0.00 -1.11 0.00 0.00 175.55 176.20 2ny1 s ALA 3061N -2.04 3.57 0.24 3.71 0.00 0.01 -4.84 121.76 122.41 2ny1 s ALA 3061Ca 0.17 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.39 2ny1 s ALA 3061Cb -0.06 -3.53 0.45 0.00 0.00 0.00 0.00 23.12 19.98 2ny1 s ALA 3061CO 0.07 -0.72 1.72 -1.35 0.00 0.00 0.00 175.76 175.48 2ny1 h PRO 3062N 4.36 0.39 0.00 0.00 0.11 -1.94 -0.36 132.00 134.56 2ny1 h PRO 3062Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ny1 h PRO 3062Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ny1 h PRO 3062CO 0.73 0.26 0.00 -2.39 -0.21 0.00 0.00 178.00 176.39 2ny1 n HIS 3063N -5.03 0.00 -0.02 0.65 1.44 -1.26 -2.19 115.22 108.80 2ny1 n HIS 3063Ca 0.14 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.86 2ny1 n HIS 3063Cb 0.41 -0.49 -0.08 0.00 0.12 0.00 0.00 29.99 29.95 2ny1 n HIS 3063CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ny1 n LEU 3064N -1.49 0.00 -4.46 2.39 4.32 -0.25 -5.04 117.00 112.47 2ny1 n LEU 3064Ca 0.02 0.00 -0.58 0.00 -0.02 0.00 0.00 56.01 55.43 2ny1 n LEU 3064Cb 0.10 0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 41.92 2ny1 n LEU 3064CO 0.08 0.10 0.55 0.00 -1.22 0.00 0.00 177.39 176.90 2ny1 n GLN 3065N -2.07 0.00 0.00 3.23 1.13 -0.58 -1.96 117.38 117.12 2ny1 n GLN 3065Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2ny1 n GLN 3065Cb 0.50 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.37 2ny1 n GLN 3065CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ny1 n GLY 3066N 1.50 3.09 0.23 1.08 0.00 -1.26 -4.83 105.19 105.01 2ny1 n GLY 3066Ca 0.20 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.26 2ny1 n GLY 3066CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ny1 n ARG 3067N 0.00 2.11 -5.23 1.61 1.85 -0.83 -4.97 116.66 111.20 2ny1 n ARG 3067Ca 0.00 -1.48 -0.31 0.00 -1.00 0.00 0.00 57.85 55.06 2ny1 n ARG 3067Cb 0.00 -1.10 -0.16 0.00 -1.05 0.00 0.00 32.46 30.15 2ny1 n ARG 3067CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ny1 s VAL 3068N -0.84 2.22 -0.05 8.89 0.11 -1.23 -0.40 120.40 129.10 2ny1 s VAL 3068Ca 0.08 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2ny1 s VAL 3068Cb 0.05 -1.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2ny1 s VAL 3068CO 0.06 0.58 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.51 2ny1 s THR 3069N -0.57 0.35 -0.19 5.04 2.01 -0.22 -4.96 115.64 117.09 2ny1 s THR 3069Ca 0.08 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 2ny1 s THR 3069Cb -0.11 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 2ny1 s THR 3069CO -0.00 0.20 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.48 2ny1 s ILE 3070N 1.27 3.75 0.33 1.82 1.01 -1.26 -0.72 121.20 127.40 2ny1 s ILE 3070Ca -0.06 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.26 2ny1 s ILE 3070Cb -0.13 -2.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 2ny1 s ILE 3070CO -0.02 0.45 0.02 0.42 0.00 0.00 0.00 174.94 175.81 2ny1 s THR 3071N 0.93 1.48 -0.02 2.92 -4.23 -0.72 -4.80 115.64 111.20 2ny1 s THR 3071Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2ny1 s THR 3071Cb -0.14 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2ny1 s THR 3071CO 0.01 -0.07 0.01 0.00 -0.54 0.00 0.00 174.62 174.03 2ny1 s ALA 3072N -3.10 0.20 -0.46 3.99 0.00 -1.26 -0.38 121.76 120.75 2ny1 s ALA 3072Ca 0.35 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2ny1 s ALA 3072Cb 0.08 -0.23 0.09 0.00 0.00 0.00 0.00 23.12 23.06 2ny1 s ALA 3072CO 0.15 -0.06 0.35 0.34 0.00 0.00 0.00 175.76 176.54 2ny1 s ASP 3073N 0.80 5.87 0.43 0.00 3.68 0.18 -4.96 116.67 122.67 2ny1 s ASP 3073Ca -0.07 -1.58 0.12 0.00 2.13 0.00 0.00 52.55 53.14 2ny1 s ASP 3073Cb -0.11 -2.08 0.93 0.00 -1.45 0.00 0.00 42.92 40.22 2ny1 s ASP 3073CO -0.02 -0.65 1.99 0.11 0.13 0.00 0.00 175.17 176.74 2ny1 h LYS 3074N 8.58 0.17 0.00 4.34 1.57 -1.96 -0.61 116.57 128.65 2ny1 h LYS 3074Ca -0.25 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2ny1 h LYS 3074Cb 1.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2ny1 h LYS 3074CO 0.85 0.26 -0.46 0.66 -0.57 0.00 0.00 179.45 180.19 2ny1 h SER 3075N 0.17 0.00 -0.13 0.86 4.64 -1.96 -3.13 113.55 114.01 2ny1 h SER 3075Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ny1 h SER 3075Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2ny1 h SER 3075CO 0.01 0.46 0.00 0.35 -0.87 0.00 0.00 176.83 176.78 2ny1 n THR 3076N -3.84 1.34 -4.16 2.95 -2.24 -1.08 -4.99 114.28 102.25 2ny1 n THR 3076Ca -0.01 -1.35 -0.33 0.00 -2.27 0.00 0.00 64.05 60.08 2ny1 n THR 3076Cb 0.50 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 2ny1 n THR 3076CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ny1 n SER 3077N -0.41 -2.14 -4.22 3.42 7.64 -0.30 -4.81 113.62 112.80 2ny1 n SER 3077Ca 0.09 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.64 2ny1 n SER 3077Cb 0.45 -2.75 -0.16 0.00 -1.01 0.00 0.00 64.21 60.75 2ny1 n SER 3077CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ny1 s THR 3078N -3.56 1.83 -0.09 0.44 2.01 -0.81 -1.25 115.64 114.20 2ny1 s THR 3078Ca 0.48 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 2ny1 s THR 3078Cb -0.26 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 2ny1 s THR 3078CO 0.92 0.51 0.03 -0.69 -0.69 0.00 0.00 174.62 174.71 2ny1 s VAL 3079N -0.11 4.57 0.05 3.82 1.01 0.40 0.50 120.40 130.64 2ny1 s VAL 3079Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2ny1 s VAL 3079Cb -0.13 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2ny1 s VAL 3079CO 0.03 0.61 -0.21 -0.31 0.00 0.00 0.00 175.10 175.22 2ny1 s TYR 3080N -0.90 1.84 -0.13 5.22 2.02 0.49 -0.71 117.35 125.18 2ny1 s TYR 3080Ca 0.13 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2ny1 s TYR 3080Cb -0.11 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2ny1 s TYR 3080CO 0.03 0.11 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.76 2ny1 s LEU 3081N -1.28 1.93 -0.13 -1.29 0.20 -0.26 -1.76 118.68 116.09 2ny1 s LEU 3081Ca 0.08 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 54.38 2ny1 s LEU 3081Cb -0.09 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.38 2ny1 s LEU 3081CO 0.02 0.05 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.26 2ny1 s GLU 3082N 0.92 3.24 -0.15 1.98 2.12 0.11 -1.01 118.70 125.90 2ny1 s GLU 3082Ca -0.06 -0.76 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2ny1 s GLU 3082Cb -0.15 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.71 2ny1 s GLU 3082CO -0.02 0.13 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.45 2ny1 s LEU 3083N 0.52 2.08 0.28 2.70 0.20 -0.34 -1.06 118.68 123.06 2ny1 s LEU 3083Ca -0.11 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.17 2ny1 s LEU 3083Cb -0.16 -1.42 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 2ny1 s LEU 3083CO 0.04 0.05 0.34 -0.13 -0.29 0.00 0.00 176.35 176.36 2ny1 s ARG 3084N 0.96 3.11 -1.23 1.98 3.00 0.46 -1.45 118.95 125.77 2ny1 s ARG 3084Ca -0.04 -0.99 -0.12 0.00 0.00 0.00 0.00 55.73 54.59 2ny1 s ARG 3084Cb -0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 34.95 32.07 2ny1 s ARG 3084CO -0.05 0.27 0.68 0.09 0.00 0.00 0.00 175.30 176.30 2ny1 n ASN 3085N -1.41 -3.35 -4.77 0.23 5.03 -1.14 -4.83 115.26 105.03 2ny1 n ASN 3085Ca -0.05 -0.97 -0.40 0.00 0.87 0.00 0.00 54.58 54.02 2ny1 n ASN 3085Cb 0.58 -3.46 0.00 0.00 -1.02 0.00 0.00 39.78 35.88 2ny1 n ASN 3085CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ny1 s LEU 3086N -6.60 4.25 0.20 3.41 1.43 -0.09 -4.64 118.68 116.63 2ny1 s LEU 3086Ca 0.27 2.88 0.10 0.00 -1.03 0.00 0.00 54.13 56.35 2ny1 s LEU 3086Cb -0.09 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 2ny1 s LEU 3086CO 0.86 -0.91 -0.12 -0.13 0.23 0.00 0.00 176.35 176.28 2ny1 s ARG 3087N -2.18 1.97 0.41 1.70 0.52 -1.26 0.07 118.95 120.18 2ny1 s ARG 3087Ca 0.55 -1.35 0.17 0.00 -0.52 0.00 0.00 55.73 54.58 2ny1 s ARG 3087Cb -0.43 -2.09 1.05 0.00 0.52 0.00 0.00 34.95 34.00 2ny1 s ARG 3087CO 0.57 0.42 1.85 0.66 0.02 0.00 0.00 175.30 178.81 2ny1 h SER 3088N 2.83 0.44 0.44 0.23 4.64 -1.96 0.22 113.55 120.38 2ny1 h SER 3088Ca -0.46 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2ny1 h SER 3088Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ny1 h SER 3088CO 0.54 0.17 0.00 -0.90 -0.87 0.00 0.00 176.83 175.77 2ny1 n ASP 3089N -4.53 0.00 0.00 4.97 5.75 -1.26 -1.72 116.55 119.76 2ny1 n ASP 3089Ca 0.20 0.18 0.14 0.00 -0.01 0.00 0.00 54.79 55.30 2ny1 n ASP 3089Cb 0.69 -0.36 0.76 0.00 -1.03 0.00 0.00 41.12 41.19 2ny1 n ASP 3089CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ny1 n ASP 3090N -1.36 0.00 -4.67 -1.12 10.43 0.78 -4.82 116.55 115.79 2ny1 n ASP 3090Ca 0.07 -0.42 -0.42 0.00 2.57 0.00 0.00 54.79 56.59 2ny1 n ASP 3090Cb 0.17 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 42.92 2ny1 n ASP 3090CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2ny1 s THR 3091N -2.35 3.02 -0.08 -3.53 2.01 -0.70 -4.85 115.64 109.15 2ny1 s THR 3091Ca 0.33 0.22 -0.32 0.00 0.31 0.00 0.00 61.69 62.23 2ny1 s THR 3091Cb 0.19 -3.14 0.12 0.00 0.01 0.00 0.00 72.50 69.68 2ny1 s THR 3091CO 0.39 -0.01 1.18 0.00 -0.69 0.00 0.00 174.62 175.49 2ny1 s ALA 3092N 3.74 -2.07 -0.11 7.40 0.00 -0.79 -4.47 121.76 125.46 2ny1 s ALA 3092Ca 0.82 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.67 2ny1 s ALA 3092Cb -0.41 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2ny1 s ALA 3092CO 0.37 -0.80 0.62 0.08 0.00 0.00 0.00 175.76 176.03 2ny1 s VAL 3093N -2.56 5.09 -0.24 0.00 1.01 0.20 -0.94 120.40 122.94 2ny1 s VAL 3093Ca 0.11 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 2ny1 s VAL 3093Cb 0.01 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2ny1 s VAL 3093CO -0.04 0.25 0.07 -0.31 0.00 0.00 0.00 175.10 175.06 2ny1 s TYR 3094N 0.96 3.10 -0.10 5.22 2.02 0.46 -0.34 117.35 128.68 2ny1 s TYR 3094Ca 0.32 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2ny1 s TYR 3094Cb -0.17 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 2ny1 s TYR 3094CO 0.14 -0.28 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.74 2ny1 s PHE 3095N 1.42 3.01 -0.06 2.71 0.08 0.18 -0.59 117.98 124.73 2ny1 s PHE 3095Ca 0.05 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.94 2ny1 s PHE 3095Cb -0.15 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2ny1 s PHE 3095CO 0.04 0.25 0.32 0.00 -0.10 0.00 0.00 175.22 175.73 2ny1 s ALA 3097N -0.82 0.31 0.20 0.00 0.00 0.48 -0.71 121.76 121.21 2ny1 s ALA 3097Ca 0.20 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2ny1 s ALA 3097Cb -0.15 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2ny1 s ALA 3097CO 0.09 -0.40 0.47 0.20 0.00 0.00 0.00 175.76 176.13 2ny1 s GLY 3098N -2.85 0.14 -0.05 0.00 0.00 -0.04 0.01 107.32 104.52 2ny1 s GLY 3098Ca 0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 2ny1 s GLY 3098CO -0.10 -0.45 0.41 0.54 0.00 0.00 0.00 173.10 173.51 2ny1 s VAL 3099N -3.92 0.03 0.15 1.40 0.11 -0.81 -1.51 120.40 115.86 2ny1 s VAL 3099Ca 0.13 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 2ny1 s VAL 3099Cb -0.00 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 34.08 2ny1 s VAL 3099CO 0.00 -0.16 1.17 -0.47 -3.33 0.00 0.00 175.10 172.31 2ny1 s TYR 3100N -1.00 3.48 -0.57 1.54 5.04 -1.26 -2.01 117.35 122.56 2ny1 s TYR 3100Ca -0.10 1.44 0.11 0.00 -2.44 0.00 0.00 57.07 56.08 2ny1 s TYR 3100Cb -0.04 -3.38 -0.11 0.00 0.35 0.00 0.00 41.96 38.78 2ny1 s TYR 3100CO 0.05 -1.05 0.49 0.39 -1.34 0.00 0.00 175.55 174.08 2ny1 n GLU 3101N 2.80 3.24 0.00 4.97 -0.58 0.56 -4.84 120.64 126.79 2ny1 n GLU 3101Ca 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2ny1 n GLU 3101Cb 0.45 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 2ny1 n GLU 3101CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ny1 n GLY 3102N 1.23 -0.80 3.15 0.62 0.00 -1.25 -1.54 105.19 106.59 2ny1 n GLY 3102Ca 0.02 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 2ny1 n GLY 3102CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ny1 n GLU 3103N -0.18 1.47 -0.25 1.61 1.02 -1.25 -4.72 120.64 118.34 2ny1 n GLU 3103Ca 0.00 -1.88 0.01 0.00 -0.02 0.00 0.00 57.16 55.27 2ny1 n GLU 3103Cb 0.00 -2.97 0.23 0.00 -0.02 0.00 0.00 31.44 28.68 2ny1 n GLU 3103CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ny1 h ALA 3104N 8.10 1.45 0.00 0.62 0.00 -1.76 -0.11 119.26 127.55 2ny1 h ALA 3104Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ny1 h ALA 3104Cb 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ny1 h ALA 3104CO 1.91 0.51 0.00 0.38 0.00 0.00 0.00 179.25 182.04 2ny1 h ASP 3105N 1.06 0.00 -0.45 0.00 2.03 -1.84 -0.15 116.42 117.07 2ny1 h ASP 3105Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 2ny1 h ASP 3105Cb -0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 2ny1 h ASP 3105CO -0.07 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.52 2ny1 n GLU 3106N -2.59 3.43 -0.92 4.15 -0.58 -0.14 -4.96 120.64 119.02 2ny1 n GLU 3106Ca -0.00 -2.73 0.00 0.00 -0.42 0.00 0.00 57.16 54.01 2ny1 n GLU 3106Cb 0.17 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 2ny1 n GLU 3106CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ny1 n GLY 3107N 0.41 0.71 3.70 0.62 0.00 -0.07 -5.03 105.19 105.52 2ny1 n GLY 3107Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2ny1 n GLY 3107CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ny1 s GLU 3108N -0.08 4.36 -0.24 1.61 2.12 -0.64 -4.96 118.70 120.88 2ny1 s GLU 3108Ca 0.00 0.82 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 2ny1 s GLU 3108Cb 0.00 -3.49 0.13 0.00 0.26 0.00 0.00 34.13 31.02 2ny1 s GLU 3108CO 0.00 -0.05 0.45 -0.47 -0.54 0.00 0.00 175.26 174.64 2ny1 s TYR 3109N 1.23 -0.98 -0.53 5.30 6.14 -1.26 -2.41 117.35 124.85 2ny1 s TYR 3109Ca 0.35 1.32 0.24 0.00 0.64 0.00 0.00 57.07 59.62 2ny1 s TYR 3109Cb -0.17 0.26 0.36 0.00 0.42 0.00 0.00 41.96 42.84 2ny1 s TYR 3109CO 0.15 -0.66 1.42 -0.44 0.64 0.00 0.00 175.55 176.66 2ny1 h ASP 3110N 8.14 0.00 -5.79 4.32 3.32 -1.66 -3.48 116.42 121.27 2ny1 h ASP 3110Ca -0.19 -0.07 -0.34 0.00 0.02 0.00 0.00 57.03 56.45 2ny1 h ASP 3110Cb 1.14 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.83 2ny1 h ASP 3110CO 0.21 0.04 -0.85 -3.20 -1.72 0.00 0.00 179.24 173.71 2ny1 n ASN 3111N -2.49 -4.34 -4.71 6.45 5.15 -1.26 -4.94 115.26 109.11 2ny1 n ASN 3111Ca 0.03 -0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 52.81 2ny1 n ASN 3111Cb 0.48 -4.57 -0.03 0.00 -0.53 0.00 0.00 39.78 35.13 2ny1 n ASN 3111CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2ny1 s ASN 3112N -3.79 7.02 0.00 1.20 0.01 -1.26 -4.95 114.94 113.17 2ny1 s ASN 3112Ca 0.28 2.07 0.22 0.00 -0.71 0.00 0.00 52.86 54.72 2ny1 s ASN 3112Cb -0.06 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 2ny1 s ASN 3112CO 0.78 -0.52 1.04 0.61 -1.51 0.00 0.00 177.10 177.50 2ny1 n GLY 3113N 3.29 -0.62 3.93 0.66 0.00 -1.26 -4.96 105.19 106.23 2ny1 n GLY 3113Ca 0.10 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 2ny1 n GLY 3113CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ny1 s PHE 3114N -2.78 2.99 -0.25 1.61 -0.71 -1.26 -5.08 117.98 112.50 2ny1 s PHE 3114Ca 0.13 0.51 -0.00 0.00 -1.04 0.00 0.00 56.93 56.53 2ny1 s PHE 3114Cb 0.17 -3.11 0.07 0.00 -1.21 0.00 0.00 43.02 38.94 2ny1 s PHE 3114CO 0.73 -1.30 -0.00 -0.51 -1.34 0.00 0.00 175.22 172.80 2ny1 s LEU 3115N -5.21 2.37 -0.13 -1.99 1.43 -1.26 -4.63 118.68 109.26 2ny1 s LEU 3115Ca 0.59 -1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 2ny1 s LEU 3115Cb -0.11 -1.03 -0.25 0.00 0.03 0.00 0.00 46.19 44.83 2ny1 s LEU 3115CO 0.45 -0.29 0.45 0.50 0.23 0.00 0.00 176.35 177.69 2ny1 h LYS 3116N 8.02 0.19 -5.97 1.70 1.63 -1.80 -3.47 116.57 116.87 2ny1 h LYS 3116Ca -0.16 -0.33 -0.68 0.00 -0.85 0.00 0.00 60.65 58.63 2ny1 h LYS 3116Cb 1.07 0.12 -0.21 0.00 -0.60 0.00 0.00 32.23 32.62 2ny1 h LYS 3116CO 0.41 1.16 -0.71 -1.01 -3.45 0.00 0.00 179.45 175.86 2ny1 s HIS 3117N -2.47 2.91 0.00 1.91 3.76 -0.57 -4.97 115.29 115.87 2ny1 s HIS 3117Ca -0.22 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 2ny1 s HIS 3117Cb 0.05 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 2ny1 s HIS 3117CO 0.73 0.21 -0.12 -1.58 -0.85 0.00 0.00 174.74 173.14 2ny1 s TRP 3118N -0.53 1.04 0.94 1.40 0.52 -1.26 -0.86 118.94 120.18 2ny1 s TRP 3118Ca 0.08 -0.23 -0.14 0.00 0.02 0.00 0.00 56.10 55.82 2ny1 s TRP 3118Cb -0.12 -0.66 0.16 0.00 -1.15 0.00 0.00 33.47 31.71 2ny1 s TRP 3118CO 0.02 -0.01 1.21 0.20 0.02 0.00 0.00 176.95 178.39 2ny1 s GLY 3119N -0.48 1.65 0.12 0.98 0.00 0.11 -4.51 107.32 105.19 2ny1 s GLY 3119Ca 0.03 -0.85 0.26 0.00 0.00 0.00 0.00 44.72 44.16 2ny1 s GLY 3119CO -0.00 -0.19 1.79 0.61 0.00 0.00 0.00 173.10 175.30 2ny1 n GLN 3120N -3.77 0.14 0.00 2.90 0.00 -1.26 -4.79 117.38 110.60 2ny1 n GLN 3120Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 57.00 57.28 2ny1 n GLN 3120Cb 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.16 2ny1 n GLN 3120CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ny1 n GLY 3121N 1.06 1.31 3.00 2.61 0.00 -1.26 -5.04 105.19 106.86 2ny1 n GLY 3121Ca 0.05 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 2ny1 n GLY 3121CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ny1 s THR 3122N -2.38 1.38 -0.09 2.61 2.01 0.24 -4.89 115.64 114.51 2ny1 s THR 3122Ca 0.00 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2ny1 s THR 3122Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2ny1 s THR 3122CO 0.00 0.42 1.24 -0.22 -0.69 0.00 0.00 174.62 175.37 2ny1 s LEU 3123N 1.38 4.25 -0.25 4.42 2.96 -1.26 -0.40 118.68 129.78 2ny1 s LEU 3123Ca 0.01 1.79 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2ny1 s LEU 3123Cb -0.13 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.05 2ny1 s LEU 3123CO -0.07 -0.66 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.51 2ny1 s VAL 3124N 2.70 2.42 -0.25 1.68 1.01 -0.12 -0.71 120.40 127.14 2ny1 s VAL 3124Ca 0.56 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2ny1 s VAL 3124Cb -0.24 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2ny1 s VAL 3124CO 0.20 0.13 0.14 -0.89 0.00 0.00 0.00 175.10 174.68 2ny1 s THR 3125N 1.21 5.12 -0.27 3.92 2.01 -0.27 -1.89 115.64 125.47 2ny1 s THR 3125Ca -0.04 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2ny1 s THR 3125Cb -0.18 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.97 2ny1 s THR 3125CO -0.06 0.33 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.49 2ny1 s VAL 3126N 1.28 3.07 0.00 3.82 1.01 -1.26 -0.72 120.40 127.60 2ny1 s VAL 3126Ca 0.07 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 2ny1 s VAL 3126Cb -0.14 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2ny1 s VAL 3126CO 0.06 0.08 0.57 -0.55 0.00 0.00 0.00 175.10 175.25 2ny1 s SER 3127N 1.33 -0.51 0.25 3.32 0.15 -0.24 -4.34 113.70 113.65 2ny1 s SER 3127Ca -0.01 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.28 2ny1 s SER 3127Cb -0.18 0.49 0.90 0.00 -1.71 0.00 0.00 66.02 65.52 2ny1 s SER 3127CO -0.02 -0.65 1.75 0.77 1.20 0.00 0.00 173.24 176.29 2ny1 h SER 3128N 2.98 0.00 -4.13 5.45 4.64 -1.95 -3.36 113.55 117.17 2ny1 h SER 3128Ca -0.29 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 2ny1 h SER 3128Cb 1.18 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.41 2ny1 h SER 3128CO 0.40 0.00 0.45 0.00 -0.87 0.00 0.00 176.83 176.81 2ny1 s ALA 3129N -3.22 2.36 0.08 5.18 0.00 -1.26 -5.03 121.76 119.86 2ny1 s ALA 3129Ca 0.07 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.04 2ny1 s ALA 3129Cb 0.11 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2ny1 s ALA 3129CO 0.51 -1.52 0.18 -1.12 0.00 0.00 0.00 175.76 173.81 2ny1 s SER 3130N -1.74 6.10 0.25 0.00 0.01 -1.26 -5.00 113.70 112.06 2ny1 s SER 3130Ca 0.77 0.16 -0.31 0.00 1.31 0.00 0.00 55.95 57.88 2ny1 s SER 3130Cb -0.31 -1.80 -0.12 0.00 0.21 0.00 0.00 66.02 63.99 2ny1 s SER 3130CO 0.39 0.15 1.67 0.41 0.41 0.00 0.00 173.24 176.27 2ny1 n THR 3131N 0.18 0.47 -3.58 1.44 -1.04 -1.26 -4.72 114.28 105.77 2ny1 n THR 3131Ca -0.06 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.05 61.66 2ny1 n THR 3131Cb 0.52 -1.97 -0.07 0.00 -1.82 0.00 0.00 70.33 66.99 2ny1 n THR 3131CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ny1 s LYS 3132N 0.39 0.94 0.54 -2.82 -2.85 -0.21 -4.96 119.74 110.78 2ny1 s LYS 3132Ca 0.70 0.40 -0.13 0.00 -1.00 0.00 0.00 55.97 55.94 2ny1 s LYS 3132Cb -0.50 0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.66 2ny1 s LYS 3132CO 0.40 -0.25 0.97 0.20 0.10 0.00 0.00 175.35 176.77 2ny1 s GLY 3133N -0.78 1.86 0.51 0.59 0.00 -1.26 -1.64 107.32 106.60 2ny1 s GLY 3133Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.45 2ny1 s GLY 3133CO 0.07 0.26 1.02 2.56 0.00 0.00 0.00 173.10 177.01 2ny1 s PRO 3134N -4.52 3.77 -0.01 2.90 0.04 -1.26 -4.57 135.00 131.35 2ny1 s PRO 3134Ca 0.56 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 2ny1 s PRO 3134Cb -0.10 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2ny1 s PRO 3134CO 0.41 -0.43 0.50 -1.12 0.04 0.00 0.00 177.00 176.39 2ny1 s SER 3135N -2.39 6.88 -0.21 6.66 0.01 0.12 -4.89 113.70 119.88 2ny1 s SER 3135Ca 0.64 1.04 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 2ny1 s SER 3135Cb -0.14 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2ny1 s SER 3135CO 0.25 0.20 -0.13 -0.69 0.41 0.00 0.00 173.24 173.28 2ny1 s VAL 3136N -0.55 2.56 0.02 3.43 1.01 -1.26 -1.07 120.40 124.55 2ny1 s VAL 3136Ca 0.27 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2ny1 s VAL 3136Cb -0.17 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2ny1 s VAL 3136CO 0.15 0.42 -0.22 -0.36 0.00 0.00 0.00 175.10 175.09 2ny1 s PHE 3137N 1.34 2.45 0.36 5.22 0.08 0.06 -4.95 117.98 122.55 2ny1 s PHE 3137Ca 0.04 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.50 2ny1 s PHE 3137Cb -0.14 -1.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.75 2ny1 s PHE 3137CO -0.09 0.15 1.06 -1.25 -0.10 0.00 0.00 175.22 175.00 2ny1 s PRO 3138N -1.16 4.33 -0.87 0.24 0.04 -1.26 -0.18 135.00 136.14 2ny1 s PRO 3138Ca 0.13 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2ny1 s PRO 3138Cb -0.10 -2.76 0.22 0.00 0.04 0.00 0.00 34.50 31.89 2ny1 s PRO 3138CO 0.03 -0.02 0.76 -0.51 0.04 0.00 0.00 177.00 177.30 2ny1 s LEU 3139N -2.23 5.74 0.27 -3.56 1.02 0.23 -4.79 118.68 115.36 2ny1 s LEU 3139Ca 0.53 -3.43 -0.29 0.00 0.02 0.00 0.00 54.13 50.96 2ny1 s LEU 3139Cb -0.25 -1.98 -0.10 0.00 0.02 0.00 0.00 46.19 43.88 2ny1 s LEU 3139CO 0.32 -0.28 1.28 0.00 0.02 0.00 0.00 176.35 177.69 2ny1 s ALA 3140N -0.93 3.50 0.34 4.21 0.00 -1.26 -1.71 121.76 125.91 2ny1 s ALA 3140Ca 0.25 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.36 2ny1 s ALA 3140Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2ny1 s ALA 3140CO -0.10 -0.53 0.00 -2.30 0.00 0.00 0.00 175.76 172.84 2ny1 n PRO 3141N 1.57 1.99 0.00 0.00 -0.02 -1.25 -4.93 135.00 132.36 2ny1 n PRO 3141Ca 0.02 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2ny1 n PRO 3141Cb 0.43 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 2ny1 n PRO 3141CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ny1 n GLY 3148N 2.01 2.68 0.03 -1.23 0.00 -1.26 -4.90 105.19 102.52 2ny1 n GLY 3148Ca 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 2ny1 n GLY 3148CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ny1 n GLY 3149N 1.00 -0.44 3.29 -0.02 0.00 -1.26 -4.94 105.19 102.81 2ny1 n GLY 3149Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2ny1 n GLY 3149CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ny1 s THR 3150N -2.44 1.73 0.05 2.61 -4.23 -1.26 -2.75 115.64 109.34 2ny1 s THR 3150Ca -0.04 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 2ny1 s THR 3150Cb 0.04 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 2ny1 s THR 3150CO 0.39 -0.09 -0.22 0.00 -0.54 0.00 0.00 174.62 174.16 2ny1 s ALA 3151N -1.28 2.46 -0.06 3.99 0.00 0.14 -4.77 121.76 122.24 2ny1 s ALA 3151Ca 0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 2ny1 s ALA 3151Cb -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2ny1 s ALA 3151CO 0.05 0.56 0.10 0.00 0.00 0.00 0.00 175.76 176.46 2ny1 s ALA 3152N -0.89 3.67 0.18 0.00 0.00 -1.26 -0.43 121.76 123.03 2ny1 s ALA 3152Ca 0.13 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2ny1 s ALA 3152Cb -0.10 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.31 2ny1 s ALA 3152CO 0.04 0.65 0.45 -0.48 0.00 0.00 0.00 175.76 176.42 2ny1 s LEU 3153N -1.34 0.32 0.00 0.00 0.05 -0.68 -3.93 118.68 113.11 2ny1 s LEU 3153Ca 0.19 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 53.83 2ny1 s LEU 3153Cb -0.12 1.89 0.00 0.00 -2.05 0.00 0.00 46.19 45.91 2ny1 s LEU 3153CO 0.09 -0.99 0.00 0.61 -0.55 0.00 0.00 176.35 175.51 2ny1 n GLY 3154N -0.29 0.94 3.06 -3.48 0.00 -0.69 -0.34 105.19 104.38 2ny1 n GLY 3154Ca -0.10 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 2ny1 n GLY 3154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ny1 s LEU 3156N -0.40 4.09 -0.39 0.00 2.96 0.75 -1.16 118.68 124.53 2ny1 s LEU 3156Ca 0.03 0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2ny1 s LEU 3156Cb -0.05 -2.14 0.11 0.00 0.50 0.00 0.00 46.19 44.61 2ny1 s LEU 3156CO -0.00 0.02 0.17 -0.69 -1.32 0.00 0.00 176.35 174.54 2ny1 s VAL 3157N 1.27 3.11 0.03 1.68 1.01 0.21 -0.76 120.40 126.95 2ny1 s VAL 3157Ca 0.08 -2.10 0.08 0.00 0.00 0.00 0.00 61.98 60.04 2ny1 s VAL 3157Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2ny1 s VAL 3157CO 0.06 -0.67 -0.24 -0.75 0.00 0.00 0.00 175.10 173.51 2ny1 s LYS 3158N 1.10 1.68 -0.54 2.72 2.20 -0.23 -0.05 119.74 126.62 2ny1 s LYS 3158Ca 0.09 -0.99 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 2ny1 s LYS 3158Cb -0.22 -1.78 -0.00 0.00 -1.51 0.00 0.00 37.83 34.31 2ny1 s LYS 3158CO -0.05 0.47 0.45 -0.25 -0.36 0.00 0.00 175.35 175.61 2ny1 n ASP 3159N 1.98 -2.21 -4.54 1.43 8.00 0.21 -0.70 116.55 120.72 2ny1 n ASP 3159Ca -0.17 -0.29 -0.26 0.00 0.71 0.00 0.00 54.79 54.79 2ny1 n ASP 3159Cb 0.52 -2.61 -0.11 0.00 -0.02 0.00 0.00 41.12 38.91 2ny1 n ASP 3159CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2ny1 s TYR 3160N -3.16 2.39 -0.27 1.24 -0.85 -0.83 -4.41 117.35 111.46 2ny1 s TYR 3160Ca 0.02 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 55.80 2ny1 s TYR 3160Cb -0.00 -1.38 0.10 0.00 0.38 0.00 0.00 41.96 41.05 2ny1 s TYR 3160CO 0.33 0.57 0.88 0.12 -1.52 0.00 0.00 175.55 175.93 2ny1 s PHE 3161N -2.63 -0.63 0.00 -3.49 5.36 -0.65 0.16 117.98 116.10 2ny1 s PHE 3161Ca 0.32 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2ny1 s PHE 3161Cb 0.03 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 2ny1 s PHE 3161CO 0.16 -0.31 0.00 -0.35 -1.46 0.00 0.00 175.22 173.27 2ny1 n PRO 3162N 2.41 0.57 -1.45 10.12 -0.04 -1.26 -1.04 135.00 144.31 2ny1 n PRO 3162Ca -0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 2ny1 n PRO 3162Cb 0.55 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.09 2ny1 n PRO 3162CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ny1 s GLU 3163N -2.20 2.50 0.41 0.54 0.41 -1.26 -4.72 118.70 114.38 2ny1 s GLU 3163Ca 0.00 1.22 0.07 0.00 -0.41 0.00 0.00 54.97 55.85 2ny1 s GLU 3163Cb 0.00 -1.92 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 2ny1 s GLU 3163CO 0.00 -1.46 0.57 -1.25 -0.49 0.00 0.00 175.26 172.62 2ny1 s PRO 3164N -4.65 2.87 0.07 0.39 0.04 -1.26 -4.97 135.00 127.49 2ny1 s PRO 3164Ca 0.63 -1.15 0.09 0.00 0.04 0.00 0.00 61.00 60.60 2ny1 s PRO 3164Cb -0.18 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2ny1 s PRO 3164CO 0.51 -0.24 -0.24 0.08 0.04 0.00 0.00 177.00 177.15 2ny1 s VAL 3165N -2.35 1.97 0.08 -0.36 1.01 -1.26 -4.45 120.40 115.03 2ny1 s VAL 3165Ca 0.53 -1.45 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2ny1 s VAL 3165Cb -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2ny1 s VAL 3165CO 0.33 0.19 -0.27 0.42 0.00 0.00 0.00 175.10 175.77 2ny1 s THR 3166N -0.92 2.20 -0.04 3.92 -4.23 -0.20 -5.00 115.64 111.37 2ny1 s THR 3166Ca 0.10 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2ny1 s THR 3166Cb -0.10 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.85 2ny1 s THR 3166CO 0.03 0.25 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.60 2ny1 s VAL 3167N -0.91 0.72 0.34 2.29 1.01 -1.26 -1.03 120.40 121.56 2ny1 s VAL 3167Ca 0.13 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2ny1 s VAL 3167Cb -0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 2ny1 s VAL 3167CO 0.04 0.25 0.04 -0.94 0.00 0.00 0.00 175.10 174.49 2ny1 s SER 3168N 0.65 2.67 -0.04 3.32 1.04 -0.54 -4.99 113.70 115.82 2ny1 s SER 3168Ca -0.10 -1.37 0.05 0.00 0.48 0.00 0.00 55.95 55.01 2ny1 s SER 3168Cb -0.13 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 2ny1 s SER 3168CO 0.01 -0.56 -0.20 0.26 0.98 0.00 0.00 173.24 173.73 2ny1 s TRP 3169N -3.17 1.93 -1.60 5.02 0.52 -1.26 -0.54 118.94 119.83 2ny1 s TRP 3169Ca 0.36 -0.53 -0.13 0.00 0.02 0.00 0.00 56.10 55.82 2ny1 s TRP 3169Cb 0.09 -1.28 0.11 0.00 -1.15 0.00 0.00 33.47 31.24 2ny1 s TRP 3169CO 0.16 -0.16 0.74 0.09 0.02 0.00 0.00 176.95 177.80 2ny1 n ASN 3170N 2.99 -2.88 -3.10 2.95 3.02 0.47 -0.74 115.26 117.97 2ny1 n ASN 3170Ca -0.17 -0.97 -0.23 0.00 -0.03 0.00 0.00 54.58 53.18 2ny1 n ASN 3170Cb 0.53 -3.04 0.04 0.00 -0.61 0.00 0.00 39.78 36.69 2ny1 n ASN 3170CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ny1 n SER 3171N -2.77 -5.94 0.00 6.41 7.64 -1.26 -1.94 113.62 115.76 2ny1 n SER 3171Ca -0.02 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2ny1 n SER 3171Cb 0.54 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2ny1 n SER 3171CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ny1 n GLY 3172N -1.53 0.78 0.17 0.23 0.00 0.08 -4.92 105.19 100.00 2ny1 n GLY 3172Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2ny1 n GLY 3172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ny1 h ALA 3173N 0.00 0.81 -3.33 4.61 0.00 -1.09 -3.42 119.26 116.84 2ny1 h ALA 3173Ca 0.00 -0.37 -0.68 0.00 0.00 0.00 0.00 54.91 53.86 2ny1 h ALA 3173Cb 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 17.79 17.41 2ny1 h ALA 3173CO 0.00 0.51 -0.71 -1.17 0.00 0.00 0.00 179.25 177.88 2ny1 s LEU 3174N -6.62 3.60 0.00 0.00 2.96 -1.07 -4.92 118.68 112.62 2ny1 s LEU 3174Ca 0.03 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 2ny1 s LEU 3174Cb 0.09 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2ny1 s LEU 3174CO 0.71 -0.20 0.00 0.35 -1.32 0.00 0.00 176.35 175.89 2ny1 n THR 3175N 4.68 0.00 -1.76 3.68 -2.24 -1.26 -4.18 114.28 113.21 2ny1 n THR 3175Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2ny1 n THR 3175Cb 0.46 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2ny1 n THR 3175CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ny1 s SER 3176N -2.78 6.43 -0.26 3.42 0.15 -1.26 -2.54 113.70 116.86 2ny1 s SER 3176Ca 0.00 2.78 0.00 0.00 0.70 0.00 0.00 55.95 59.43 2ny1 s SER 3176Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2ny1 s SER 3176CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2ny1 n GLY 3177N 4.05 0.56 3.75 9.45 0.00 -1.26 -4.77 105.19 116.98 2ny1 n GLY 3177Ca 0.16 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2ny1 n GLY 3177CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ny1 s VAL 3178N -1.96 4.96 -0.21 1.61 1.01 -1.05 -2.41 120.40 122.35 2ny1 s VAL 3178Ca 0.00 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2ny1 s VAL 3178Cb 0.00 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2ny1 s VAL 3178CO 0.00 0.39 -0.04 -1.00 0.00 0.00 0.00 175.10 174.45 2ny1 s HIS 3179N 0.02 1.96 -0.34 5.22 3.76 0.22 -4.98 115.29 121.15 2ny1 s HIS 3179Ca 0.31 -1.40 -0.10 0.00 -0.15 0.00 0.00 55.06 53.72 2ny1 s HIS 3179Cb -0.18 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.11 2ny1 s HIS 3179CO 0.16 -0.70 0.17 0.99 -0.85 0.00 0.00 174.74 174.51 2ny1 s THR 3180N 1.54 4.51 0.49 1.30 2.01 -1.26 -0.18 115.64 124.05 2ny1 s THR 3180Ca -0.03 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.12 2ny1 s THR 3180Cb -0.17 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 2ny1 s THR 3180CO -0.07 -0.07 1.02 -0.36 -0.69 0.00 0.00 174.62 174.45 2ny1 s PHE 3181N 1.57 3.08 0.44 4.92 0.40 -0.46 -5.00 117.98 122.93 2ny1 s PHE 3181Ca 0.03 1.57 -0.25 0.00 -0.60 0.00 0.00 56.93 57.67 2ny1 s PHE 3181Cb -0.18 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.26 2ny1 s PHE 3181CO 0.06 -0.71 1.38 -2.30 0.70 0.00 0.00 175.22 174.35 2ny1 n PRO 3182N -1.11 2.16 -2.09 0.24 -0.02 -1.26 -4.65 135.00 128.28 2ny1 n PRO 3182Ca 0.09 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.98 2ny1 n PRO 3182Cb 0.53 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2ny1 n PRO 3182CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ny1 s ALA 3183N -1.19 2.66 0.08 3.55 0.00 -1.26 -4.84 121.76 120.76 2ny1 s ALA 3183Ca 0.61 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.61 2ny1 s ALA 3183Cb -0.47 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 2ny1 s ALA 3183CO 0.58 -1.01 -0.06 0.14 0.00 0.00 0.00 175.76 175.40 2ny1 s VAL 3184N -1.60 3.61 -0.29 0.00 -7.23 -0.43 -4.95 120.40 109.52 2ny1 s VAL 3184Ca 0.74 -1.11 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 2ny1 s VAL 3184Cb -0.29 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 2ny1 s VAL 3184CO 0.33 0.16 0.58 -0.22 -0.31 0.00 0.00 175.10 175.64 2ny1 s LEU 3185N -2.12 4.12 0.69 1.32 2.96 -1.26 -1.95 118.68 122.43 2ny1 s LEU 3185Ca 0.22 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 2ny1 s LEU 3185Cb -0.11 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.82 2ny1 s LEU 3185CO 0.14 -0.40 1.06 -1.10 -1.32 0.00 0.00 176.35 174.73 2ny1 s GLN 3186N 2.48 3.00 0.27 1.98 -0.21 0.44 -4.94 119.66 122.69 2ny1 s GLN 3186Ca 0.24 0.81 0.21 0.00 0.02 0.00 0.00 55.36 56.63 2ny1 s GLN 3186Cb -0.15 -2.01 1.03 0.00 1.00 0.00 0.00 33.01 32.87 2ny1 s GLN 3186CO 0.10 -1.01 1.65 -1.13 -2.12 0.00 0.00 175.29 172.78 2ny1 n SER 3187N -3.05 0.57 0.00 5.90 3.41 -1.26 -0.56 113.62 118.62 2ny1 n SER 3187Ca 0.07 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 2ny1 n SER 3187Cb 0.54 -0.80 0.70 0.00 -0.26 0.00 0.00 64.21 64.39 2ny1 n SER 3187CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ny1 n SER 3188N -2.20 0.00 0.00 4.04 3.41 -1.26 -4.89 113.62 112.72 2ny1 n SER 3188Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2ny1 n SER 3188Cb 0.12 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2ny1 n SER 3188CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ny1 n GLY 3189N 1.34 0.77 3.82 5.00 0.00 0.27 -4.97 105.19 111.44 2ny1 n GLY 3189Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2ny1 n GLY 3189CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ny1 s LEU 3190N 0.00 3.93 0.40 0.99 1.43 -1.25 -4.85 118.68 119.33 2ny1 s LEU 3190Ca 0.00 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2ny1 s LEU 3190Cb 0.00 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2ny1 s LEU 3190CO 0.00 0.10 0.65 -0.31 0.23 0.00 0.00 176.35 177.02 2ny1 s TYR 3191N -1.63 3.52 -0.16 0.29 2.02 0.12 -0.42 117.35 121.09 2ny1 s TYR 3191Ca 0.31 0.57 -0.13 0.00 -0.37 0.00 0.00 57.07 57.45 2ny1 s TYR 3191Cb -0.11 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2ny1 s TYR 3191CO 0.24 -0.03 0.42 0.45 -1.57 0.00 0.00 175.55 175.06 2ny1 s SER 3192N -3.97 -0.46 0.08 2.29 0.15 -0.83 -0.62 113.70 110.34 2ny1 s SER 3192Ca 0.43 0.86 -0.07 0.00 0.70 0.00 0.00 55.95 57.88 2ny1 s SER 3192Cb -0.10 0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 2ny1 s SER 3192CO 0.39 -0.16 0.14 -1.48 1.20 0.00 0.00 173.24 173.33 2ny1 s LEU 3193N 0.54 1.68 0.03 3.45 0.05 0.93 -1.31 118.68 124.05 2ny1 s LEU 3193Ca -0.03 -0.72 0.05 0.00 0.05 0.00 0.00 54.13 53.48 2ny1 s LEU 3193Cb -0.04 0.83 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 2ny1 s LEU 3193CO -0.03 -0.69 -0.08 -0.44 -0.55 0.00 0.00 176.35 174.56 2ny1 s SER 3194N -2.83 4.50 -0.09 1.48 0.01 -1.26 0.67 113.70 116.17 2ny1 s SER 3194Ca 0.05 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.12 2ny1 s SER 3194Cb 0.05 -0.98 -0.00 0.00 0.21 0.00 0.00 66.02 65.30 2ny1 s SER 3194CO -0.10 0.25 -0.23 -0.55 0.41 0.00 0.00 173.24 173.01 2ny1 s SER 3195N -1.63 2.99 0.14 2.44 0.15 -0.31 -1.35 113.70 116.13 2ny1 s SER 3195Ca 0.18 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.36 2ny1 s SER 3195Cb -0.11 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 2ny1 s SER 3195CO 0.09 0.17 -0.13 0.68 1.20 0.00 0.00 173.24 175.25 2ny1 s VAL 3196N 0.24 1.34 -0.10 4.45 -7.23 0.75 -0.71 120.40 119.14 2ny1 s VAL 3196Ca -0.15 -1.88 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2ny1 s VAL 3196Cb -0.17 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.11 2ny1 s VAL 3196CO 0.07 -0.54 0.25 0.54 -0.31 0.00 0.00 175.10 175.12 2ny1 s VAL 3197N -2.59 -0.00 -0.16 1.32 0.11 0.53 0.68 120.40 120.29 2ny1 s VAL 3197Ca 0.13 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.13 2ny1 s VAL 3197Cb -0.02 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2ny1 s VAL 3197CO 0.03 0.01 0.08 0.42 -3.33 0.00 0.00 175.10 172.30 2ny1 s THR 3198N 0.27 4.93 0.13 5.04 -4.23 -1.01 -1.69 115.64 119.07 2ny1 s THR 3198Ca -0.01 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2ny1 s THR 3198Cb -0.03 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 2ny1 s THR 3198CO -0.01 0.50 -0.08 0.68 -0.54 0.00 0.00 174.62 175.17 2ny1 s VAL 3199N 0.02 0.93 0.28 2.29 -7.23 0.43 -4.78 120.40 112.32 2ny1 s VAL 3199Ca 0.07 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 2ny1 s VAL 3199Cb -0.12 -1.80 -0.13 0.00 0.56 0.00 0.00 36.38 34.89 2ny1 s VAL 3199CO 0.01 -0.78 1.45 -2.65 -0.31 0.00 0.00 175.10 172.82 2ny1 n PRO 3200N -0.14 2.28 0.26 4.82 -0.02 -1.26 0.23 135.00 141.18 2ny1 n PRO 3200Ca -0.11 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.34 2ny1 n PRO 3200Cb 0.61 -2.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.20 2ny1 n PRO 3200CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ny1 h SER 3201N 4.09 0.00 0.58 2.55 4.64 -1.82 -2.25 113.55 121.35 2ny1 h SER 3201Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2ny1 h SER 3201Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2ny1 h SER 3201CO 0.74 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.20 2ny1 n SER 3202N -3.15 0.00 0.10 4.97 3.41 -1.26 -3.30 113.62 114.39 2ny1 n SER 3202Ca 0.01 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2ny1 n SER 3202Cb 0.34 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2ny1 n SER 3202CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ny1 n SER 3203N -1.35 0.83 -4.75 4.04 2.88 -0.85 -4.80 113.62 109.62 2ny1 n SER 3203Ca 0.10 0.29 -0.41 0.00 -1.33 0.00 0.00 58.87 57.52 2ny1 n SER 3203Cb 0.23 0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2ny1 n SER 3203CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2ny1 s LEU 3204N -5.19 4.44 0.00 2.46 1.43 -1.21 -0.79 118.68 119.82 2ny1 s LEU 3204Ca 0.00 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2ny1 s LEU 3204Cb 0.10 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2ny1 s LEU 3204CO 0.78 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2ny1 n GLY 3205N 1.58 3.21 0.50 -3.19 0.00 -1.26 -4.79 105.19 101.24 2ny1 n GLY 3205Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2ny1 n GLY 3205CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ny1 n THR 3206N -1.19 1.35 -2.91 2.61 -2.24 -1.09 -5.02 114.28 105.80 2ny1 n THR 3206Ca 0.00 0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.63 2ny1 n THR 3206Cb 0.00 -2.00 -0.04 0.00 -2.10 0.00 0.00 70.33 66.19 2ny1 n THR 3206CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2ny1 s GLN 3207N -2.48 4.49 0.04 -0.78 2.00 0.03 -5.05 119.66 117.91 2ny1 s GLN 3207Ca -0.16 1.11 -0.14 0.00 -2.00 0.00 0.00 55.36 54.16 2ny1 s GLN 3207Cb 0.02 -3.45 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 2ny1 s GLN 3207CO 0.24 0.02 0.43 0.95 -0.50 0.00 0.00 175.29 176.43 2ny1 s THR 3208N 0.88 5.01 -0.14 -0.34 -4.23 -1.26 -4.68 115.64 110.88 2ny1 s THR 3208Ca 0.44 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 2ny1 s THR 3208Cb -0.19 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.95 2ny1 s THR 3208CO 0.22 0.48 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.28 2ny1 s TYR 3209N -1.19 2.55 -0.11 3.99 2.02 -1.26 -4.99 117.35 118.37 2ny1 s TYR 3209Ca 0.27 -1.34 0.02 0.00 -0.37 0.00 0.00 57.07 55.65 2ny1 s TYR 3209Cb -0.16 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2ny1 s TYR 3209CO 0.15 -0.64 -0.15 0.42 -1.57 0.00 0.00 175.55 173.76 2ny1 s ILE 3210N 1.00 1.50 -0.12 2.71 1.01 -1.26 -0.57 121.20 125.47 2ny1 s ILE 3210Ca -0.03 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 2ny1 s ILE 3210Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2ny1 s ILE 3210CO -0.05 0.44 0.42 0.00 0.00 0.00 0.00 174.94 175.75 2ny1 s ASN 3212N 0.38 5.72 -0.13 0.00 -0.87 0.30 -0.83 114.94 119.51 2ny1 s ASN 3212Ca 0.23 0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.58 2ny1 s ASN 3212Cb -0.15 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2ny1 s ASN 3212CO 0.09 0.09 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.80 2ny1 s VAL 3213N 0.91 2.20 -0.08 1.60 1.01 0.14 -1.46 120.40 124.73 2ny1 s VAL 3213Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2ny1 s VAL 3213Cb -0.13 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2ny1 s VAL 3213CO 0.03 0.55 -0.24 0.21 0.00 0.00 0.00 175.10 175.65 2ny1 s ASN 3214N 0.64 3.01 -0.35 3.32 2.47 -0.19 -0.50 114.94 123.34 2ny1 s ASN 3214Ca -0.11 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 52.65 2ny1 s ASN 3214Cb -0.16 -1.15 0.11 0.00 -1.45 0.00 0.00 41.25 38.60 2ny1 s ASN 3214CO 0.02 0.19 0.14 -2.28 -3.72 0.00 0.00 177.10 171.45 2ny1 s HIS 3215N 0.15 1.78 0.20 0.43 5.65 -0.24 -1.04 115.29 122.23 2ny1 s HIS 3215Ca -0.13 -1.95 -0.10 0.00 0.25 0.00 0.00 55.06 53.14 2ny1 s HIS 3215Cb -0.16 -1.75 0.15 0.00 -1.18 0.00 0.00 32.58 29.63 2ny1 s HIS 3215CO 0.07 -0.85 1.83 -0.22 -0.65 0.00 0.00 174.74 174.92 2ny1 h LYS 3216N 7.66 1.03 -0.75 2.88 1.63 -1.80 -0.80 116.57 126.42 2ny1 h LYS 3216Ca -0.09 -0.11 0.11 0.00 -0.85 0.00 0.00 60.65 59.71 2ny1 h LYS 3216Cb 0.99 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.36 2ny1 h LYS 3216CO 0.46 0.75 0.49 -1.35 -3.45 0.00 0.00 179.45 176.36 2ny1 h PRO 3217N 1.03 0.59 -0.02 1.90 0.11 -1.92 0.72 132.00 134.41 2ny1 h PRO 3217Ca 0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2ny1 h PRO 3217Cb 0.01 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2ny1 h PRO 3217CO -0.05 0.39 -0.19 -1.13 -0.21 0.00 0.00 178.00 176.81 2ny1 n SER 3218N -4.50 2.50 -3.52 -2.05 3.41 -1.18 -4.97 113.62 103.32 2ny1 n SER 3218Ca 0.13 -1.76 -0.21 0.00 -0.26 0.00 0.00 58.87 56.77 2ny1 n SER 3218Cb 0.37 0.19 0.08 0.00 -0.26 0.00 0.00 64.21 64.59 2ny1 n SER 3218CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ny1 n ASN 3219N 0.71 -4.48 -4.55 4.04 5.15 0.25 -4.88 115.26 111.50 2ny1 n ASN 3219Ca 0.12 -0.57 -0.33 0.00 -0.60 0.00 0.00 54.58 53.20 2ny1 n ASN 3219Cb 0.53 -5.07 -0.12 0.00 -0.53 0.00 0.00 39.78 34.59 2ny1 n ASN 3219CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2ny1 s THR 3220N -3.34 3.45 -0.05 -0.44 -1.32 -0.38 -5.01 115.64 108.55 2ny1 s THR 3220Ca 0.33 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 60.15 2ny1 s THR 3220Cb -0.15 -2.41 0.03 0.00 -1.51 0.00 0.00 72.50 68.46 2ny1 s THR 3220CO 0.73 0.55 0.04 -0.75 -2.21 0.00 0.00 174.62 172.98 2ny1 s LYS 3221N -0.92 0.17 -0.04 7.08 2.36 -1.26 -1.08 119.74 126.05 2ny1 s LYS 3221Ca 0.13 0.28 0.06 0.00 -2.55 0.00 0.00 55.97 53.89 2ny1 s LYS 3221Cb -0.11 -0.67 -0.01 0.00 -1.05 0.00 0.00 37.83 35.99 2ny1 s LYS 3221CO 0.02 -0.32 -0.22 0.08 1.55 0.00 0.00 175.35 176.47 2ny1 s VAL 3222N 2.08 1.80 -0.22 4.02 1.01 0.35 -4.99 120.40 124.45 2ny1 s VAL 3222Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ny1 s VAL 3222Cb -0.12 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2ny1 s VAL 3222CO -0.04 0.51 -0.16 -1.81 0.00 0.00 0.00 175.10 173.60 2ny1 s ASP 3223N -0.22 3.73 -0.21 3.32 -0.00 -1.26 0.28 116.67 122.32 2ny1 s ASP 3223Ca 0.00 -1.00 0.01 0.00 -0.00 0.00 0.00 52.55 51.56 2ny1 s ASP 3223Cb -0.12 -1.50 0.03 0.00 -0.00 0.00 0.00 42.92 41.33 2ny1 s ASP 3223CO 0.02 -0.09 -0.16 -0.75 -0.00 0.00 0.00 175.17 174.19 2ny1 s LYS 3224N 1.21 2.82 0.04 8.23 2.47 -0.01 -4.95 119.74 129.55 2ny1 s LYS 3224Ca -0.02 -0.95 -0.30 0.00 -1.56 0.00 0.00 55.97 53.14 2ny1 s LYS 3224Cb -0.16 -2.71 -0.04 0.00 -1.46 0.00 0.00 37.83 33.45 2ny1 s LYS 3224CO -0.09 -0.31 1.09 0.21 0.16 0.00 0.00 175.35 176.40 2ny1 s LYS 3225N 1.26 4.50 -0.31 4.03 2.20 -1.26 -1.01 119.74 129.14 2ny1 s LYS 3225Ca 0.01 1.60 -0.03 0.00 -0.36 0.00 0.00 55.97 57.19 2ny1 s LYS 3225Cb -0.15 -3.40 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2ny1 s LYS 3225CO -0.10 -0.14 0.03 0.08 -0.36 0.00 0.00 175.35 174.86 2ny1 s VAL 3226N 0.99 3.15 0.17 4.02 1.01 0.27 -4.93 120.40 125.07 2ny1 s VAL 3226Ca 0.55 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2ny1 s VAL 3226Cb -0.25 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ny1 s VAL 3226CO 0.29 -0.14 0.01 -1.61 0.00 0.00 0.00 175.10 173.64 2ny1 s GLU 3227N 1.28 2.45 0.05 2.72 2.02 -1.26 -4.38 118.70 121.57 2ny1 s GLU 3227Ca -0.04 -1.08 -0.10 0.00 0.02 0.00 0.00 54.97 53.77 2ny1 s GLU 3227Cb -0.20 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 2ny1 s GLU 3227CO -0.00 0.46 1.07 -2.30 0.02 0.00 0.00 175.26 174.51 2ny1 n PRO 3228N -0.11 -0.14 0.00 0.39 -0.02 -1.26 -4.44 135.00 129.42 2ny1 n PRO 3228Ca -0.10 1.06 0.03 0.00 -2.02 0.00 0.00 63.50 62.48 2ny1 n PRO 3228Cb 0.55 -1.58 0.19 0.00 -0.02 0.00 0.00 33.50 32.65 2ny1 n PRO 3228CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65